Proton NMR relaxation in hydrous melts

International Nuclear Information System (INIS)

Braunstein, J.; Bacarella, A.L.; Benjamin, B.M.; Brown, L.L.; Girard, C.

1976-01-01

Pulse and continuous wave NMR measurements are reported for protons in hydrous melts of calcium nitrate at temperatures between -4 and 120 0 C. Although measured in different temperature ranges, spin-lattice (T 1 ) and spin-spin (T 2 ) relaxation times appear to be nearly equal to each other and proportional to the self-diffusion coefficients of solute metal cations such as Cd 2+ . At temperatures near 50 0 C, mean Arrhenius coefficients Δ H/sub T 1 / (kcal/mol) are 7.9, 7.3, and 4.8, respectively, for melts containing 2.8, 4.0, and 8.0 moles of water per mole of calcium nitrate, compared to 4.6 kcal/mol for pure water. Temperature dependence of T 1 and T 2 in Ca(NO 3 ) 2 -2.8 H 2 O between -4 and 120 0 C are non-Arrhenius and can be represented by a Fulcher-type equation with a ''zero mobility temperature'' (T 0 ) of 225 0 K, close to the value of T 0 for solute diffusion, electrical conductance and viscosity. Resolution of the relaxation rates into correlation times for intramolecular (rotational) and intermolecular (translational) diffusional motion is discussed in terms of the Bloembergen-Purcell-Pound and more recent models for dipolar relaxation

Alternating spin chain compound AgVOAsO4 probed by 75As NMR

Science.gov (United States)

Ahmed, N.; Khuntia, P.; Ranjith, K. M.; Rosner, H.; Baenitz, M.; Tsirlin, A. A.; Nath, R.

2017-12-01

75As NMR measurements were performed on a polycrystalline sample of spin-1/2 alternating spin chain Heisenberg antiferromagnet AgVOAsO4. The temperature-dependent NMR shift K (T ) , which is a direct measure of the intrinsic spin susceptibility, agrees very well with the spin-1/2 alternating-chain model, justifying the assignment of the spin lattice. From the analysis of K (T ) , magnetic exchange parameters were estimated as follows: the leading exchange J /kB≃38.4 K and the alternation ratio α =J'/J ≃0.69 . The transferred hyperfine coupling between the 75As nucleus and V4 + spins obtained by comparing the NMR shift with the bulk susceptibility amounts to Ahf≃3.3 TμB. The effect of interchain couplings on the low-temperature activated behavior of K (T ) and the spin-lattice relaxation rate 1 /T1 is identified.

Quantum mechanical alternative to Arrhenius equation in the interpretation of proton spin-lattice relaxation data for the methyl groups in solids

KAUST Repository

Bernatowicz, Piotr; Shkurenko, Aleksander; Osior, Agnieszka; Kamieński, Bohdan; Szymański, Sławomir

2015-01-01

Theory of nuclear spin-lattice relaxation in methyl groups in solids has been a recurring problem in nuclear magnetic resonance (NMR) spectroscopy. The current view is that, except for extreme cases of low torsional barriers where special quantum

Some exercises in quantitative NMR imaging

International Nuclear Information System (INIS)

Bakker, C.J.G.

1985-01-01

The articles represented in this thesis result from a series of investigations that evaluate the potential of NMR imaging as a quantitative research tool. In the first article the possible use of proton spin-lattice relaxation time T 1 in tissue characterization, tumor recognition and monitoring tissue response to radiotherapy is explored. The next article addresses the question whether water proton spin-lattice relaxation curves of biological tissues are adequately described by a single time constant T 1 , and analyzes the implications of multi-exponentiality for quantitative NMR imaging. In the third article the use of NMR imaging as a quantitative research tool is discussed on the basis of phantom experiments. The fourth article describes a method which enables unambiguous retrieval of sign information in a set of magnetic resonance images of the inversion recovery type. The next article shows how this method can be adapted to allow accurate calculation of T 1 pictures on a pixel-by-pixel basis. The sixth article, finally, describes a simulation procedure which enables a straightforward determination of NMR imaging pulse sequence parameters for optimal tissue contrast. (orig.)

An NMR thermometer for cryogenic magic-angle spinning NMR: The spin-lattice relaxation of 127I in cesium iodide

Science.gov (United States)

Sarkar, Riddhiman; Concistrè, Maria; Johannessen, Ole G.; Beckett, Peter; Denning, Mark; Carravetta, Marina; al-Mosawi, Maitham; Beduz, Carlo; Yang, Yifeng; Levitt, Malcolm H.

2011-10-01

The accurate temperature measurement of solid samples under magic-angle spinning (MAS) is difficult in the cryogenic regime. It has been demonstrated by Thurber et al. (J. Magn. Reson., 196 (2009) 84-87) [10] that the temperature dependent spin-lattice relaxation time constant of 79Br in KBr powder can be useful for measuring sample temperature under MAS over a wide temperature range (20-296 K). However the value of T1 exceeds 3 min at temperatures below 20 K, which is inconveniently long. In this communication, we show that the spin-lattice relaxation time constant of 127I in CsI powder can be used to accurately measure sample temperature under MAS within a reasonable experimental time down to 10 K.

Proton and deuteron NMR study of PTFE ionomer membranes

Energy Technology Data Exchange (ETDEWEB)

Xu, G; Pak, Y S [Dept. of Materials Science, McMaster Univ., Hamilton, Ontario (Canada)

1992-02-01

Proton and deuteron NMR have been conducted to investigate the ionic motion in perfluorinated ionomer membranes from Dow Chemical (XUS) and DuPont (Nafion{sup R}). Two proton relaxation peaks were found in the XUS specimen absorbed with H{sub 2}O. The major (narrow) peak presented a spin-lattice relaxation time (T{sub 1}) of 107 ms while the minor (broader) one gave much longer T{sub 1}. While the former was attributed to the water molecules involved in restricted motion, the latter was expected to be associated with the protons located in the vicinity of the sulfonate groups. Similar to the previous results from the others, only a single peak was detected in Nafion{sup R} in {sup 1}H spectra, indicating that the protons in the different environments were engaging rapid exchange within NMR time scale. In contrast to the inverse proportion dependence of the linewidth on the water sorption in Nafion{sup R}, the major line of the XUS membrane exhibited insensitive linewidth dependence on the variation of H{sub 2}O concentration. The difference was attributed to the existence of narrow breaths of the pores in XUS sample, such that free water contribution to the enhancement of proton mobility was limited. The {sup 2}H spectra of Nafion{sup R} were found to possess a doublet, due to nuclear quadrupolar interaction. Dow (XUS) membrane treated in at 100% relative humidity (RH) D{sub 2}O presented a single peak with the linewidth insensitive to the amount of heavy water absorbed. An additional rise emerged on the ''shoulder'' of this single peak when treated at 33% RH. It is concluded that XUS membrane does not provide strong hydrogen bonding to eliminate the rapid motion average over the nuclear quadrupole interaction. (orig.).

Complex methyl groups dynamics in [(CH3)4P]3Sb2Br9 (PBA) from low to high temperatures by proton spin-lattice relaxation and narrowing of proton NMR spectrum.

Science.gov (United States)

Latanowicz, L; Medycki, W; Jakubas, R

2009-11-01

Molecular dynamics of a polycrystalline sample of [(CH(3))(4)P](3)Sb(2)Br(9) (PBA) has been studied on the basis of the T(1) (24.7 MHz) relaxation time measurement, the proton second moment of NMR and the earlier published T(1) (90 MHz) relaxation times. The study was performed in a wide range of temperatures (30-337 K). The tunnel splitting omega(T) of the methyl groups was estimated as of low frequency (from kHz to few MHz). The proton spin pairs of the methyl group are known to perform a complex internal motion being a resultant of four components. Three of them involve mass transportation over and through the potential barrier and are characterized by the correlation times tau(3) and tau(T)of the jumps over the barrier and tunnel jumps in the threefold potential of the methyl group and tau(iso) the correlation time of isotropic rotation of the whole TMP cation. For tau(3) and tau(iso) the Arrhenius temperature dependence was assumed, while for tau(T)--the Schrödinger one. The fourth motion causes fluctuations of the tunnel splitting frequency, omega(T), and it is related to the lifetime of the methyl spin at the energy level. The correlation function for this fourth motion (tau(omega) correlation time) has been proposed by Müller-Warmuth et al. In this paper a formula for the correlation function and spectral density of the complex motion made of the above-mentioned four components was derived and used in interpretation of the T(1) relaxation time. The second moment of proton NMR line at temperatures below 50K is four times lower than its value for the rigid structure. The three components of the internal motion characterized by tau(T), tau(H), and tau(iso) were proved to reduce the second moment of the NMR line. The tunnel jumps of the methyl group reduce M(2) at almost 0K, the classical jumps over the barrier reduce M(2) in the vicinity of 50K, while the isotropic motion near 150K. Results of the study on the dynamics of CH(3) groups of TMP cation based on

NMR relaxation times in human brain tumors (preliminary results)

International Nuclear Information System (INIS)

Benoist, L.; Certaines, J. de; Chatel, M.; Menault, F.

1981-01-01

Since the early work of Damadian in 1971, proton NMR studies of tumors has been well documented. Present study concerns the spin-lattice T 1 and spin-spin T 2 relaxation times of normal dog brain according to the histological differentiation and of 35 human benignant or malignant tumors. The results principally show T 2 important variations between white and gray substance in normal brain but no discrimination between malignant and benignant tumors [fr

Novel spin dynamics in ferrimagnetic molecular chains from 1H NMR and μSR spin-lattice relaxation measurements

International Nuclear Information System (INIS)

Micotti, E.; Lascialfari, A.; Rigamonti, A.; Aldrovandi, S.; Caneschi, A.; Gatteschi, D.; Bogani, L.

2004-01-01

The spin dynamics in the helical chain Co(hfac) 2 NITPhOMe has been investigated by 1 H NMR and μSR relaxation. In the temperature range 15< T<60 K, the results are consistent with the relaxation of the homogeneous magnetization. For T≤15 K, NMR and μSR evidence a second spin relaxation mechanism, undetected by the magnetization measurements. From the analysis of these data, insights on this novel relaxation process are derived

Novel spin dynamics in ferrimagnetic molecular chains from 1H NMR and μSR spin-lattice relaxation measurements

Science.gov (United States)

Micotti, E.; Lascialfari, A.; Rigamonti, A.; Aldrovandi, S.; Caneschi, A.; Gatteschi, D.; Bogani, L.

2004-05-01

The spin dynamics in the helical chain Co(hfac) 2NITPhOMe has been investigated by 1H NMR and μSR relaxation. In the temperature range 15NMR and μSR evidence a second spin relaxation mechanism, undetected by the magnetization measurements. From the analysis of these data, insights on this novel relaxation process are derived.

High-resolution proton and carbon-13 NMR of membranes: why sonicate?

International Nuclear Information System (INIS)

Oldfield, E.; Bowers, J.L.; Forbes, J.

1987-01-01

The authors have obtained high-field (11.7-T) proton and carbon-13 Fourier transform (FT) nuclear magnetic resonance (NMR) spectra of egg lecithin and egg lecithin-chloresterol (1:1) multibilayers, using magic-angle sample spinning (MASS) techniques, and sonicated egg lecithin and egg lecithin-cholesterol (1:1) vesicles, using conventional FT NMR methods. Resolution of the proton and carbon-13 MASS NMR spectra of the pure egg lecithin samples is essentially identical with that of sonicated samples, but spectra of the unsonicated lipid, using MASS, can be obtained very much faster than with the more dilute, sonicated systems. With the 1:1 lecithin-cholesterol system, proton MASS NMR spectra are virtually identical with conventional FT spectra of sonicated samples, while the 13 C NMR, the authors demonstrate that most 13 C nuclei in the cholesterol moiety can be monitored, even though these same nuclei are essentially invisible, i.e., are severely broadened, in the corresponding sonicated systems. In addition, 13 C MASS NMR spectra can again be recorded much faster than with sonicated samples, due to concentration effects. Taken together, these results strongly suggest there will seldom be need in the future to resort to ultransonic disruption of lipid bilayer membranes in order to obtain high-resolution proton or carbon-13 NMR spectra

Spin freezing in geometrically frustrated magnetic molecule Fe30 revealed by NMR

International Nuclear Information System (INIS)

Furukawa, Yuji; Borsa, Ferdinando; Fang Xikui; Kögerler, Paul; Micotti, Edoardo; Lascialfari, Alessandro; Kumagai, Ken-ichi

2012-01-01

Static and dynamical properties of Fe 3+ (3d 5 ; S = 5/2) spins in geometrically frustrated magnetic molecule Fe30 have been investigated by nuclear magnetic resonance (NMR) in the temperature range T = 0.1–300 K From a measurement of nuclear spin-lattice relaxation rates as a function of temperature, the fluctuation frequency of Fe 3+ spins is found to decrease with decreasing temperature, indicating spin freezing at low temperatures.

Proton and deuterium NMR experiments in zero field

International Nuclear Information System (INIS)

Millar, J.M.

1986-02-01

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

Evaluation of human thyroid tumors by proton nuclear magnetic resonance

International Nuclear Information System (INIS)

deCertaines, J.; Herry, J.Y.; Lancien, G.; Benoist, L.; Bernard, A.M.; LeClech, G.

1982-01-01

Proton nuclear magnetic resonance (NMR) was used in a study of 40 patients with thyroid tumors following partial or total thyroidectomy. Three patient groups were considered: those with nodules showing increased uptake, those with solitary nodules with decreased uptake, and those with multinodular goiters. Spin-lattice and spin-spin relaxation times (T 1 and T 2 ) were measured on samples of nodular and extranodular tissue from each patient. Increased T 1 and T 2 were observed for benign cold nodules, an increase in T 1 alone for nodules with increased uptake, and a wide fluctuation in T 1 and T 2 for multinodular goiters. The four cancers in the series did not show a distinctive proton NMR pattern in comparison with the other nodular structures studied. The results point to the feasibility of applying NMR techniques to the detection of thyroid disease

Spin Tracking of Polarized Protons in the Main Injector at Fermilab

Energy Technology Data Exchange (ETDEWEB)

Xiao, M. [Fermilab; Lorenzon, W. [Michigan U.; Aldred, C. [Michigan U.

2016-07-01

The Main Injector (MI) at Fermilab currently produces high-intensity beams of protons at energies of 120 GeV for a variety of physics experiments. Acceleration of polarized protons in the MI would provide opportunities for a rich spin physics program at Fermilab. To achieve polarized proton beams in the Fermilab accelerator complex, shown in Fig.1.1, detailed spin tracking simulations with realistic parameters based on the existing facility are required. This report presents studies at the MI using a single 4-twist Si-berian snake to determine the depolarizing spin resonances for the relevant synchrotrons. Results will be presented first for a perfect MI lattice, followed by a lattice that includes the real MI imperfections, such as the measured magnet field errors and quadrupole misalignments. The tolerances of each of these factors in maintaining polariza-tion in the Main Injector will be discussed.

A many-body analysis of NMR in spin-1/2 system

International Nuclear Information System (INIS)

Roy, G.K.; Sinha, S.K.

1977-01-01

The NMR absorption in a spin-1/2 system at finite temperature has been analysed by using the linear response theory and calculating the finite-temperature retarted spin Green's function. In this calculations, the Drone-Fermion representation for the spin operators has been used. A model spin-lattice interaction which is linear in phonon and Fermion operators has been considered, and its effect on a mutually non-interacting spin system has been calculated using the diagrammatic expansions technique. It is found that the complete summing up of a particular class of diagrams yields the Lorentzian shape of the resonance line. (author)

Novel spin dynamics in ferrimagnetic molecular chains from {sup 1}H NMR and {mu}SR spin-lattice relaxation measurements

Energy Technology Data Exchange (ETDEWEB)

Micotti, E. E-mail: micotti@fisicavolta.unipv.it; Lascialfari, A.; Rigamonti, A.; Aldrovandi, S.; Caneschi, A.; Gatteschi, D.; Bogani, L

2004-05-01

The spin dynamics in the helical chain Co(hfac){sub 2}NITPhOMe has been investigated by {sup 1}H NMR and {mu}SR relaxation. In the temperature range 15NMR and {mu}SR evidence a second spin relaxation mechanism, undetected by the magnetization measurements. From the analysis of these data, insights on this novel relaxation process are derived.

Spin manipulation and spin-lattice interaction in magnetic colloidal quantum dots

Science.gov (United States)

Moro, Fabrizio; Turyanska, Lyudmila; Granwehr, Josef; Patanè, Amalia

2014-11-01

We report on the spin-lattice interaction and coherent manipulation of electron spins in Mn-doped colloidal PbS quantum dots (QDs) by electron spin resonance. We show that the phase memory time,TM , is limited by Mn-Mn dipolar interactions, hyperfine interactions of the protons (1H) on the QD capping ligands with Mn ions in their proximity (limit and at low temperature, we achieve a long phase memory time constant TM˜0.9 μ s , thus enabling the observation of Rabi oscillations. Our findings suggest routes to the rational design of magnetic colloidal QDs with phase memory times exceeding the current limits of relevance for the implementation of QDs as qubits in quantum information processing.

pH-Dependent spin state population and 19F NMR chemical shift via remote ligand protonation in an iron(ii) complex.

Science.gov (United States)

Gaudette, Alexandra I; Thorarinsdottir, Agnes E; Harris, T David

2017-11-30

An Fe II complex that features a pH-dependent spin state population, by virtue of a variable ligand protonation state, is described. This behavior leads to a highly pH-dependent 19 F NMR chemical shift with a sensitivity of 13.9(5) ppm per pH unit at 37 °C, thereby demonstrating the potential utility of the complex as a 19 F chemical shift-based pH sensor.

Duchenne muscular dystrophy carriers. Proton spin-lattice relaxation times of skeletal muscles on magnetic resonance imaging

Energy Technology Data Exchange (ETDEWEB)

Matsumura, K.; Nakano, I. (Shimoshizu National Hospital, Chiba (Japan). Dept. of Neurology); Fukuda, N.; Ikehira, H.; Tateno, Y. (National Inst. of Radiological Sciences, Chiba (Japan). Div. of Clinical Research); Aoki, Y. (National Inst. of Radiological Sciences, Chiba (Japan))

1989-11-01

By means of magnetic resonance imaging (MRI), the proton spin-lattice relaxation times (T1 values) of the skeletal muscles were measured in Duchenne muscular dystrophy (DMD) carriers and normal controls. The bound water fraction (BWF) was calculated from the T1 values obtained, according to the fast proton diffusion model. In the DMD carriers, T1 values of the gluteus maximus and quadriceps femoris muscles were significantly higher, and BWFs of these muscles were significantly lower than in normal control. Degenerative muscular changes accompanied by interstitial edema were presumed responsible for this abnormality. No correlation was observed between the muscle T1 and serum creatine kinase values. The present study showed that MRI could be a useful method for studying the dynamic state of water in both normal and pathological skeletal muscles. Its possible utility for DMD carrier detection was discussed briefly. (orig.).

Spin fluctuations in iron based superconductors probed by NMR relaxation rate

Energy Technology Data Exchange (ETDEWEB)

Graefe, Uwe; Kuehne, Tim; Wurmehl, Sabine; Buechner, Bernd; Grafe, Hans-Joachim [IFW Dresden, Institute for Solid State Research, PF 270116, 01171 Dresden (Germany); Hammerath, Franziska [IFW Dresden, Institute for Solid State Research, PF 270116, 01171 Dresden (Germany); Department of Physics ' ' A. Volta' ' , University of Pavia-CNISM, I-27100 Pavia (Italy); Lang, Guillaume [3LPEM-UPR5, CNRS, ESPCI Paris Tech, 10 Rue Vauquelin, 75005 Paris (France)

2013-07-01

We present {sup 75}As nuclear magnetic resonance (NMR) results in F doped LaOFeAs iron pnictides. In the underdoped superconducting samples, pronounced spin fluctuations lead to a peak in the NMR spin lattice relaxation rate, (T{sub 1}T){sup -1}. The peak shows a typical field dependence that indicates a critical slowing of spin fluctuations: it is reduced in height and shifted to higher temperatures. In contrast, a similar peak in the underdoped magnetic samples at the ordering temperature of the spin density wave does not show such a field dependence. Furthermore, the peak is absent in optimally and overdoped samples, suggesting the absence of strong spin fluctuations. Our results indicate a glassy magnetic ordering in the underdoped samples that is in contrast to the often reported Curie Weiss like increase of spin fluctuations towards T{sub c}. Additional measurements of the linewidth and the spin spin relaxation rate are in agreement with such a glassy magnetic ordering that is most likely competing with superconductivity. Our results will be compared to Co doped BaFe{sub 2}As{sub 2}, where a similar peak in (T{sub 1}T){sup -1} has been observed.

Spin-orbit and spin-lattice coupling

International Nuclear Information System (INIS)

Bauer, Gerrit E.W.; Ziman, Timothy; Mori, Michiyasu

2014-01-01

We pursued theoretical research on the coupling of electron spins in the condensed matter to the lattice as mediated by the spin-orbit interaction with special focus on the spin and anomalous Hall effects. (author)

Theory of spin-lattice relaxation of diffusing light nuclei in glasses

International Nuclear Information System (INIS)

Schirmer, A.; Schirmacher, W.

1988-01-01

NMR data of diffusion-induced spin-lattice relaxation in glasses cannot generally be interpreted in the framework of the classical theory of Bloembergen, Purcell and Pound (BPP). Since it is based on exponential density relaxation, generally bnot found in glasses, the BPP formula must be generalized. Here a combination of standard relaxation theory with a hopping model for diffusion in glasses is present. It is shown that the observed anomaties in the NMR data can be explained as a result of anomalous diffusion. 25 refs.; 1 figure

Solid-state NMR analysis of membrane proteins and protein aggregates by proton detected spectroscopy

International Nuclear Information System (INIS)

Zhou, Donghua H.; Nieuwkoop, Andrew J.; Berthold, Deborah A.; Comellas, Gemma; Sperling, Lindsay J.; Tang, Ming; Shah, Gautam J.; Brea, Elliott J.; Lemkau, Luisel R.; Rienstra, Chad M.

2012-01-01

Solid-state NMR has emerged as an important tool for structural biology and chemistry, capable of solving atomic-resolution structures for proteins in membrane-bound and aggregated states. Proton detection methods have been recently realized under fast magic-angle spinning conditions, providing large sensitivity enhancements for efficient examination of uniformly labeled proteins. The first and often most challenging step of protein structure determination by NMR is the site-specific resonance assignment. Here we demonstrate resonance assignments based on high-sensitivity proton-detected three-dimensional experiments for samples of different physical states, including a fully-protonated small protein (GB1, 6 kDa), a deuterated microcrystalline protein (DsbA, 21 kDa), a membrane protein (DsbB, 20 kDa) prepared in a lipid environment, and the extended core of a fibrillar protein (α-synuclein, 14 kDa). In our implementation of these experiments, including CONH, CO(CA)NH, CANH, CA(CO)NH, CBCANH, and CBCA(CO)NH, dipolar-based polarization transfer methods have been chosen for optimal efficiency for relatively high protonation levels (full protonation or 100 % amide proton), fast magic-angle spinning conditions (40 kHz) and moderate proton decoupling power levels. Each H–N pair correlates exclusively to either intra- or inter-residue carbons, but not both, to maximize spectral resolution. Experiment time can be reduced by at least a factor of 10 by using proton detection in comparison to carbon detection. These high-sensitivity experiments are especially important for membrane proteins, which often have rather low expression yield. Proton-detection based experiments are expected to play an important role in accelerating protein structure elucidation by solid-state NMR with the improved sensitivity and resolution.

Nuclear spin-lattice relaxation in nitroxide spin-label EPR

DEFF Research Database (Denmark)

Marsh, Derek

2016-01-01

that the definition of nitrogen nuclear relaxation rate Wn commonly used in the CW-EPR literature for 14N-nitroxyl spin labels is inconsistent with that currently adopted in time-resolved EPR measurements of saturation recovery. Redefinition of the normalised 14N spin-lattice relaxation rate, b = Wn/(2We), preserves...... of spin-lattice relaxation in this three-level system. Expressions for CW-saturation EPR with the revised definitions are summarised. Data on nitrogen nuclear spin-lattice relaxation times are compiled according to the three-level scheme for 14N-relaxation: T1 n = 1/Wn. Results are compared and contrasted...

Interaction study of polyisobutylene with paraffins by NMR using the evaluation of spin-lattice relaxation times for hydrogen nuclei; Estudo da interacao do poliisobutileno com parafinas por RMN no estado solido

Energy Technology Data Exchange (ETDEWEB)

Marques, Rosana G.G. [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil). Centro de Pesquisas - CENPES]. E-mail: garrido@cenpes.petrobras.com.br; Tavares, Maria I.B. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Macromoleculas]. E-mail: mibt@ima.ufrj.br

2001-07-01

The evaluation of spin-lattice relaxation times of {sup 1}H for polyisobutylene/paraffin systems, were obtained using the classic inversion recovery technique, and also through Cross Polarization Magic Angle Spinning (CP/MAS) techniques varying the contact time and also by the delayed contact time pulse sequence. NMR results showed that the polyisobutylene/paraffin systems in which high molecular weight paraffins were used, is heterogeneous. However, for paraffins with low molecular weight, the system presents good homogeneity. (author)

Measurement of sample temperatures under magic-angle spinning from the chemical shift and spin-lattice relaxation rate of 79Br in KBr powder.

Science.gov (United States)

Thurber, Kent R; Tycko, Robert

2009-01-01

Accurate determination of sample temperatures in solid state nuclear magnetic resonance (NMR) with magic-angle spinning (MAS) can be problematic, particularly because frictional heating and heating by radio-frequency irradiation can make the internal sample temperature significantly different from the temperature outside the MAS rotor. This paper demonstrates the use of (79)Br chemical shifts and spin-lattice relaxation rates in KBr powder as temperature-dependent parameters for the determination of internal sample temperatures. Advantages of this method include high signal-to-noise, proximity of the (79)Br NMR frequency to that of (13)C, applicability from 20 K to 320 K or higher, and simultaneity with adjustment of the MAS axis direction. We show that spin-lattice relaxation in KBr is driven by a quadrupolar mechanism. We demonstrate a simple approach to including KBr powder in hydrated samples, such as biological membrane samples, hydrated amyloid fibrils, and hydrated microcrystalline proteins, that allows direct assessment of the effects of frictional and radio-frequency heating under experimentally relevant conditions.

NMR mechanisms in gel dosimetry

International Nuclear Information System (INIS)

Schreiner, L J

2009-01-01

Nuclear magnetic resonance was critical to the development of gel dosimetry, as it established the potential for three dimensional dosimetry with chemical dosimeter systems through magnetic resonance imaging [1]. In the last two decades MRI has served as the gold standard for imaging, while NMR relaxometry has played an important role in the development and understanding of the behaviour of new gel dosimetry systems. Therefore, an appreciation of the relaxation mechanisms determining the NMR behaviour of irradiated gel dosimeters is important for a full comprehension of a considerable component of the literature on gel dosimetry. A number of excellent papers have presented this important theory, this brief review will highlight some of the salient points made previously [1-5]. The spin relaxation of gel dosimeters (which determines the dose dependence in most conventional MR imaging) is determined principally by the protons on water molecules in the system. These water protons exist in different environments, or groups (see Figure 1): on bulk water, on water hydrating the chemical species that are being modified under irradiation, and on water hydrating the gel matrix used to spatially stabilize the dosimeter (e.g., gelatin, agarose, etc). The spin relaxation depends on the inherent relaxation rate of each spin group, that is, on the relaxation rate which would be observed for the specific group if it were isolated. Also, the different water environments are not isolated from each other, and the observed relaxation rate also depends on the rate of exchange of magnetization between the groups, and on the fraction of protons in each group. In fact, the water exchanges quickly between the environments, so that relaxation is in what is usually termed the fast exchange regime. In the limit of fast exchange, the relaxation of the water protons is well characterized by a single exponential and hence by a single apparent relaxation rate. In irradiated gel dosimeters this

Simplifying the complex 1H NMR spectra of fluorine-substituted benzamides by spin system filtering and spin-state selection: multiple-quantum-single-quantum correlation.

Science.gov (United States)

Baishya, Bikash; Reddy, G N Manjunatha; Prabhu, Uday Ramesh; Row, T N Guru; Suryaprakash, N

2008-10-23

The proton NMR spectra of fluorine-substituted benzamides are very complex (Figure 1) due to severe overlap of (1)H resonances from the two aromatic rings, in addition to several short and long-range scalar couplings experienced by each proton. With no detectable scalar couplings between the inter-ring spins, the (1)H NMR spectra can be construed as an overlap of spectra from two independent phenyl rings. In the present study we demonstrate that it is possible to separate the individual spectrum for each aromatic ring by spin system filtering employing the multiple-quantum-single-quantum correlation methodology. Furthermore, the two spin states of fluorine are utilized to simplify the spectrum corresponding to each phenyl ring by the spin-state selection. The demonstrated technique reduces spectral complexity by a factor of 4, in addition to permitting the determination of long-range couplings of less than 0.2 Hz and the relative signs of heteronuclear couplings. The technique also aids the judicious choice of the spin-selective double-quantum-single-quantum J-resolved experiment to determine the long-range homonuclear couplings of smaller magnitudes.

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

International Nuclear Information System (INIS)

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

2015-01-01

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), 1 H MAS NMR spectra of rigid solids still suffer from poor resolution and severe peak overlap caused by the strong 1 H– 1 H homonuclear dipolar couplings and narrow 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) 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 1 H– 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-level structural and dynamical

Lattice vibrations and barrier to hindered rotation in lithium tetradeuteroaluminate by 2H, 7Li and 27Al NMR

International Nuclear Information System (INIS)

Tarasov, V.P.; Kirakosyan, G.A.

1996-01-01

Temperature dependences of 2 H, 7 Li, 27 Al NMR line shape in LiAlD 4 lithium polycrystal tetradeuteroaluminate in the range of 103-420 K have been studied. The quadrupole bond constants and asymmetry parameters of electric field gradient tensor have been measured. The frequencies of lattice vibrations have been evaluated in the framework of the Buyer model. From temperature dependences of spin-lattice relaxation time and 2 H NMR line shape the activation energies of AlD 4 anion decelerated rotation, amounting to 74 and 62 k J/mol respectively, have been determined. 15 refs.; 5 figs.; 2 tabs

Spin-lattice relaxation of individual solid-state spins

Science.gov (United States)

Norambuena, A.; Muñoz, E.; Dinani, H. T.; Jarmola, A.; Maletinsky, P.; Budker, D.; Maze, J. R.

2018-03-01

Understanding the effect of vibrations on the relaxation process of individual spins is crucial for implementing nanosystems for quantum information and quantum metrology applications. In this work, we present a theoretical microscopic model to describe the spin-lattice relaxation of individual electronic spins associated to negatively charged nitrogen-vacancy centers in diamond, although our results can be extended to other spin-boson systems. Starting from a general spin-lattice interaction Hamiltonian, we provide a detailed description and solution of the quantum master equation of an electronic spin-one system coupled to a phononic bath in thermal equilibrium. Special attention is given to the dynamics of one-phonon processes below 1 K where our results agree with recent experimental findings and analytically describe the temperature and magnetic-field scaling. At higher temperatures, linear and second-order terms in the interaction Hamiltonian are considered and the temperature scaling is discussed for acoustic and quasilocalized phonons when appropriate. Our results, in addition to confirming a T5 temperature dependence of the longitudinal relaxation rate at higher temperatures, in agreement with experimental observations, provide a theoretical background for modeling the spin-lattice relaxation at a wide range of temperatures where different temperature scalings might be expected.

TU-EF-BRA-01: NMR and Proton Density MRI of the 1D Patient

International Nuclear Information System (INIS)

Wolbarst, A.

2015-01-01

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common

TU-EF-BRA-01: NMR and Proton Density MRI of the 1D Patient

Energy Technology Data Exchange (ETDEWEB)

Wolbarst, A. [Univ Kentucky (United States)

2015-06-15

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common

NMR determination of the order parameter in proton and deuteron glasses

International Nuclear Information System (INIS)

Blinc, R.; Dolinsek, J.; Zalar, B.

1989-01-01

The inhomogeneous broadening of the ND + deuteron, O-D--O deuteron and 87 Rb quadrapole perturbed NMR spectra in Rb 0.56 (ND 4 ) 0.44 D 2 PO 4 is used for a direct determination of the Edwards-Anderson pseudo-spin glass order parameter. The data provide strong support for a model where the basic difference between magnetic spin glasses and proton or deuteron glasses is the presence of an inherent random field resulting from substitutional disorder which linearly couples to the O-D--O pseudo spins. In these systems we do not deal with a transition from a paraelectric to a pseudo-spin glass phase but rather with a transition from an ergodic pseudo-spin glass phase with a single order parameter q to a non-ergodic pseudo-spin glass phase with an infinite number of order parameters. (author). 11 refs.; 6 figs

TU-EF-BRA-02: Longitudinal Proton Spin Relaxation and T1-Imaging

International Nuclear Information System (INIS)

Lemen, L.

2015-01-01

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common

TU-EF-BRA-02: Longitudinal Proton Spin Relaxation and T1-Imaging

Energy Technology Data Exchange (ETDEWEB)

Lemen, L. [Univ Cincinnati (United States)

2015-06-15

NMR, and Proton Density MRI of the 1D Patient - Anthony Wolbarst Net Voxel Magnetization, m(x,t). T1-MRI; The MRI Device - Lisa Lemen ‘Classical’ NMR; FID Imaging in 1D via k-Space - Nathan Yanasak Spin-Echo; S-E/Spin Warp in a 2D Slice - Ronald Price Magnetic resonance imaging not only reveals the structural, anatomic details of the body, as does CT, but also it can provide information on the physiological status and pathologies of its tissues, like nuclear medicine. It can display high-quality slice and 3D images of organs and vessels viewed from any perspective, with resolution better than 1 mm. MRI is perhaps most extraordinary and notable for the plethora of ways in which it can create unique forms of image contrast, reflective of fundamentally different biophysical phenomena. As with ultrasound, there is no risk from ionizing radiation to the patient or staff, since no X-rays or radioactive nuclei are involved. Instead, MRI harnesses magnetic fields and radio waves to probe the stable nuclei of the ordinary hydrogen atoms (isolated protons) occurring in water and lipid molecules within and around cells. MRI consists, in essence, of creating spatial maps of the electromagnetic environments around these hydrogen nuclei. Spatial variations in the proton milieus can be related to clinical differences in the biochemical and physiological properties and conditions of the associated tissues. Imaging of proton density (PD), and of the tissue proton spin relaxation times known as T1 and T2, all can reveal important clinical information, but they do so with approaches so dissimilar from one another that each is chosen for only certain clinical situations. T1 and T2 in a voxel are determined by different aspects of the rotations and other motions of the water and lipid molecules involved, as constrained by the local biophysical surroundings within and between its cells – and they, in turn, depend on the type of tissue and its state of health. Three other common

Size dependence of 13C nuclear spin-lattice relaxation in micro- and nanodiamonds

Science.gov (United States)

Panich, A. M.; Sergeev, N. A.; Shames, A. I.; Osipov, V. Yu; Boudou, J.-P.; Goren, S. D.

2015-02-01

Size dependence of physical properties of nanodiamond particles is of crucial importance for various applications in which defect density and location as well as relaxation processes play a significant role. In this work, the impact of defects induced by milling of micron-sized synthetic diamonds was studied by magnetic resonance techniques as a function of the particle size. EPR and 13C NMR studies of highly purified commercial synthetic micro- and nanodiamonds were done for various fractions separated by sizes. Noticeable acceleration of 13C nuclear spin-lattice relaxation with decreasing particle size was found. We showed that this effect is caused by the contribution to relaxation coming from the surface paramagnetic centers induced by sample milling. The developed theory of the spin-lattice relaxation for such a case shows good compliance with the experiment.

pH control and rapid mixing in spinning NMR samples

Science.gov (United States)

Yesinowski, James P.; Sunberg, Richard J.; Benedict, James J.

An apparatus is described which permits the acquisition of NMR spectra from spinning 20-mm sample tubes while: (1) constantly monitoring the pH; (2) adding reagents to maintain constant pH (pH-statting); (3) efficiently mixing the added reagent. The apparatus was built to study the spontaneous precipitation of calcium phosphates from supersaturated solutions using 31P NMR. Other applications include the rapid determination of NMR titration curves, and the minimization of temperature gradients in large sample tubes. The apparatus was used to measure the 31P chemical shift titration of dilute phosphoric acid, which yielded accurate shifts for the three species of protonated orthophosphate ion. The bulk magnetic susceptibility of 85% H 3PO 4 relative to a dilute aqueous sample was also measured, and is shown to contribute significantly to chemical shift measurements.

Novel 1H NMR approach to quantitative tissue oximetry using hexamethyldisiloxane.

Science.gov (United States)

Kodibagkar, Vikram D; Cui, Weina; Merritt, Matthew E; Mason, Ralph P

2006-04-01

19F NMR spin-lattice relaxometry of hexafluorobenzene (HFB) has been shown to be a highly sensitive indicator of tumor oxygenation. In this study hexamethyldisiloxane (HMDSO) was identified as a proton NMR analog, and its potential as a probe for investigating dynamic changes in tissue oxygen tension (pO2) was evaluated. HMDSO has a single proton resonance (delta= -0.3 ppm) and the spin-lattice relaxation rate, Rl (= 1/T1) exhibits a linear dependence on pO2: R1 (s(-1)) = 0.1126 + 0.0013* pO2 (torr) at 37 degrees C. To demonstrate application in vivo, HMDSO was administered into healthy rat thigh muscle (100 microl) and tumors (50 microl). Local pO2 was determined by using pulse-burst saturation recovery (PBSR) 1H NMR spectroscopy to assess R1. Water and fat signals were effectively suppressed by frequency-selective excitation of the HMDSO resonance. Rat thigh muscle had a mean baseline pO2 of 35 +/- 11 torr, with a typical stability of +/-3 torr over 20 min, when the rats breathed air. Altering the inhaled gas to oxygen produced a significant increase in pO2 to 100-200 torr. In tumors, altering the inspired gas also produced significant (albeit generally smaller) changes. This new pO2 reporter molecule offers a potentially valuable new tool for investigating pO2 in vivo. (c) 2006 Wiley-Liss, Inc.

NMR of the Shastry-Sutherland lattice SrCu{sub 2}(BO{sub 3}){sub 2} in pulsed magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Stern, R. [National Institute of Chemical Physics and Biophysics, 12618 Tallinn (Estonia); Kohlrautz, J.; Haase, J. [Universitaet Leipzig, Faculty of Physics and Earth Sciences, 04103 Leipzig (Germany); Kuehne, H.; Green, E.L.; Wosnitza, J. [Hochfeld-Magnetlabor Dresden (HLD), Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden (Germany)

2015-07-01

SrCu{sub 2}(BO{sub 3}){sub 2} is a quasi-two-dimensional spin system consisting of Cu{sup 2+} ions which form orthogonal spin-singlet dimers, also known as the Shastry-Sutherland lattice. This system has been studied extensively using a variety of techniques to probe the spin-triplet excitations, including recent magnetization measurements over 100 T. Spectroscopic techniques, such as nuclear magnetic resonance (NMR), can provide further insight into the spin-coupling mechanisms and excitations. We present {sup 11}B NMR spectra measured in pulsed magnetic fields up to 54 T, and compare those with prior results obtained in static magnetic fields at 41 T. Herewith, we prove the feasibility and efficacy of this technique, yielding the capability for extended studies at highest magnetic fields up to the 100 T regime that determine the spin structure in the 1/3 magnetization plateau and beyond.

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

Science.gov (United States)

Marsh, Derek

2016-11-01

Nuclear relaxation is a sensitive monitor of rotational dynamics in spin-label EPR. It also contributes competing saturation transfer pathways in T 1 -exchange spectroscopy, and the determination of paramagnetic relaxation enhancement in site-directed spin labelling. A survey shows that the definition of nitrogen nuclear relaxation rate W n commonly used in the CW-EPR literature for 14 N-nitroxyl spin labels is inconsistent with that currently adopted in time-resolved EPR measurements of saturation recovery. Redefinition of the normalised 14 N spin-lattice relaxation rate, b=W n /(2W e ), preserves the expressions used for CW-EPR, whilst rendering them consistent with expressions for saturation recovery rates in pulsed EPR. Furthermore, values routinely quoted for nuclear relaxation times that are deduced from EPR spectral diffusion rates in 14 N-nitroxyl spin labels do not accord with conventional analysis of spin-lattice relaxation in this three-level system. Expressions for CW-saturation EPR with the revised definitions are summarised. Data on nitrogen nuclear spin-lattice relaxation times are compiled according to the three-level scheme for 14 N-relaxation: T 1 n =1/W n . Results are compared and contrasted with those for the two-level 15 N-nitroxide system. Copyright © 2016 Elsevier Inc. All rights reserved.

NMR study of the molecular nanomagnet [Fe8(N3C6H15)6O2(OH)12]·[Br8·9H2O] in the high-spin magnetic ground state

International Nuclear Information System (INIS)

Furukawa, Y.; Kumagai, K.; Lascialfari, A.; Aldrovandi, S.; Borsa, F.; Sessoli, R.; Gatteschi, D.

2001-01-01

The magnetic molecular cluster [Fe 8 (N 3 C 6 H 15 ) 6 O 2 (OH) 12 ] 8+ [Br 8 ·9H 2 O] 8- , in short Fe8, has been investigated at low temperature by 1 H-NMR and relaxation measurements. Some measurements of 2 D-NMR in partially deuterated Fe8 clusters will also be reported. Upon decreasing temperature the NMR spectra display a very broad and structured signal which is the result of the internal local fields at the proton sites due to the local moments of the Fe(III) ions in the total S=10 magnetic ground state. The proton and deuteron NMR spectra have been analyzed and the different resonance peaks have been attributed to the different proton groups in the molecule. The simulation of the spectra by using a dipolar hyperfine field and the accepted model for the orientation of the Fe(III) local moments do not agree with the experiments even when the magnitude of the local Fe(III) moments is allowed to vary. It is concluded that a positive contact hyperfine interaction of the same order of magnitude as the dipolar interaction is present for all proton sites except the water molecules. The temperature and magnetic field dependence of the nuclear spin-lattice relaxation rate is ascribed to the fluctuations of the local Fe(III) moments, which follow rigidly the fluctuations of the total ground state magnetization of the nanomagnet. By using a simple model already utilized for the Mn12 cluster, we derive the value of the spin phonon coupling constant which determines the lifetime broadening of the different magnetic quantum number m substates of the S=10 ground state. It is shown that the lifetime broadening decreases rapidly on lowering the temperature. When the lifetime becomes longer than the reciprocal of the frequency shift of the proton lines a structure emerges in the NMR spectrum reflecting the ''frozen'' local moment configuration

Phase separation, clustering, and fractal characteristics in glass: A magic-angle-spinning NMR spin-lattice relaxation study

Science.gov (United States)

Sen, S.; Stebbins, J. F.

1994-07-01

A comparative study of the 29Si spin-lattice relaxation behavior (induced by trace amounts of paramagnetic dopants in the glass) in phase-separated Li2Si4O9 and monophasic Li2Si2O5 and Na2Si2O5 glasses has been made in order to understand the nature of clustering and the resulting intermediate-range ordering. Optically clear tetrasilicate and disilicate glasses were prepared with 500 to 2000 ppm of Gd2O3, a paramagnetic dopant. The constituent structural units (Q3 and Q4 species) in all tetrasilicate glasses show strong differential relaxation following a power-law behavior. This is due to preferential partitioning of Gd3+ into the lower silica (Q3-rich) regions of these glasses, indicating the presence of Q species clusters too small to produce optical opalescence (a few nm to perhaps tens of nm). Preliminary results on 6Li spin-lattice relaxation in these glasses support this hypothesis. Differential relaxation becomes more pronounced on annealing due to growth of such clusters. No such differential relaxation was observed in the monophase disilicate glasses. For spin-lattice relaxation induced by direct dipolar coupling to paramagnetic ions, the recovery of magnetization is proportional to time as M(t)~tα where α is a function of the dimensionality D of mass distribution of the constituent Q species around the Gd3+ paramagnetic centers in the glass. For tetrasilicate glasses D~=2.62+/-0.22 and the system behaves as a mass fractal up to a length scale of 2 to 3 nm. D is thus equal to, within error, the theoretical value of 2.6 for an infinite percolation cluster of one type of Q species in another. For disilicate glasses, D~=3.06+/-0.18 which indicates a three-dimensional (and thus nonfractal) mass distribution of the constituent Q species over the same length scale.

Performance of a frozen spin polarised proton target

International Nuclear Information System (INIS)

Russell, F.M.

1977-12-01

The operational performance of a frozen spin polarised proton target specifically designed to give an unusually large angular access to the target has been examined. It is concluded that the mean absolute proton polarisation was held at about 64 +- 2% throughout the majority of HEP data recording. An excessive heat input to the target caused by inadequate cooling of the coaxial cable coupling to the nmr coil in the cavity seriously reduced the dwell-time of the target for HEP data collection. However, the short cooldown time of the target and minimal depolarisation associated with recycling of the target between polarising and HEP data collection positions resulted in only a small overall reduction in mean target polarisation and operational efficiency. (author)

Carbon-13 NMR of glycogen: Hydration response studied by using solids methods

International Nuclear Information System (INIS)

Jackson, C.L.; Bryant, R.G.

1989-01-01

The carbon-13 NMR spectra of glycogen are reported by using the methods of magic-angle sample spinning and high-power proton decoupling to provide a dynamic report on the glucose monomer behavior as a function of hydration. Although the glycogen behaves as a typical polymer in the dry state, addition of water makes a significant difference in the spectral appearance. Water addition decreases the carbon spin-lattice relaxation times by 2 orders of magnitude over the range from 7% to 70% water by weight. The proton-carbon dipole-dipole coupling, which broadens the carbon spectrum and permits cross-polarization spectroscopy, is lost with increasing hydration over this range. By 60% water by weight, scalar decoupling methods are sufficient to achieve a reasonably high-resolution spectrum. Further, at this concentration, the carbon spin-lattice relaxation times are near their minimum values at a resonance frequency of 50.3 MHz, making acquisition of carbon spectra relatively insensitive to intensity distortions associated with saturation effects. Though motional averaging places the spectrum in the solution phase limit, the static spectrum shows a residual broader component that would not necessarily be detected readily by using high-resolution liquid-state experiments

$^{11}$B and $^{27}$Al NMR spin-lattice relaxation and Knight shift study of Mg$_{1-x}$Al$_x$B$_2$. Evidence for anisotropic Fermi surface

OpenAIRE

Papavassiliou, G.; Pissas, M.; Karayanni, M.; Fardis, M.; Koutandos, S.; Prassides, K.

2002-01-01

We report a detailed study of $^{11}$B and $^{27}$Al NMR spin-lattice relaxation rates ($1/T_1$), as well as of $^{27}$Al Knight shift (K) of Mg$_{1-x}$Al$_x$B$_2$, $0\\leq x\\leq 1$. The obtained ($1/T_1T$) and K vs. x plots are in excellent agreement with ab initio calculations. This asserts experimentally the prediction that the Fermi surface is highly anisotropic, consisting mainly of hole-type 2-D cylindrical sheets from bonding $2p_{x,y}$ boron orbitals. It is also shown that the density ...

Spin filtering neutrons with a proton target dynamically polarized using photo-excited triplet states

International Nuclear Information System (INIS)

Haag, M.; Brandt, B. van den; Eichhorn, T.R.; Hautle, P.; Wenckebach, W.Th.

2012-01-01

In a test of principle a neutron spin filter has been built, which is based on dynamic nuclear polarization (DNP) using photo-excited triplet states. This DNP method has advantages over classical concepts as the requirements for cryogenic equipment and magnets are much relaxed: the spin filter is operated in a field of 0.3 T at a temperature of about 100 K and has performed reliably over periods of several weeks. The neutron beam was also used to analyze the polarization of the target employed as a spin filter. We obtained an independent measurement of the proton spin polarization of ∼0.13 in good agreement with the value determined with NMR. Moreover, the neutron beam was used to measure the proton spin polarization as a function of position in the naphthalene sample. The polarization was found to be homogeneous, even at low laser power, in contradiction to existing models describing the photo-excitation process.

Evaluation of PHB nanocomposite by low field NMR

International Nuclear Information System (INIS)

Silva, Mariana Bruno Rocha e; Tavares, Maria Ines Bruno

2009-01-01

Poly(3-hydroxybutyrate) (PHB) based on nanocomposites containing different amounts of a commercial organically modified clay (viscogel B8) were prepared employing solution intercalation method. The relationship among the processing conditions; molecular structure and intermolecular interaction, between both nanocomposite components, were investigated using a nuclear magnetic resonance (NMR), as a part of characterization methodology, which has been used by Tavares et al. It involves the proton spin-lattice relaxation time, T1 H, by solid state nuclear magnetic resonance, employing low field NMR. X-ray diffraction was also employed because it is a conventional technique, generally used to obtain the first information on nanocomposite formation. Changes in PHB crystallinity were observed after the organophilic nanoclay had been incorporated in the polymer matrix. These changes, in the microstructure, were detected by the variation of proton nuclear relaxation time values and by X-ray, which showed an increase in the clay interlamellar space due to the intercalation of the polymer in the clay between lamellae. (author)

Arbitrary spin fermions on the lattice

International Nuclear Information System (INIS)

Bullinaria, J.A.

1985-01-01

Lattice actions are constructed for free Dirac and Majorana fermions of arbitrary (half-integer) spin various extensions of the spin 1/2 Kogut-Susskind, Kaehler and Wilson formalisms. In each case, the spectrum degeneracy and preservation of gauge invariance is analysed, and the equivalence or non-equivalence to previously constructed actions is determined. The Kogut-Susskind and lattice Kaehler actions are then written explicitly in terms of spinors to demonstrate how the degenerate fermions couple on the lattice and how the original spinorial actions are recovered (or to recovered) in the continuum limit. Both degenerate and non-degenerate mass terms are dealt with and the various U(1) invariances of the lattice actions are pointed out

Magic Angle Spinning NMR Metabolomics

Energy Technology Data Exchange (ETDEWEB)

Zhi Hu, Jian

2016-01-01

Nuclear Magnetic Resonance (NMR) spectroscopy is a non-destructive, quantitative, reproducible, untargeted and unbiased method that requires no or minimal sample preparation, and is one of the leading analytical tools for metabonomics research [1-3]. The easy quantification and the no need of prior knowledge about compounds present in a sample associated with NMR are advantageous over other techniques [1,4]. 1H NMR is especially attractive because protons are present in virtually all metabolites and its NMR sensitivity is high, enabling the simultaneous identification and monitoring of a wide range of low molecular weight metabolites.

Software Library for Bruker TopSpin NMR Data Files

Energy Technology Data Exchange (ETDEWEB)

2016-10-14

A software library for parsing and manipulating frequency-domain data files that have been processed using the Bruker TopSpin NMR software package. In the context of NMR, the term "processed" indicates that the end-user of the Bruker TopSpin NMR software package has (a) Fourier transformed the raw, time-domain data (the Free Induction Decay) into the frequency-domain and (b) has extracted the list of NMR peaks.

Introduction to some basic aspects of NMR

International Nuclear Information System (INIS)

Goldman, M.

1992-01-01

The principal interactions are reviewed that are experienced by nuclear spins making magnetic resonance feasible and which disturb it in a way that gives access to the properties of bulk matter. The interactions leading to NMR include Zeeman interaction, dipole-dipole interactions, and exchange interactions. Spin-lattice relaxation relevant to NMR is revisited next. It is followed by an overview of spin temperature. Finally, the care of periodic Hamiltonian is discussed in detail as another contribution to NMR. (R.P.) 48 refs., 12 figs

I. Advances in NMR Signal Processing. II. Spin Dynamics in Quantum Dissipative Systems

Energy Technology Data Exchange (ETDEWEB)

Lin, Yung-Ya [Univ. of California, Berkeley, CA (United States)

1998-11-01

Part I. Advances in IVMR Signal Processing. Improvements of sensitivity and resolution are two major objects in the development of NMR/MRI. A signal enhancement method is first presented which recovers signal from noise by a judicious combination of a priordmowledge to define the desired feasible solutions and a set theoretic estimation for restoring signal properties that have been lost due to noise contamination. The effect of noise can be significantly mitigated through the process of iteratively modifying the noisy data set to the smallest degree necessary so that it possesses a collection of prescribed properties and also lies closest to the original data set. A novel detection-estimation scheme is then introduced to analyze noisy and/or strongly damped or truncated FIDs. Based on exponential modeling, the number of signals is detected based on information estimated using the matrix pencil method. theory and the spectral parameters are Part II. Spin Dynamics in body dipole-coupled systems Quantum Dissipative Systems. Spin dynamics in manyconstitutes one of the most fundamental problems in magnetic resonance and condensed-matter physics. Its many-spin nature precludes any rigorous treatment. ‘Therefore, the spin-boson model is adopted to describe in the rotating frame the influence of the dipolar local fields on a tagged spin. Based on the polaronic transform and a perturbation treatment, an analytical solution is derived, suggesting the existence of self-trapped states in the. strong coupling limit, i.e., when transverse local field >> longitudinal local field. Such nonlinear phenomena originate from the joint action of the lattice fluctuations and the reaction field. Under semiclassical approximation, it is found that the main effect of the reaction field is the renormalization of the Hamiltonian of interest. Its direct consequence is the two-step relaxation process: the spin is initially localized in a quasiequilibrium state, which is later detrapped by

Sup(1)H n.m.r. relaxation of radiation induced crosslinking in polyester-styrene systems

International Nuclear Information System (INIS)

Andreis, M.; Veksli, Z.; Ranogajec, F.; Hedvig, P.

1989-01-01

The structure and dynamics of a network formed by radiation induced crosslinking of polyesters based on 1,6-hexane diol and 1,2-propylene glycol and maleic anhydride (HDF and PGF, respectively) with styrene is studied by proton pulsed n.m.r. spectroscopy. The dependence of spin-lattice, T 1 , and spin-spin, T 2 , relaxation times on the structure of polyester chain, molar ratios of styrene to polyester unsaturations and the radiation doses are analysed in terms of network formation and structure, and their effect on molecular motion. Above the gel point, at temperatures above the glass transition, the presence of two T 2 components reflects the heterogeneity of the network structure in both resins. Parallel with the n.m.r. relaxation measurements the crosslink density was determined from the extracted gel phase or double bonds (fumaric and styrene) participating in the crosslinking process. (author)

3D Spin-Liquid State in an Organic Hyperkagome Lattice of Mott Dimers

Science.gov (United States)

Mizuno, Asato; Shuku, Yoshiaki; Matsushita, Michio M.; Tsuchiizu, Masahisa; Hara, Yuuki; Wada, Nobuo; Shimizu, Yasuhiro; Awaga, Kunio

2017-08-01

We report the first 3D spin liquid state of isotropic organic spins. Structural analysis, and magnetic and heat-capacity measurements were carried out for a chiral organic radical salt, (TBA) 1.5[(-)-NDI -Δ ] (TBA denotes tetrabutylammonium and NDI denotes naphthalene diimide), in which (-)-NDI -Δ forms a K4 structure due to its triangular molecular structure and an intermolecular π -π overlap between the NDI moieties. This lattice was identical to the hyperkagome lattice of S =1 /2 Mott dimers, and should exhibit 3D spin frustration. In fact, even though the high-temperature magnetic susceptibility followed the Curie-Weiss law with a negative Weiss constant of θ =-15 K , the low-temperature magnetic measurements revealed no long-range magnetic ordering down to 70 mK, and suggested the presence of a spin liquid state with a large residual paramagnetism χ0 of 8.5 ×10-6 emu g-1 at the absolute zero temperature. This was supported by the N 14 NMR measurements down to 0.38 K. Further, the low-temperature heat capacities cp down to 68 mK clearly indicated the presence of cp for the spin liquid state, which can be fitted to the power law of T0.62 in the wide temperature range 0.07-4.5 K.

Magnetization transfer from macromolecules to water protons in murine dental tissues as revealed by 500 MHz 1H-NMR

International Nuclear Information System (INIS)

Nakamura, Koji; Era, Seiichi; Nagai, Naoki; Sogami, Masaru; Takasaki, Akihiko; Kato, Kazuo.

1997-01-01

Although much is known about magnetization transfer phenomena in biological soft tissues, little is known about those in hard tissues. Using a 500 MHz 1 H-NMR spectrometer, we studied the spin-lattice relaxation time (T 1 (H 2 O)) and the intermolecular cross-relaxation times (T IS (H 2 O)) from irradiated macromolecular protons to observed water protons in murine lower incisors (hard tissue) and compared with those in murine lens tissue (soft tissue). Mean values for the water content (%) of murine lower incisors and lens tissue were 16.02±2.39 (n=14) and 67.20±4.60 (n=15), respectively. These findings were consistent with the large different in water content between soft tissues and hard tissues. T IS (H 2 O) values obtained by f 2 -irradiation at 7.13 or -4.00 ppm showed no significant difference between lower incisors and lens tissue. Plots of 1/T IS (H 2 O) values vs. tissue dry weight (W(%)) for lower incisor tissue approximated a straight line with slope approximately equal for that obtained for lens tissue. These results suggest that the state of water in hard tissue may be similar to that in soft tissues, in spite of the significant difference in water content. Thus, saturation transfer NMR techniques such as measurement of T IS (H 2 O) values may be applicable to the study of water-macromolecule interactions in both biological soft and hard tissues. (author)

Resonances in field-cycling NMR on molecular crystals. (reversible) Spin dynamics or (irreversible) relaxation?; Resonanzen in Field-Cycling-NMR an Molekuelkristallen. (reversible) Spindynamik oder (irreversible) Relaxation?

Energy Technology Data Exchange (ETDEWEB)

Tacke, Christian

2015-07-01

Multi spin systems with spin 1/2 nuclei and dipolar coupled quadrupolar nuclei can show so called ''quadrupolar dips''. There are two main reasons for this behavior: polarization transfer and relaxation. They look quite alike and without additional research cannot be differentiated easily in most cases. These two phenomena have quite different physical and theoretical backgrounds. For no or very slow dynamics, polarization transfer will take place, which is energy conserving inside the spin system. This effect can entirely be described using quantum mechanics on the spin system. Detailed knowledge about the crystallography is needed, because this affects the relevant hamiltonians directly. For systems with fast enough dynamics, relaxation takes over, and the energy flows from the spin system to the lattice; thus a more complex theoretical description is needed. This description has to include a dynamic model, usually in the form of a spectral density function. Both models should include detailed modelling of the complete spin system. A software library was developed to be able to model complex spin systems. It allows to simulate polarization transfer or relaxation effects. NMR measurements were performed on the protonic conductor K{sub 3}H(SO{sub 4}){sub 2}. A single crystal shows sharp quadrupolar dips at room temperature. Dynamics could be excluded using relaxation measurements and literature values. Thus, a polarization transfer analysis was used to describe those dips with good agreement. As a second system, imidazolium based molecular crystals were analyzed. The quadrupolar dips were expected to be caused by polarization transfer; this was carefully analyzed and found not to be true. A relaxation based analysis shows good agreement with the measured data in the high temperature area. It leverages a two step spectral density function, which indicates two distinct dynamic processes happening in this system.

NMR studies at high magnetic fields of LiVGe_2O_6, a quasi one-dimensional spin S=1 system

Science.gov (United States)

Vonlanthen, P.; Tanaka, K. B.; Clark, W. G.; Gavilano, J. L.; Ott, H. R.; Millet, P.; Mila, F.; Kuhns, P.; Reyes, A. P.; Moulton, W. G.

2001-03-01

We report ^7Li NMR studies of LiVGe_2O_6, a quasi one-dimensional spin S=1 system. Our measurements include NMR spectra, the spin-lattice relaxation rate, T_1-1, and the spin-spin relaxation rate, T_2-1, obtained at magnetic fields (B) of 9 and 23 T and temperatures (T) over the range 1.8 - 300 K. The 9 T NMR spectra show a continuous transfer of spectral weight from a paramagnetic phase to an antiferromagnetic one in a narrow temperature range of about 2 K around the transition temperature TN ≈ 25 K. Both phases coexist in this range. Below 10 K, well into the antiferromagnetic phase, the T_1-1 measurements are consistent with electron spin excitations across an energy gap (Δ) with Δ/k_B≈ 14 K at 9 T and 11 K at about 23 T; i.e., applying a large B slightly reduces Δ. Changing B from 9 to 23 T increases TN by 1 K. Thus, TN is influenced only marginally by B up to 23 Tesla. The UCLA part of the work was supported by NSF Grants DMR-9705369 and DMR-0072524.

NMR study of spin dynamics in mesoscopic molecular clusters

Science.gov (United States)

Borsa, Ferdinando

1998-03-01

Recent published and umpublished work regarding the magnetic properties and the spin dynamics of molecules containing rings of 6,8 and 10 spins and of molecules containing clusters of 8 and 12 spins are reviewed. The 1H nuclear spin-lattice relaxation rate (NSLR) and the Muon Spin Resonance relaxation in Mn12 (A.Lascialfari, D.Gatteschi, F.Borsa, A.Shastri, Z.H.Jang and P.Carretta, Phys.Rev. B 1 January 1998) and Fe8 clusters are presented and discussed with regards to the high temperature spin dynamics of the Mn (Fe) magnetic moments and with regards to the low temperature superparamagnetic behavior. 1H and 63Cu NMR results are presented for two "quantum" spin rings : Cu6 and Cu8. The Cu6 is a weakly coupled (J/k=60K) ferromagnetic S=1/2 spin ring while Cu8 is a strongly coupled (J/k greater than 400K) antiferromagnetic S=1/2 spin ring.The dependence of the NSRL from temperature and from applied magnetic field are analyzed in terms of the calculated magnetic energy levels of the magnetic ring. The values of the energy gap between the ground state and the first excited state are extracted from the exponential decrease of the NSLR as the temperature is lowered. The results in the Cu ( S=1/2) "quantum" rings are compared with the results in "quantum" chains and ladders and with the results in "classical" Fe (S=5/2) antiferromagnetic rings : Fe6 and Fe10 (A.Lascialfari, D.Gatteschi, F.Borsa and A.Cornia , Phys.Rev. 55B,14341,1997) ).

Two-proton radioactivity in proton-rich fp shell nuclei at high spin

Energy Technology Data Exchange (ETDEWEB)

Aggarwal, Mamta [Nuclear Science Centre, Aruna Asaf Ali Marg, Post Box 10502, New Delhi 110067 (India)

2006-07-15

Two-proton radioactivity in extremely proton-rich fp shell nuclei at high spins is investigated in a theoretical framework. Separation energy and entropy fluctuate with spin and hence affect the location of the proton drip line.

Two-proton radioactivity in proton-rich fp shell nuclei at high spin

International Nuclear Information System (INIS)

Aggarwal, Mamta

2006-01-01

Two-proton radioactivity in extremely proton-rich fp shell nuclei at high spins is investigated in a theoretical framework. Separation energy and entropy fluctuate with spin and hence affect the location of the proton drip line

Experimental tests of proton spin models

International Nuclear Information System (INIS)

Ramsey, G.P.; Argonne National Lab., IL

1989-01-01

We have developed models for the spin-weighted quark and gluon distribution in a longitudinally polarized proton. The model parameters are determined from current algebra sum rules and polarized deep-inelastic scattering data. A number of different scenarios are presented for the fraction of spin carried the constituent parton distributions. A possible long-range experimental program is suggested for measuring various hard scattering processes using polarized lepton and proton beams. With the knowledge gained from these experiments, we can begin to understand the parton contributions to the proton spin. 28 refs., 5 figs

Spin-Orbital Quantum Liquid on the Honeycomb Lattice

Directory of Open Access Journals (Sweden)

Philippe Corboz

2012-11-01

Full Text Available The main characteristic of Mott insulators, as compared to band insulators, is to host low-energy spin fluctuations. In addition, Mott insulators often possess orbital degrees of freedom when crystal-field levels are partially filled. While in the majority of Mott insulators, spins and orbitals develop long-range order, the possibility for the ground state to be a quantum liquid opens new perspectives. In this paper, we provide clear evidence that the spin-orbital SU(4 symmetric Kugel-Khomskii model of Mott insulators on the honeycomb lattice is a quantum spin-orbital liquid. The absence of any form of symmetry breaking—lattice or SU(N—is supported by a combination of semiclassical and numerical approaches: flavor-wave theory, tensor network algorithm, and exact diagonalizations. In addition, all properties revealed by these methods are very accurately accounted for by a projected variational wave function based on the π-flux state of fermions on the honeycomb lattice at 1/4 filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the symmetric Kugel-Khomskii model on the honeycomb lattice is an algebraic quantum spin-orbital liquid. This model provides an interesting starting point to understanding the recently discovered spin-orbital-liquid behavior of Ba_{3}CuSb_{2}O_{9}. The present results also suggest the choice of optical lattices with honeycomb geometry in the search for quantum liquids in ultracold four-color fermionic atoms.

Measurement of the spin-spin correlation parameter C/sub LL/(THETA) in proton-proton scattering

International Nuclear Information System (INIS)

Stuart, S.J.

1982-08-01

The experimental procedures and methods of data analysis used to measure the spin-spin correlation parameter C/sub LL/(THETA) in proton-proton scattering at thirteen different energies in the range 300 to 800 MeV are presented. The results compare favorably with previous data. Good agreement is found with phase shift predictions at energies below 500 MeV

Solid state NMR of spin-1/2 nuclei

International Nuclear Information System (INIS)

Wind, R.A.

1991-01-01

The detection of nuclear magnetic resonance by Bloch et al. and Purcell and co-workers in 1946 has led to the development of one of the most powerful spectroscopic techniques known today. The reason is that, besides the applied external magnetic field, a nuclear spin also experiences extra local magnetic fields, which are due to surrounding electron clouds (the chemical shift) and other spins. These local fields differ for nuclei located at chemically different positions in a molecule. The result is that an NMR spectrum often consists of several lines, which can be considered to be a fingerprint of the material under investigation an can assist the clarifying its molecular structure. NMR has been especially successful in liquids and liquid like materials, where fast molecular tumblings average out the anisotropies in the local fields, resulting in well-resolved NMR spectra. This paper reports that initially the development of solid-state NMR was less dramatic. Originally, for reasons of sensitivity, attention was focused mainly on 1 H NMR. The result is that the NMR spectrum usually consists of single, broad, featureless line, which, except for special cases such as more or less isolated spin pairs or methyl groups, does not provide much information

NMR Study of the S=1/2 Quantum Kagome Lattice Antiferromagnet [Cu_3(titmb)_2(CH_3CO_2)_6]・H_2O(Frustrated Systems, Field-Induced Phase Transitions and Dynamics in Quantum Spin Systems)

OpenAIRE

Satoru, MAEGAWA; Kenji, YOSHIOKA; Shinichi, KAWAHARA; Akira, OYAMADA; Kenichi, FUJITA; Ryohei, YAMAGUCHI; Graduate School of Human and Environmental Studies, Kyoto University; Graduate School of Human and Environmental Studies, Kyoto University; Graduate School of Human and Environmental Studies, Kyoto University; Graduate School of Human and Environmental Studies, Kyoto University; Graduate School of Human and Environmental Studies, Kyoto University; Graduate School of Human and Environmental Studies, Kyoto University

2005-01-01

A quantum kagome lattice magnet, [Cu_3(titmb)_2(CH_3CO_2)_6]・H_2O with s=1/2 has been studied by magnetization and NMR experiments. No magnetic phase transition was observed down to 180mK. The spin-lattice relaxation rate T^_1 above 20K is almost temperature independent, while below 10K the rates decrease sharply as the temperature is decreased, and can be described as T^_1=B exp(-△/κ_BT). The field dependence on the energy gap △ has been obtained and is found to show plateaus between 3.2 and...

Study of relaxation times of nanocomposites of starch/montmorillonite employing low field NMR

International Nuclear Information System (INIS)

Brito, Luciana M.; Tavares, Maria Ines B.

2011-01-01

Due to its various applications and features, especially in therapies for controlled release of pharmaceuticals, polymers are among the most widely used excipients in pharmaceutical technology. One of the most promising nanocomposites is formed from organic polymer and inorganic clay minerals. Nanocomposites of starch/montmorillonite were prepared employing solution intercalation and characterized by proton spin-lattice relaxation time, through NMR relaxometry. The characterization of nanocomposites was done by X-ray diffraction and by nuclear magnetic resonance. The results showed that nanostructured films were obtained by intercalation from solution. Furthermore, the use of low field NMR, T1H, provided more precise information about the movement of materials, being complementary to the results obtained by X-ray diffraction. (author)

Differential saturation study of radial and angular modulation mechanisms of electron spin--lattice relaxation for trapped hydrogen atoms in sulfuric acid glasses. [X radiation

Energy Technology Data Exchange (ETDEWEB)

Plonka, A; Kevan, L

1976-11-01

A differential ESR saturation study of allowed transitions and forbidden proton spin-flip satellite transitions for trapped hydrogen atoms in sulfuric acid glasses indicates that angular modulation dominates the spin-lattice relaxation mechanisms and suggests that the modulation arises from motion of the H atom.

Spin-lattice relaxation times and knight shift in InSb and InAs

International Nuclear Information System (INIS)

Braun, P.; Grande, S.

1976-01-01

For a dominant contact interaction between nuclei and conduction electrons the relaxation rate is deduced. The extreme cases of degenerate and non-degenerate semiconductors are separately discussed. At strong degeneracy the product of the Knight shift and relaxation time gives the Korringa relation for metals. Measurements of the NMR spin-lattice relaxation times of 115 InSb and 115 InAs were made between 4.2 and 300 K for strongly degenerated samples. The different relaxation mechanisms are discussed and the experimental and theoretical results are compared. (author)

13C solid state NMR investigation of natural resins components

International Nuclear Information System (INIS)

Tavares, Maria I.B.; Bathista, Andre L.B.S.; Silva, Emerson O.; Priante Filho, Nicolau; Nogueira, Jose S.

2001-01-01

The objective of this work is to establish and analytical methodology as a routine using solid state nuclear magnetic resonance (NMR) techniques to investigate the mainly chemical components presented in natural resins in bulk. And also to evaluate the molecular behaviour of these resins. The routine solid state techniques allow us to assign the main compounds presented in the resins. Therefore, applying specialised techniques, like variable contact time, delayed contact time, dephasing time and proton spin lattice relaxation time in the rotating frame (T 1 H ρ), more information about chemical structure and molecular dynamic is available

Time domain NMR evaluation of poly(vinyl alcohol) xerogels

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, Elton Jorge da Rocha; Cavalcante, Maxwell de Paula; Tavares, Maria Ines Bruno, E-mail: mibt@ima.ufrj.br [Universidade Federal do Rio de Janeiro (IMA/UFRJ), Rio de Janeiro, RJ (Brazil). Centro de Tecnologia. Instituto de Macromoleculas Professora Eloisa Mano

2016-05-15

Poly(vinyl alcohol) (PVA)-based chemically cross-linked xerogels, both neat and loaded with nanoparticulate hydrophilic silica (SiO{sub 2}), were obtained and characterized mainly through time domain NMR experiments (TD-NMR). Fourier-transform infrared (FT-IR) and wide angle X-ray diffraction (WAXD) analyses were employed as secondary methods. TD-NMR, through the interpretation of the spin-lattice relaxation constant values and related information, showed both cross-linking and nanoparticle influences on PVA matrix. SiO{sub 2} does not interact chemically with the PVA chains, but has effect on its molecular mobility, as investigated via TD-NMR. Apparent energy of activation, spin-lattice time constant and size of spin domains in the sample have almost linear dependence with the degree of cross-linking of the PVA and are affected by the addition of SiO{sub 2}. These three parameters were derived from a single set of TD-NMR experiments, which demonstrates the versatility of the technique for characterization of inorganic-organic hybrid xerogels, an important class of materials. (author)

Lattice Waves, Spin Waves, and Neutron Scattering

Science.gov (United States)

Brockhouse, Bertram N.

1962-03-01

Use of neutron inelastic scattering to study the forces between atoms in solids is treated. One-phonon processes and lattice vibrations are discussed, and experiments that verified the existence of the quantum of lattice vibrations, the phonon, are reviewed. Dispersion curves, phonon frequencies and absorption, and models for dispersion calculations are discussed. Experiments on the crystal dynamics of metals are examined. Dispersion curves are presented and analyzed; theory of lattice dynamics is considered; effects of Fermi surfaces on dispersion curves; electron-phonon interactions, electronic structure influence on lattice vibrations, and phonon lifetimes are explored. The dispersion relation of spin waves in crystals and experiments in which dispersion curves for spin waves in Co-Fe alloy and magnons in magnetite were obtained and the reality of the magnon was demonstrated are discussed. (D.C.W)

Large-amplitude superexchange of high-spin fermions in optical lattices

International Nuclear Information System (INIS)

Jürgensen, Ole; Heinze, Jannes; Lühmann, Dirk-Sören

2013-01-01

We show that fermionic high-spin systems with spin-changing collisions allow one to monitor superexchange processes in optical superlattices with large amplitudes and strong spin fluctuations. By investigating the non-equilibrium dynamics, we find a superexchange dominated regime at weak interactions. The underlying mechanism is driven by an emerging tunneling-energy gap in shallow few-well potentials. As a consequence, the interaction-energy gap that is expected to occur only for strong interactions in deep lattices is re-established. By tuning the optical lattice depth, a crossover between two regimes with negligible particle number fluctuations is found: firstly, the common regime with vanishing spin-fluctuations in deep lattices and, secondly, a novel regime with strong spin fluctuations in shallow lattices. We discuss the possible experimental realization with ultracold 40 K atoms and observable quantities in double wells and two-dimensional plaquettes. (paper)

Inducing spin-dependent tunneling to probe magnetic correlations in optical lattices

DEFF Research Database (Denmark)

Pedersen, Kim-Georg; Andersen, Brian; Syljuåsen, Olav

2012-01-01

We suggest a simple experimental method for probing antiferromagnetic spin correlations of two-component Fermi gases in optical lattices. The method relies on a spin selective Raman transition to excite atoms of one spin species to their first excited vibrational mode where the tunneling is large....... The resulting difference in the tunneling dynamics of the two spin species can then be exploited, to reveal the spin correlations by measuring the number of doubly occupied lattice sites at a later time. We perform quantum Monte Carlo simulations of the spin system and solve the optical lattice dynamics...

Parallel computer calculation of quantum spin lattices

International Nuclear Information System (INIS)

Lamarcq, J.

1998-01-01

Numerical simulation allows the theorists to convince themselves about the validity of the models they use. Particularly by simulating the spin lattices one can judge about the validity of a conjecture. Simulating a system defined by a large number of degrees of freedom requires highly sophisticated machines. This study deals with modelling the magnetic interactions between the ions of a crystal. Many exact results have been found for spin 1/2 systems but not for systems of other spins for which many simulation have been carried out. The interest for simulations has been renewed by the Haldane's conjecture stipulating the existence of a energy gap between the ground state and the first excited states of a spin 1 lattice. The existence of this gap has been experimentally demonstrated. This report contains the following four chapters: 1. Spin systems; 2. Calculation of eigenvalues; 3. Programming; 4. Parallel calculation

Spin-echo observation of radio frequency induced flux lattice annealing (RIFLA) in a type-II superconductor

International Nuclear Information System (INIS)

Clark, W.G.; Hanson, M.E.; Wong, W.H.

1999-01-01

We report the annealing of a strained flux line lattice (FLL) in 10 μm diameter type-II superconducting NbTi filaments by an RF magnetic field at 4.2 K in a magnetic field of 1 T. The strained FLL is prepared by slowly changing the direction of the applied magnetic field. When the RF magnetic field used to generate a 93 Nb NMR spin echo anneals the FLL, there is a corresponding reduction in the amplitude of the spin echo. Starting from an annealed condition, a rotation threshold of 3 mr is needed to produce enough FLL strain to be observed in these measurements. (orig.)

Microwave Amplitude Modulation Technique to Measure Spin-Lattice (T 1) and Spin-Spin (T 2) Relaxation Times

Science.gov (United States)

Misra, Sushil K.

The measurement of very short spin-lattice, or longitudinal, relaxation (SLR) times (i.e., 10-10 Misra, 1998), and polymer resins doped with rare-earth ions (Pescia et al., 1999a; Pescia et al. 1999b). The ability to measure such fast SLR data on amorphous Si and copper-chromium-tin spinel led to an understanding of the role of exchange interaction in affecting spin-lattice relaxation, while the data on polymer resins doped with rare-earth ions provided evidence of spin-fracton relaxation (Pescia et al., 1999a, b). But such fast SLR times are not measurable by the most commonly used techniques of saturation- and inversion-recovery (Poole, 1982; Alger, 1968), which only measure spin-lattice relaxation times longer than 10-6 s. A summary of relevant experimental data is presented in Table 1.

Proton spin structure in the rest frame

International Nuclear Information System (INIS)

Zavada, P.

1997-01-01

It is shown that the quark-parton model in the standard infinite momentum approach overestimates the proton spin structure function g 1 (x) in comparison with the approach taking consistently into account the internal motion of quarks described by a spherical phase space in the proton rest frame. Particularly, it is shown the first moment of the spin structure function in the latter approach, assuming only the valence quarks contribution to the proton spin, does not contradict the experimental data. copyright 1997 The American Physical Society

Morpholino spin-labeling for base-pair sequencing of a 3'-terminal RNA stem by proton homonuclear Overhauser enhancements: yeast ribosomal 5S RNA

International Nuclear Information System (INIS)

Lee, K.M.; Marshall, A.G.

1987-01-01

Base-pair sequences for 5S and 5.8S RNAs are not readily extracted from proton homonuclear nuclear Overhauser enhancement (NOE) connectivity experiments alone, due to extensive peak overlap in the downfield (11-15 ppm) proton NMR spectrum. In this paper, we introduce a new method for base-pair proton peak assignment for ribosomal RNAs, based upon the distance-dependent broadening of the resonances of base-pair protons spatially proximal to a paramagnetic group. Introduction of a nitroxide spin-label covalently attached to the 3'-terminal ribose provides an unequivocal starting point for base-pair hydrogen-bond proton NMR assignment. Subsequent NOE connectivities then establish the base-pair sequence for the terminal stem of a 5S RNA. Periodate oxidation of yeast 5S RNA, followed by reaction with 4-amino-2,2,6,6-tetramethylpiperidinyl-1-oxy (TEMPO-NH2) and sodium borohydride reduction, produces yeast 5S RNA specifically labeled with a paramagnetic nitroxide group at the 3'-terminal ribose. Comparison of the 500-MHz 1H NMR spectra of native and 3'-terminal spin-labeled yeast 5S RNA serves to identify the terminal base pair (G1 . C120) and its adjacent base pair (G2 . U119) on the basis of their proximity to the 3'-terminal spin-label. From that starting point, we have then identified (G . C, A . U, or G . U) and sequenced eight of the nine base pairs in the terminal helix via primary and secondary NOE's

Spin lattices of walking droplets

Science.gov (United States)

Saenz, Pedro; Pucci, Giuseppe; Goujon, Alexis; Dunkel, Jorn; Bush, John

2017-11-01

We present the results of an experimental investigation of the spontaneous emergence of collective behavior in spin lattice of droplets walking on a vibrating fluid bath. The bottom topography consists of relatively deep circular wells that encourage the walking droplets to follow circular trajectories centered at the lattice sites, in one direction or the other. Wave-mediated interactions between neighboring drops are enabled through a thin fluid layer between the wells. The sense of rotation of the walking droplets may thus become globally coupled. When the coupling is sufficiently strong, interactions with neighboring droplets may result in switches in spin that lead to preferred global arrangements, including correlated (all drops rotating in the same direction) or anti-correlated (neighboring drops rotating in opposite directions) states. Analogies with ferromagnetism and anti-ferromagnetism are drawn. Different spatial arrangements are presented in 1D and 2D lattices to illustrate the effects of topological frustration. This work was supported by the US National Science Foundation through Grants CMMI-1333242 and DMS-1614043.

Fractional vortex lattice structures in spin-triplet superconductors

International Nuclear Information System (INIS)

Chung, Suk Bum; Agterberg, Daniel F; Kim, Eun-A

2009-01-01

Motivated by recent interest in spin-triplet superconductors, we investigate the vortex lattice structures for this class of unconventional superconductors. We discuss how the order parameter symmetry can give rise to U(1)xU(1) symmetry in the same sense as in spinor condensates, making half-quantum vortices (HQVs) topologically stable. We then calculate the vortex lattice structure of HQVs, with particular attention on the roles of the crystalline lattice, the Zeeman coupling and Meissner screening, all absent in spinor condensates. Finally, we consider how spin-orbit coupling leads to a breakdown of the U(1)xU(1) symmetry in free energy and whether the HQV lattice survives this symmetry breaking. As examples, we examine simpler spin-triplet models proposed in the context of Na x CoO 2 ·yH 2 O and Bechgaard salts, as well as the better known and more complex model for Sr 2 RuO 4 .

Where is the proton's spin?

International Nuclear Information System (INIS)

Close, F.E.

1989-01-01

There has been much recent excitement arising from the claim by the EMC collaboration that none of the proton's spin is carried by quarks. There are many textbooks, including those written by some members of this audience, which assert that the proton's spin is carried by quarks. I will review the history of deep inelastic scattering of polarized leptons from polarized protons, culminating in this most recent dramatic claim. I will show that, for the last decade, data have appeared consistent with predictions of the quark model and highlight what the new and potentially exciting data are. I will conclude with suggestions for the future

Where is the proton's spin?

International Nuclear Information System (INIS)

Close, F.E.

1988-01-01

There has been much recent excitement arising from the claim by the EMC collaboration that none of the proton's spin is carried by quarks. There are many textbooks, including those written by some members of this audience, which assert that the proton's spin is carried by quarks. I will review the history of deep inelastic scattering of polarized leptons from polarized protons, culminating in this most recent dramatic claim. I will show that, for the last decade, data have appeared consistent with predictions of the quark model and highlight what the new and potentially exciting data are. I will conclude with suggestions for the future. 33 refs

Unusual spin frozen state in a frustrated pyrochlore system NaCaCo{sub 2}F{sub 7} as observed by NMR

Energy Technology Data Exchange (ETDEWEB)

Sarkar, R.; Brueckner, F.; Klauss, H.H. [IFP, TU Dresden (Germany); Krizan, J.W.; Cava, R.J. [Department of Chemistry, Princeton University, Princeton, NJ (United States)

2016-07-01

We present {sup 23}Na -and {sup 19}F NMR results on the magnetically frustrated pyrochlore NaCaCo{sub 2}F{sub 7} with a frustration index of f = θ{sub CW}/T{sub f} ∝ 56. Recent neutron scattering experiments proposed XY like antiferromagnetic spin clusters at low energies in NaCaCo{sub 2}F{sub 7}. {sup 23}Na NMR -spectra reveal the presence of two magnetically non equivalent Na sites in conjunction with the local Co{sup 2+} spin structure. Below 3.6 K both the {sup 23}Na -and {sup 19}F spectra broaden due to the formation of static spin correlations. A huge reduction of the {sup 19}F -and {sup 23}Na NMR signal intensity hints at a quasi-static field distribution in NaCaCo{sub 2}F{sub 7} in this regime. The {sup 19}F spin-lattice relaxation rate {sup 19}(1/T{sub 1}) exhibits a peak at around 2.9 K, at the same temperature range where ac and dc susceptibility data show a broad maximum. The character of the spin fluctuation appears to be isotropic. The overall temperature dependence of {sup 19}(1/T{sub 1}) can be described by the BPP theory considering a fluctuating hyperfine field with an autocorrelation function. The correlation time of the autocorrelation function exhibits an activation behavior further indicating the spin-frozen state. While the present NMR studies suggest the spin frozen state at low temperatures, μSR investigations however reveal the presence of so called persistent spin dynamics down to 20 mK implying an exotic ground state in NaCaCo{sub 2}F{sub 7}.

Spin-orbital quantum liquid on the honeycomb lattice

Science.gov (United States)

Corboz, Philippe

2013-03-01

The symmetric Kugel-Khomskii can be seen as a minimal model describing the interactions between spin and orbital degrees of freedom in transition-metal oxides with orbital degeneracy, and it is equivalent to the SU(4) Heisenberg model of four-color fermionic atoms. We present simulation results for this model on various two-dimensional lattices obtained with infinite projected-entangled pair states (iPEPS), an efficient variational tensor-network ansatz for two dimensional wave functions in the thermodynamic limit. This approach can be seen as a two-dimensional generalization of matrix product states - the underlying ansatz of the density matrix renormalization group method. We find a rich variety of exotic phases: while on the square and checkerboard lattices the ground state exhibits dimer-Néel order and plaquette order, respectively, quantum fluctuations on the honeycomb lattice destroy any order, giving rise to a spin-orbital liquid. Our results are supported from flavor-wave theory and exact diagonalization. Furthermore, the properties of the spin-orbital liquid state on the honeycomb lattice are accurately accounted for by a projected variational wave-function based on the pi-flux state of fermions on the honeycomb lattice at 1/4-filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the ground state is an algebraic spin-orbital liquid. This model provides a good starting point to understand the recently discovered spin-orbital liquid behavior of Ba3CuSb2O9. The present results also suggest to choose optical lattices with honeycomb geometry in the search for quantum liquids in ultra-cold four-color fermionic atoms. We acknowledge the financial support from the Swiss National Science Foundation.

NMR relaxation and phase transitions in solid methane and deuterated derivatives

International Nuclear Information System (INIS)

Putten, D. van der.

1984-01-01

This thesis describes an investigation of properties of solid methane at high pressure (till 10 kbar) with temperatures ranging from 2 until 100 K. The high inverse moment of inertia of the molecule combined with low ordering potentials gives rise to properties for which quantum effects play an important role: e.g. the transition temperature to a partially ordered phase shows an isotope effect of 35% when CH 4 protons are substituted by deuterons. Interpretation of NMR properties of solid methane also show quantum effects. First, a helium cryostat is developed and described and NMR results for CH 4 , CH 2 D 2 and CD 4 are given. The influence of discrete tunnel states on the spin-lattice relaxation is studied theoretically. Application of group theory has simplified the calculations considerably. (G.J.P.)

Spin dynamics in the single-ion magnet [Er(W5O18) 2 ] 9 -

Science.gov (United States)

Mariani, M.; Borsa, F.; Graf, M. J.; Sanna, S.; Filibian, M.; Orlando, T.; Sabareesh, K. P. V.; Cardona-Serra, S.; Coronado, E.; Lascialfari, A.

2018-04-01

In this work we present a detailed NMR and μ+SR investigation of the spin dynamics in the new hydrated sodium salt containing the single-ion magnet [Er(W5O18) 2 ] 9 -. The 1HNMR absorption spectra at various applied magnetic fields present a line broadening on decreasing temperature which indicates a progressive spin freezing of the single-molecule magnetic moments. The onset of quasistatic local magnetic fields, due to spin freezing, is observed also in the muon relaxation curves at low temperature. Both techniques yield a local field distribution of the order of 0.1-0.2 T, which appears to be of dipolar origin. On decreasing the temperature, a gradual loss of the 1HNMR signal intensity is observed, a phenomenon known as wipe-out effect. The effect is analyzed quantitatively on the basis of a simple model which relies on the enhancement of the NMR spin-spin, T2-1, relaxation rate due to the slowing down of the magnetic fluctuations. Measurements of spin-lattice relaxation rate T1-1 for 1HNMR and of the muon longitudinal relaxation rate λ show an increase as the temperature is lowered. However, while for the NMR case the signal is lost before reaching the very slow fluctuation region, the muon spin-lattice relaxation λ can be followed until very low temperatures and the characteristic maximum, reached when the electronic spin fluctuation frequency becomes of the order of the muon Larmor frequency, can be observed. At high temperatures, the data can be well reproduced with a simple model based on a single correlation time τ =τ0exp (Δ /T ) for the magnetic fluctuations. However, to fit the relaxation data for both NMR and μ+SR over the whole temperature and magnetic field range, one has to use a more detailed model that takes into account spin-phonon transitions among the E r3 + magnetic sublevels. A good agreement for both proton NMR and μ+SR relaxation is obtained, which confirms the validity of the energy level scheme previously calculated from an

Two- and three-dimensional proton NMR studies of apo-neocarzinostatin

International Nuclear Information System (INIS)

Xiaolian Gao; Burkhart, W.

1991-01-01

Neocarzinostatin (NCS) is an antitumor protein from Streptomyces carzinostaticus that is identical in apo-protein sequence with mitomalcin (MMC) from Streptomyces malayensis. The authors describe the use of apo-NCS as a model system for applying combined two-and three-dimensional (2D and 3D) proton NMR spectroscopy to the structure determination of proteins without isotope labeling. Strategies aimed at accurately assigning overlapped 2D cross-peaks by using semiautomated combined 2D and 3D data analysis are developed. Using this approach, they have assigned 99% of the protons, including those of the side chains, and identified about 1,270 intra- and interresidue proton-proton interactions (fixed distances are not included) in apo-NCS. Comparing these results with those reported recently on 2D NMR studies of apo-NCS demonstrated advantages of proton 3D NMR spectroscopy in protein spectral assignments. They are able to obtain more complete proton resonance and secondary structural assignments and find several misassignments in the earlier report. Strategies utilized in this work should be useful for developing automation procedures for spectral assignments

Investigation of the molecular motions in Cd(NH/sub 3/)/sub 6/Cl/sub 2/ by NMR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Pislewski, N [Polska Akademia Nauk, Poznan. Inst. Fizyki Molekularnej; Ferris, L T.H. [University Coll., London (UK). Dept. of Chemistry

1981-07-01

NMR results are reported for intramolecular motion in Cd(NH/sub 3/)/sub 6/Cl/sub 2/. Below the 180 K phase transition, the motion of the NH/sub 3/ groups is well described by the Hilt-Hubbard theory with an activation energy of 9.63 kJ/mol. The inter-proton distance in NH/sub 3/ determined from relaxational measurements is 0.161 nm. Several K below and above the transition point, two phases with different spin-lattice relaxation times coexist.

The proton's spin: A quark model perspective

International Nuclear Information System (INIS)

Close, F.E.

1989-01-01

Magnetic moments and g A /g V provide information on the correlations among quark spins and flavors in the proton. I compare this information with the deep inelastic polarized data from EMC which has been claimed to show that very little of the proton's spin is due to the quarks. The possibility that there is significant polarization of strange quarks within protons is discussed. 38 refs

(Non-) Gibbsianness and Phase Transitions in Random Lattice Spin Models

NARCIS (Netherlands)

Külske, C.

1999-01-01

We consider disordered lattice spin models with finite-volume Gibbs measures µΛ[η](dσ). Here σ denotes a lattice spin variable and η a lattice random variable with product distribution P describing the quenched disorder of the model. We ask: when will the joint measures limΛ↑Zd P(dη)µΛ[η](dσ) be

1H NMR studies in the regime of the field-induced spin-density wave phases of (TMTSF)2PF6

International Nuclear Information System (INIS)

Brown, S.E.; Pieper, M.; Clark, W.G.; Chow, D.S.; Alavi, B.

1999-01-01

We report 1 H proton spin-lattice relaxation measurements T 1 -1 on pressurized (TMTSF) 2 PF 6 in high magnetic fields. Maxima in T 1 -1 identify the phase transition to the field-induced spin-density wave (FISDW) state. Fluctuation effects are evident at temperatures above the transition, and vanish continuously in strength as the field is lowered to the critical field B c for the onset of the FISDW cascade. (orig.)

NMR spectroscopy study of agar-based polymers electrolytes

Energy Technology Data Exchange (ETDEWEB)

Mattos, R.I.; Tambelli, C.E. [Universidade de Sao Paulo (USP), Pirassununga, SP (Brazil). Fac. de Zootecnia e Engenharia de Alimentos; Raphael, E. [Universidade Federal de Sao Joao del-Rey (UFSJ), MG (Brazil). Dept. de Ciencias Naturais; Silva, I.D.A.; Magon, C.J.; Donoso, J.P. [Universidade de Sao Paulo (IFSC/USP), Sao Carlos, SP (Brazil). Inst. de Fisica

2012-07-01

Full text: This communication presents the results of preparation and characterization of transparent films obtained from agar and acetic acid. The films were characterized by electrochemical impedance spectroscopy (EIS) and nuclear magnetic resonance (NMR). The film formed by agar (Sigma Aldrich) was dispersed in water and kept under stirring and heating at 100 deg C. Next, glycerol, formaldehyde and different quantities of acetic acid (25 and 50 wt%) were added to this solution. The obtained solution was placed on a glass plate and left to dry for 48 hours in oven at 50 deg C to obtain the films, which were kept under vacuum before characterization. The ionic conductivity of the films display an Arrhenius behavior with activation energy E{sub a} = 78 (25 wt% of acetic acid) and E{sub a} = 87 kJ/mol (50 wt% of acetic acid). The conductivity values were 3:0 X 10{sup -6} and 1:2 X 10{sup -4} S/cm at room temperature and 4:4 X 10{sup -4} and 1:5 X 10{sup -3}S/cm at 70 deg C, for the 25 and 50 wt% of acetic acid respectively. To investigate the mechanism of protonic conduction in the polymer proton conductor proton NMR measurements were performed in the temperature range 200-370 K. The {sup 1}H-NMR results exhibit the qualitative feature associated with the proton mobility, namely the presence of well defined {sup 1}H spin-lattice relaxation maxima at 300 K. Activation energy of the order of 40 kJ/mol was obtained from the {sup 1}H-NMR line narrowing data. The ionic conductivity of the film combined with their transparency, flexibility, homogeneity and good adhesion to the glasses or metals indicate that agar-based SPEs are promising materials for used on optoelectronic applications. (author)

Tunneling splitting of magnetic levels in Fe8 detected by 1H NMR cross relaxation

Science.gov (United States)

Furukawa, Y.; Aizawa, K.; Kumagai, K.; Ullu, R.; Lascialfari, A.; Borsa, F.

2003-05-01

Measurements of proton NMR and the spin lattice relaxation rate 1/T1 in the octanuclear iron (III) cluster [Fe8(N3C6H15)6O2(OH)12]ṡ[Br8ṡ9H2O], in short Fe8, have been performed at 1.5 K in a powder sample aligned along the main anisotropy z axis, as a function of a transverse magnetic field (i.e., perpendicular to the main easy axis z). A big enhancement of 1/T1 is observed over a wide range of fields (2.5-5 T), which can be attributed to the tunneling dynamics; in fact, when the tunneling splitting of the pairwise degenerate m=±10 states of the Fe8 molecule becomes equal to the proton Larmor frequency a very effective spin lattice relaxation channel for the nuclei is opened. The experimental results are explained satisfactorily by considering the distribution of tunneling splitting resulting from the distribution of the angles in the hard xy plane for the aligned powder, and the results of the direct diagonalization of the model Hamiltonian.

Hydrogen cluster/network in tobermorite as studied by multiple-quantum spin counting {sup 1}H NMR

Energy Technology Data Exchange (ETDEWEB)

Mogami, Yuuki [Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Yamazaki, Satoru; Matsuno, Shinya [Analysis and Simulation Center, Asahi Kasei Corporation, Fuji, Shizuoka 416-8501 (Japan); Matsui, Kunio [Products and Marketing Development Dept., Asahi Kasei Construction Materials Corporation, Sakai-machi, Ibaraki 306-0493 (Japan); Noda, Yasuto [Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan); Takegoshi, K., E-mail: takeyan@kuchem.kyoto-u.ac.jp [Division of Chemistry, Graduate School of Science, Kyoto University, Kyoto 606-8502 (Japan)

2014-12-15

Proton multiple-quantum (MQ) spin-counting experiment has been employed to study arrangement of hydrogen atoms in 9 Å/11 Å natural/synthetic tobermorites. Even though all tobermorite samples give similar characterless, broad static-powder {sup 1}H NMR spectra, their MQ spin-counting spectra are markedly different; higher quanta in 11 Å tobermorite do not grow with the MQ excitation time, while those in 9 Å one do. A statistical analysis of the MQ results recently proposed [26] is applied to show that hydrogens align in 9 Å tobermorite one dimensionally, while in 11 Å tobermorite they exist as a cluster of 5–8 hydrogen atoms.

Probing Spin Crossover in a Solution by Paramagnetic NMR Spectroscopy.

Science.gov (United States)

Pavlov, Alexander A; Denisov, Gleb L; Kiskin, Mikhail A; Nelyubina, Yulia V; Novikov, Valentin V

2017-12-18

Spin transitions in spin-crossover compounds are now routinely studied in the solid state by magnetometry; however, only a few methods exist for studies in solution. The currently used Evans method, which relies on NMR spectroscopy to measure the magnetic susceptibility, requires the availability of a very pure sample of the paramagnetic compound and its exact concentration. To overcome these limitations, we propose an alternative NMR-based technique for evaluating spin-state populations by only using the chemical shifts of a spin-crossover compound; those can be routinely obtained for a solution that contains unknown impurities and paramagnetic admixtures or is contaminated otherwise.

Proton NMR imaging in experimental ischemic infarction

International Nuclear Information System (INIS)

Buonanno, F.S.; Pykett, I.L.; Brady, T.J.; Vielma, J.; Burt, C.T.; Goldman, M.R.; Hinshaw, W.S.; Pohost, G.M.; Kistler, J.P.

1983-01-01

Proton nuclear magnetic resonance (NMR) images depict the distribution and concentration of mobile protons modified by the relaxation times T1 and T2. Using the steady-state-free-precession (SSFP) technique, serial coronal images were obtained sequentially over time in laboratory animals with experimental ischemic infarction. Image changes were evident as early as 2 hours after carotid artery ligation, and corresponded to areas of ischemic infarction noted pathologically. Resulting SSFP images in experimental stroke are contrasted to inversion-recovery NMR images in an illustrative patient with established cerebral infarction. Bulk T1 and T2 measurements were made in vitro in three groups of gerbils: normal, those with clinical evidence of infarction, and those clinically normal after carotid ligature. Infarcted hemispheres had significantly prolonged T1 and T2 (1.47 +/- .12 sec, 76.0 +/- 9.0 msec, respectively) when compared to the contralateral hemisphere (T1 . 1.28 +/- .05 sec, T2 . 58.7 +/- 3.9 msec) or to the other two groups. These data suggest that changes in NMR parameters occur and can be detected by NMR imaging as early as two hours after carotid artery ligation

Spin Choreography: Basic Steps in High Resolution NMR (by Ray Freeman)

Science.gov (United States)

Minch, Michael J.

1998-02-01

There are three orientations that NMR courses may take. The traditional molecular structure course focuses on the interpretation of spectra and the use of chemical shifts, coupling constants, and nuclear Overhauser effects (NOE) to sort out subtle details of structure and stereochemistry. Courses can also focus on the fundamental quantum mechanics of observable NMR parameters and processes such a spin-spin splitting and relaxation. More recently there are courses devoted to the manipulation of nuclear spins and the basic steps of one- and two-dimensional NMR experiments. Freeman's book is directed towards the latter audience. Modern NMR methods offer a myriad ways to extract information about molecular structure and motion by observing the behavior of nuclear spins under a variety of conditions. In Freeman's words: "We can lead the spins through an intricate dance, carefully programmed in advance, to enhance, simplify, correlate, decouple, edit or assign NMR spectra." This is a carefully written, well-illustrated account of how this dance is choreographed by pulse programming, double resonance, and gradient effects. Although well written, this book is not an easy read; every word counts. It is recommended for graduate courses that emphasize the fundamentals of magnetic resonance. It is not a text on interpretation of spectra.

Spin observables in proton-neutron scattering at intermediate energy

International Nuclear Information System (INIS)

Spinka, H.

1986-05-01

A summary of np elastic scattering spin measurements at intermediate energy is given. Preliminary results from a LAMPF experiment to measure free neutron-proton elastic scattering spin-spin correlation parameters are presented. A longitudinally polarized proton target was used. These measurements are part of a program to determine the neutron-proton amplitudes in a model independent fashion at 500, 650, and 800 MeV. Some new proton-proton total cross sections in pure helicity states (Δσ/sub L/(pp)) near 3 GeV/c are also given. 37 refs., 2 figs

Measuring the spin Chern number in time-reversal-invariant Hofstadter optical lattices

Energy Technology Data Exchange (ETDEWEB)

Zhang, Dan-Wei, E-mail: zdanwei@126.com [Guangdong Provincial Key Laboratory of Quantum Engineering and Quantum Materials, SPTE, South China Normal University, Guangzhou 510006 (China); Cao, Shuai, E-mail: shuaicao2004@163.com [Department of Applied Physics, College of Electronic Engineering, South China Agricultural University, Guangzhou 510642 China (China)

2016-10-14

We propose an experimental scheme to directly measure the spin Chern number of the time-reversal-invariant Hofstadter model in optical lattices. We first show that this model can be realized by using ultracold Fermi atoms with two pseudo-spin states encoded by the internal Zeeman states in a square optical lattice and the corresponding topological Bloch bands are characterized by the spin Chern number. We then propose and numerically demonstrate that this topological invariant can be extracted from the shift of the hybrid Wannier center in the optical lattice. By spin-resolved in situ detection of the atomic densities along the transverse direction combined with time-of-flight measurement along another spatial direction, the spin Chern number in this system is directly measured. - Highlights: • The cold-atom optical-lattice scheme for realizing the time-reversal-invariant Hofstadter model is proposed. • The intrinsic spin Chern number related to the hybrid Wannier center in the optical lattice is investigated. • Direct measurement of the spin Chern number in the proposed system is theoretically demonstrated.

Polarizing a stored proton beam by spin-flip?

International Nuclear Information System (INIS)

Oellers, Dieter Gerd Christian

2010-01-01

The present thesis discusses the extraction of the electron-proton spin-flip cross-section. The experimental setup, the data analysis and the results are pictured in detail. The proton is described by a QCD-based parton model. In leading twist three functions are needed. The quark distribution, the helicity distribution and the transversity distribution. While the first two are well-known, the transversity distribution is largely unknown. A self-sufficient measurement of the transversity is possible in double polarized proton-antiproton scattering. This rises the need of a polarized antiproton beam. So far spin filtering is the only tested method to produce a polarized proton beam, which may be capable to hold also for antiprotons. In-situ polarization build-up of a stored beam either by selective removal or by spin-flip of a spin-(1)/(2) beam is mathematically described. A high spin-flip cross-section would create an effective method to produce a polarized antiproton beam by polarized positrons. Prompted by conflicting calculations, a measurement of the spin-flip cross-section in low-energy electron-proton scattering was carried out. This experiment uses the electron beam of the electron cooler at COSY as an electron target. The depolarization of the stored proton beam is detected. An overview of the experiment is followed by detailed descriptions of the cycle setup, of the electron target and the ANKE silicon tracking telescopes acting as a beam polarimeter. Elastic protondeuteron scattering is the analyzing reaction. The event selection is depicted and the beam polarization is calculated. Upper limits of the two electron-proton spin-flip cross-sections σ parallel and σ perpendicular to are deduced using the likelihood method. (orig.)

Broad line and pulsed NMR study of molecular motion in furfuryl alcohol resins

International Nuclear Information System (INIS)

Glowinkowski, S.; Pajak, Z.

1978-01-01

Broad line and pulsed nuclear magnetic resonance studies are carried out on a number of furfuryl alcohol resins differentiated by viscosity. Proton NMR spectra and relaxation times T 1 and Tsub(1rho) are measured over a wide temperature range and the results are interpreted in terms of molecular motion. The marked decrease in second moment and existence of high temperature spin-lattice relaxation times minima are presumed to result from rotational motion of polymer chains. The relaxation processes at low temperature are believed to be due to rotational motion of methyl endgroup and paramagnetic centres. (author)

NMR of insensitive nuclei enhanced by dynamic nuclear polarization.

Science.gov (United States)

Miéville, Pascal; Jannin, Sami; Helm, Lothar; Bodenhausen, Geoffrey

2011-01-01

Despite the powerful spectroscopic information it provides, Nuclear Magnetic Resonance (NMR) spectroscopy suffers from a lack of sensitivity, especially when dealing with nuclei other than protons. Even though NMR can be applied in a straightforward manner when dealing with abundant protons of organic molecules, it is very challenging to address biomolecules in low concentration and/or many other nuclei of the periodic table that do not provide as intense signals as protons. Dynamic Nuclear Polarization (DNP) is an important technique that provides a way to dramatically increase signal intensities in NMR. It consists in transferring the very high electron spin polarization of paramagnetic centers (usually at low temperature) to the surrounding nuclear spins with appropriate microwave irradiation. DNP can lead to an enhancement of the nuclear spin polarization by up to four orders of magnitude. We present in this article some basic concepts of DNP, describe the DNP apparatus at EPFL, and illustrate the interest of the technique for chemical applications by reporting recent measurements of the kinetics of complexation of 89Y by the DOTAM ligand.

Handbook of proton-NMR spectra and data index

CERN Document Server

Asahi Research Center Co, Ltd

2013-01-01

Handbook of Proton-NMR Spectra and Data: Index to Volumes 1-10 compiles four types of indexes used in charting the proton-NMR spectral database -Chemical Name Index, Molecular Formula Index, Substructure Index, and Chemical Shift Index. The Chemical Name Index compiles all chemical names in alphabetical order, followed by a spectrum number. When the desired organic compound cannot be found in the Chemical Name Index or its nomenclature is unclear, it becomes necessary to look for a compound by means of its molecular formula, hence the Molecular Formula Index. A unique notation system for repre

The 40th anniversary of the discovery of NMR-chemical shift and nuclear spin-spin coupling

International Nuclear Information System (INIS)

Zhu Zhenghe; Gou Qingquan

1989-01-01

After the discovery of NMR Phenomenon in the physics laboratories of E.M.Purcell at Harvard and F.Bloch at Stanford in 1946, W.G.Proctor and F.C.Yu made the successful discovery of NMR-chemical shift and nuclear spin-spin coupling at Stanford in 1950, Which brought NMR spectroscopy from the physics laboratory to the laboratories of many different fields. This is worth memorizing. Retrospecting the past 40 years, it is sure that chemical shift theory will be much more prosperous prospects

Proton polarimeters for spin transfer experiments

International Nuclear Information System (INIS)

McNaughton, M.W.

1985-01-01

The design and use of proton polarimeters for spin transfer (Wolfenstein parameter) measurements is discussed. Polarimeters are compared with polarized targets for spin dependent experiments. 32 refs., 4 figs

Violent collisions of spinning protons

Energy Technology Data Exchange (ETDEWEB)

Krisch, A.D. [Michigan Univ., Spin Physics Center, Ann Arbor, MI (United States)

2005-07-01

The author draws the history of polarized proton beams that has relied on experiments that took place in different accelerators like ZGS (zero gradient synchrotron, Argonne), AGS (Brookhaven) and Fermilab from 1973 till today. The first studies of the behavior and spin-manipulation of polarized protons helped in developing polarized beams around the world: Brookhaven now has 200 GeV polarized protons in the RHIC collider, perhaps someday the 7 TeV LHC at CERN might have polarized protons.

Understanding the proton's spin structure

Energy Technology Data Exchange (ETDEWEB)

Myhrer, Fred [Univ. of South Carolina, Columbia, SC (United States); Thomas, Anthony W. [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); College of William and Mary, Williamsburg, VA (United States)

2010-02-01

We discuss the tremendous progress that has been towards an understanding of how the spin of the proton is distributed on its quark and gluon constituents. This is a problem that began in earnest twenty years ago with the discovery of the proton "spin crisis" by the European Muon Collaboration. The discoveries prompted by that original work have given us unprecedented insight into the amount of spin carried by polarized gluons and the orbital angular momentum of the quarks.

Hydrogen and deuterium NMR of solids by magic-angle spinning

International Nuclear Information System (INIS)

Eckman, R.R.

1982-10-01

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 1 H with 2 H combined with magic angle rotation. The resolution obtained represents the practical limit for proton NMR of solids

Applications of 1H-NMR relaxometry in experimental liver studies

International Nuclear Information System (INIS)

Holzmueller, P.

1992-01-01

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

NMR investigations of surfaces and interfaces using spin-polarized xenon

International Nuclear Information System (INIS)

Gaede, H.C.; Lawrence Berkeley Lab., CA

1995-07-01

129 Xe NMR is potentially useful for the investigation of material surfaces, but has been limited to high surface area samples in which sufficient xenon can be loaded to achieve acceptable signal to noise ratios. In Chapter 2 conventional 129 Xe NMR is used to study a high surface area polymer, a catalyst, and a confined liquid crystal to determine the topology of these systems. Further information about the spatial proximity of different sites of the catalyst and liquid crystal systems is determined through two dimensional exchange NMR in Chapter 3. Lower surface area systems may be investigated with spin-polarized xenon, which may be achieved through optical pumping and spin exchange. Optically polarized xenon can be up to 10 5 times more sensitive than thermally polarized xenon. In Chapter 4 highly polarized xenon is used to examine the surface of poly(acrylonitrile) and the formation of xenon clathrate hydrates. An attractive use of polarized xenon is as a magnetization source in cross polarization experiments. Cross polarization from adsorbed polarized xenon may allow detection of surface nuclei with drastic enhancements. A non-selective low field thermal mixing technique is used to enhance the 13 C signal of CO 2 of xenon occluded in solid CO 2 by a factor of 200. High-field cross polarization from xenon to proton on the surface of high surface area polymers has enabled signal enhancements of ∼1,000. These studies, together with investigations of the efficiency of the cross polarization process from polarized xenon, are discussed in Chapter 5. Another use of polarized xenon is as an imaging contrast agent in systems that are not compatible with traditional contrast agents. The resolution attainable with this method is determined through images of structured phantoms in Chapter 6

Mixed spin-5/2 and spin-2 Ising ferrimagnetic system on the Bethe lattice

Energy Technology Data Exchange (ETDEWEB)

Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, PB 63 46000, Safi (Morocco); Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014, Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

2015-11-01

The magnetic properties of spins-S and σ Ising model on the Bethe lattice have been investigated by using the Monte Carlo simulation. The thermal total magnetization and magnetization of spins S and σ with the different exchange interactions, different external magnetic field and different temperatures have been studied. The critical temperature and compensation temperature have been deduced. The magnetic hysteresis cycle of Ising ferrimagnetic system on the Bethe lattice has been deduced for different values of exchange interactions between the spins S and σ, for different values of crystal field and for different sizes. The magnetic coercive filed has been deduced. - Highlights: • The magnetic properties of Bethe lattice have been investigated. • The critical temperature and compensation temperature have been deduced. • The magnetic coercive filed has been deduced.

Polarizing a stored proton beam by spin-flip?

Energy Technology Data Exchange (ETDEWEB)

Oellers, Dieter Gerd Christian

2010-04-15

The present thesis discusses the extraction of the electron-proton spin-flip cross-section. The experimental setup, the data analysis and the results are pictured in detail. The proton is described by a QCD-based parton model. In leading twist three functions are needed. The quark distribution, the helicity distribution and the transversity distribution. While the first two are well-known, the transversity distribution is largely unknown. A self-sufficient measurement of the transversity is possible in double polarized proton-antiproton scattering. This rises the need of a polarized antiproton beam. So far spin filtering is the only tested method to produce a polarized proton beam, which may be capable to hold also for antiprotons. In-situ polarization build-up of a stored beam either by selective removal or by spin-flip of a spin-(1)/(2) beam is mathematically described. A high spin-flip cross-section would create an effective method to produce a polarized antiproton beam by polarized positrons. Prompted by conflicting calculations, a measurement of the spin-flip cross-section in low-energy electron-proton scattering was carried out. This experiment uses the electron beam of the electron cooler at COSY as an electron target. The depolarization of the stored proton beam is detected. An overview of the experiment is followed by detailed descriptions of the cycle setup, of the electron target and the ANKE silicon tracking telescopes acting as a beam polarimeter. Elastic protondeuteron scattering is the analyzing reaction. The event selection is depicted and the beam polarization is calculated. Upper limits of the two electron-proton spin-flip cross-sections {sigma} {sub parallel} and {sigma} {sub perpendicular} {sub to} are deduced using the likelihood method. (orig.)

Monte Carlo study of alternate mixed spin-5/2 and spin-2 Ising ferrimagnetic system on the Bethe lattice

Energy Technology Data Exchange (ETDEWEB)

Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, PB 63 46000 Safi (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

2016-01-01

The magnetic properties of alternate mixed spin-5/2 and spin-2 Ising model on the Bethe lattice have been studied by using the Monte Carlo simulations. The ground state phase diagrams of alternate mixed spin-5/2 and spin-2 Ising model on the Bethe lattice has been obtained. The thermal total magnetization and magnetization of spins-5/2 and spin-2 with the different exchange interactions, external magnetic field and temperatures have been studied. The critical temperature have been deduced. The magnetic hysteresis cycle on the Bethe lattice has been deduced for different values of exchange interactions, for different values of crystal field and for different sizes. The magnetic coercive field has been deduced. - Highlights: • The alternate mixed spin-5/2 and -2 on the Bethe lattice is studied. • The critical temperature has been deduced. • The magnetic coercive filed has been deduced.

Acceleration of natural-abundance solid-state MAS NMR measurements on bone by paramagnetic relaxation from gadolinium-DTPA

Science.gov (United States)

Mroue, Kamal H.; Zhang, Rongchun; Zhu, Peizhi; McNerny, Erin; Kohn, David H.; Morris, Michael D.; Ramamoorthy, Ayyalusamy

2014-07-01

Reducing the data collection time without affecting the signal intensity and spectral resolution is one of the major challenges for the widespread application of multidimensional nuclear magnetic resonance (NMR) spectroscopy, especially in experiments conducted on complex heterogeneous biological systems such as bone. In most of these experiments, the NMR data collection time is ultimately governed by the proton spin-lattice relaxation times (T1). For over two decades, gadolinium(III)-DTPA (Gd-DTPA, DTPA = Diethylene triamine pentaacetic acid) has been one of the most widely used contrast-enhancement agents in magnetic resonance imaging (MRI). In this study, we demonstrate that Gd-DTPA can also be effectively used to enhance the longitudinal relaxation rates of protons in solid-state NMR experiments conducted on bone without significant line-broadening and chemical-shift-perturbation side effects. Using bovine cortical bone samples incubated in different concentrations of Gd-DTPA complex, the 1H T1 values were calculated from data collected by 1H spin-inversion recovery method detected in natural-abundance 13C cross-polarization magic angle spinning (CPMAS) NMR experiments. Our results reveal that the 1H T1 values can be successfully reduced by a factor of 3.5 using as low as 10 mM Gd-DTPA without reducing the spectral resolution and thus enabling faster data acquisition of the 13C CPMAS spectra. These results obtained from 13C-detected CPMAS experiments were further confirmed using 1H-detected ultrafast MAS experiments on Gd-DTPA doped bone samples. This approach considerably improves the signal-to-noise ratio per unit time of NMR experiments applied to bone samples by reducing the experimental time required to acquire the same number of scans.

Long-range inverse two-spin correlations in one-dimensional Potts lattices

International Nuclear Information System (INIS)

Tejero, C.F.; Cuesta, J.A.; Brito, R.

1989-01-01

The inverse two-spin correlation function of a one-dimensional three-state Potts lattice with constant nearest-neighbor interactions in a uniform external field is derived exactly. It is shown that the external field induces long-range correlations. The inverse two-spin correlation function decays in a monotonic exponential fashion for a ferromagnetic lattice, while it decays in an oscillatory exponential fashion for an antiferromagnetic lattice. With no external field the inverse two-spin correlation function has a finite range equal to that of the interactions

Transverse Single-Spin Asymmetries in Proton-Proton Collisions at the AFTER@LHC Experiment

Directory of Open Access Journals (Sweden)

K. Kanazawa

2015-01-01

Full Text Available We present results for transverse single-spin asymmetries in proton-proton collisions at kinematics relevant for AFTER, a proposed fixed-target experiment at the Large Hadron Collider. These include predictions for pion, jet, and direct photon production from analytical formulas already available in the literature. We also discuss specific measurements that will benefit from the higher luminosity of AFTER, which could help resolve an almost 40-year puzzle of what causes transverse single-spin asymmetries in proton-proton collisions.

Spin-Lattice Coupling and Superconductivity in Fe Pnictides

Directory of Open Access Journals (Sweden)

T. Egami

2010-01-01

Full Text Available We consider strong spin-lattice and spin-phonon coupling in iron pnictides and discuss its implications on superconductivity. Strong magneto-volume effect in iron compounds has long been known as the Invar effect. Fe pnictides also exhibit this effect, reflected in particular on the dependence of the magnetic moment on the atomic volume of Fe defined by the positions of the nearest neighbor atoms. Through the phenomenological Landau theory, developed on the basis of the calculations by the density functional theory (DFT and the experimental results, we quantify the strength of the spin-lattice interaction as it relates to the Stoner criterion for the onset of magnetism. We suggest that the coupling between electrons and phonons through the spin channel may be sufficiently strong to be an important part of the superconductivity mechanism in Fe pnictides.

Recent trends on NMR imaging in UK and USA

Energy Technology Data Exchange (ETDEWEB)

Endo, Masahiro [National Inst. of Radiological Sciences, Chiba (Japan)

1981-12-01

The development of nuclear magnetic resonance (NMR) by major research centers and manufacturers is reviewed. The spin warp method is used at Aberdeen University, and the T1 images of esophageal cancer and hepatic metastasis obtained by this method are shown. The Moore group at Nottingham University developed an instrument to scan the head region, and it produces spatial resolution comparable to x-ray computed tomography. The transverse image of the thorax obtained by the QED-80 developed by FONAR (U.S.A.) is shown. It uses field focusing NMR, and can measure spin density, T1, T2 and NMR spectrum, but its precision is slightly lowered because fewer proton spins are activated. These methods all measure the proton distribution in vivo, but with the TMR developed by Oxford Research Co. (U.K.) high resolution spectra of phosphorus 31 compounds can be obtained. The NMR spectra obtained for the phosphorus compounds in the muscle is shown. The rate of the phosphorus compounds such as ATP, ADP creatine phosphate and inorganic phosphate are markedly changed by exercise or depending on the blood flow.

Self-similarity of proton spin and asymmetry of jet production

International Nuclear Information System (INIS)

Tokarev, M.V.; Zborovsky, I.

2014-01-01

Self-similarity of jet production in polarized p + p collisions is studied. The concept of z-scaling is applied for description of inclusive spectra obtained with different orientations of proton spin. New data on the double longitudinal spin asymmetry, A LL , of jets produced in proton-proton collisions at √s = 200 GeV measured by the STAR Collaboration at RHIC are analyzed in the z-scaling approach. Hypotheses of self-similarity and fractality of internal spin structure are formulated. A possibility to extract information on spin-dependent fractal dimensions of proton from the asymmetry of jet production is justified. The spin-dependent fractal dimensions for the process p-bar+p-bar→jet+X are estimated.

A spin-orbital-entangled quantum liquid on a honeycomb lattice

Science.gov (United States)

Kitagawa, K.; Takayama, T.; Matsumoto, Y.; Kato, A.; Takano, R.; Kishimoto, Y.; Bette, S.; Dinnebier, R.; Jackeli, G.; Takagi, H.

2018-02-01

The honeycomb lattice is one of the simplest lattice structures. Electrons and spins on this simple lattice, however, often form exotic phases with non-trivial excitations. Massless Dirac fermions can emerge out of itinerant electrons, as demonstrated experimentally in graphene, and a topological quantum spin liquid with exotic quasiparticles can be realized in spin-1/2 magnets, as proposed theoretically in the Kitaev model. The quantum spin liquid is a long-sought exotic state of matter, in which interacting spins remain quantum-disordered without spontaneous symmetry breaking. The Kitaev model describes one example of a quantum spin liquid, and can be solved exactly by introducing two types of Majorana fermion. Realizing a Kitaev model in the laboratory, however, remains a challenge in materials science. Mott insulators with a honeycomb lattice of spin-orbital-entangled pseudospin-1/2 moments have been proposed, including the 5d-electron systems α-Na2IrO3 (ref. 5) and α-Li2IrO3 (ref. 6) and the 4d-electron system α-RuCl3 (ref. 7). However, these candidates were found to magnetically order rather than form a liquid at sufficiently low temperatures, owing to non-Kitaev interactions. Here we report a quantum-liquid state of pseudospin-1/2 moments in the 5d-electron honeycomb compound H3LiIr2O6. This iridate does not display magnetic ordering down to 0.05 kelvin, despite an interaction energy of about 100 kelvin. We observe signatures of low-energy fermionic excitations that originate from a small number of spin defects in the nuclear-magnetic-resonance relaxation and the specific heat. We therefore conclude that H3LiIr2O6 is a quantum spin liquid. This result opens the door to finding exotic quasiparticles in a strongly spin-orbit-coupled 5d-electron transition-metal oxide.

NMR studies of spin excitations in superconducting Bi2Sr2CaCu2O8+δ single crystals

Science.gov (United States)

Takigawa, M.; Mitzi, D. B.

1994-08-01

The oxygen NMR shift and the Cu nuclear spin-lattice relaxation rate (1/T1) were measured in Bi2.1Sr1.9Ca0.9Cu2.1O8+δ single crystals. While both the shift and 1/(T1T) decrease sharply near Tc, 1/(T1T) becomes nearly constant at low temperatures, indicating a gapless superconducting state with finite density of states at the Fermi level. From the oxygen shift data, the residual spin susceptibility at T=0 is estimated to be 10% of the value at room temperature. Our results are most consistent with a d-wave pairing model with strong (resonant) impurity scattering.

Measurement of the proton spin structure function g1p

International Nuclear Information System (INIS)

Pussieux, T.

1994-10-01

In order to check the Bjorken sum rule and confirm the EMC surprising conclusion on the spin structure of the proton, the measurement of the spin structure function of the proton has been performed by the Spin Muon Collaboration via the polarized muon nucleon deep inelastic scattering. The results of the 1993 run are presented within a kinematical range of 0.003 2 = 10 GeV 2 . The first moment of the polarized spin structure function g 1 p is found to be two standard deviations below the Ellis-Jaffe sum rule. Assuming SU(3) for hyperons β decays, the quark spin contribution to the proton spin is extracted. Combining all available data on proton, neutron and deuton, The Bjorken sum rule is confirmed within 10%. (author). 25 refs., 3 figs., 2 tabs

A low-temperature derivation of spin-spin exchange in Kondo lattice model

International Nuclear Information System (INIS)

Feng Szeshiang; Mochena, Mogus

2005-01-01

Using Hubbard-Stratonovich transformation and drone-fermion representations for spin-12 and for spin-32, which is presented for the first time, we make a path-integral formulation of the Kondo lattice model. In the case of weak coupling and low temperature, the functional integral over conduction fermions can be approximated to the quadratic order and this gives the well-known RKKY interaction. In the case of strong coupling, the same quadratic approximation leads to an effective local spin-spin interaction linear in hopping energy t

A low-temperature derivation of spin-spin exchange in Kondo lattice model

Energy Technology Data Exchange (ETDEWEB)

Feng Szeshiang [Physics Department, Florida A and M University, Tallahassee, FL 32307 (United States)]. E-mail: shixiang.feng@famu.edu; Mochena, Mogus [Physics Department, Florida A and M University, Tallahassee, FL 32307 (United States)

2005-11-01

Using Hubbard-Stratonovich transformation and drone-fermion representations for spin-12 and for spin-32, which is presented for the first time, we make a path-integral formulation of the Kondo lattice model. In the case of weak coupling and low temperature, the functional integral over conduction fermions can be approximated to the quadratic order and this gives the well-known RKKY interaction. In the case of strong coupling, the same quadratic approximation leads to an effective local spin-spin interaction linear in hopping energy t.

Efficiency of free-energy calculations of spin lattices by spectral quantum algorithms

International Nuclear Information System (INIS)

Master, Cyrus P.; Yamaguchi, Fumiko; Yamamoto, Yoshihisa

2003-01-01

Ensemble quantum algorithms are well suited to calculate estimates of the energy spectra for spin-lattice systems. Based on the phase estimation algorithm, these algorithms efficiently estimate discrete Fourier coefficients of the density of states. Their efficiency in calculating the free energy per spin of general spin lattices to bounded error is examined. We find that the number of Fourier components required to bound the error in the free energy due to the broadening of the density of states scales polynomially with the number of spins in the lattice. However, the precision with which the Fourier components must be calculated is found to be an exponential function of the system size

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.

Ground-state magnetization of the molecular cluster Mn12O12-acetate as seen by proton NMR

International Nuclear Information System (INIS)

Furukawa, Y.; Watanabe, K.; Kumagai, K.; Jang, Z. H.; Lascialfari, A.; Borsa, F.; Gatteschi, D.

2000-01-01

1 H nuclear magnetic resonance (NMR) measurements have been carried out in Mn 12 O 12 -acetate clusters at low temperature in order to investigate microscopically the static and dynamic magnetic properties of the molecule in its high-spin S=10 ground state. Below liquid helium temperature it is found that the local hyperfine fields at the proton sites are static as expected for the very slow superparamagnetic relaxation of Mn 12 O 12 at low temperature. The magnitude and distribution of the hyperfine fields can be reproduced to a good approximation by considering only the dipolar interaction of protons with the local Mn magnetic moments and by assigning the magnitude and orientation of the local moments of the different Mn 3+ and Mn 4+ ions according to an accepted coupling scheme for the total S=10 ground state. The relaxation time of the macroscopic magnetization of the cluster was measured by monitoring the change of the intensity of the 1 H-NMR shifted lines following inversion of the applied magnetic field. This is possible because the sudden change of the field orientation changes the sign of the shift of the NMR lines in the proton spectrum. Although important differences are noticed, the relaxation time of the magnetization as measured indirectly by the 1 H-NMR method is comparable to the one obtained directly with a superconducting quantum interference device magnetometer. In particular we could reproduce the minima in the relaxation time as a function of magnetic field at the fields for level crossing, minima which are considered to be a signature of the quantum tunneling of the magnetization

Evaluation of PHB/Clay nanocomposite by spin-lattice relaxation time

Directory of Open Access Journals (Sweden)

Mariana Bruno

2008-12-01

Full Text Available Poly(3-hydroxybutyrate (PHB based on nanocomposites containing different amounts of a commercial organically modified clay (viscogel B7 were prepared employing solution intercalation method. Three solvents, such as: CHCl3, dimethylchloride (DMC and tetrahydrofuran (THF were used. The relationship among the processing conditions; molecular structure and intermolecular interaction, between both nanocomposite components, were investigated using a nuclear magnetic resonance (NMR, as a part of characterization methodology, which has been used by Tavares et al. It involves the hydrogen spin-lattice relaxation time, T1H, by solid state nuclear magnetic resonance, employing low field NMR. X ray diffraction was also employed because it is a conventional technique, generally used to obtain the first information on nanocomposite formation. Changes in PHB crystallinity were observed after the organophilic nanoclay had been incorporated in the polymer matrix. These changes, in the microstructure, were detected by the variation of hydrogen nuclear relaxation time values and by X ray, which showed an increase in the clay interlamelar space due to the intercalation of the polymer in the clay between lamellae. It was also observed, for both techniques, that the solvents affect directly the organization of the crystalline region, promoting a better intercalation, considering that they behave like a plasticizer.

Mixed spin-((1)/(2)) and spin-1 Blume-Capel Ising ferrimagnetic system on the Bethe lattice

International Nuclear Information System (INIS)

Albayrak, Erhan; Keskin, Mustafa

2003-01-01

The mixed spin-((1)/(2)) and spin-1 Blume-Capel Ising ferrimagnetic system is studied on the Bethe lattice by using the exact recursion equations. Exact expressions for the magnetization, the quadrupolar moment, the Curie temperature and the free energy are found and the phase diagrams are constructed on the Bethe lattice with the coordination numbers q=3, 4, 5 and 6. The existence of a tricritical point is investigated for different values of q. The results are compared with those of other approximate methods and with the exact result on the Bethe lattice by using a discrete nonlinear map and also the exact results that are available for the case of the honeycomb lattice

Experimental determination of the complete spin structure for anti-proton + proton -> anti-\\Lambda + \\Lambda at anti-proton beam momentum of 1.637 GeV/c

CERN Document Server

Paschke, K.D.; Berdoz, A.; Franklin, G.B.; Khaustov, P.; Meyer, C.A.; Bradtke, C.; Gehring, R.; Goertz, S.; Harmsen, J.; Meier, A.; Meyer, W.; Radtke, E.; Reicherz, G.; Dutz, H.; Pluckthun, M.; Schoch, B.; Dennert, H.; Eyrich, W.; Hauffe, J.; Metzger, A.; Moosburger, M.; Stinzing, F.; Wirth, St.; Fischer, H.; Franz, J.; Heinsius, F.H.; Kriegler, E.; Schmitt, H.; Bunker, B.; Hertzog, D.; Jones, T.; Tayloe, R.; Broders, R.; Geyer, R.; Kilian, K.; Oelert, W.; Rohrich, K.; Sachs, K.; Sefzick, T.; Bassalleck, B.; Eilerts, S.; Fields, D.E.; Kingsberry, P.; Lowe, J.; Stotzer, R.; Johansson, T.; Pomp, S.; Wirth, St.

2006-01-01

The reaction anti-proton + proton -> anti-\\Lambda + \\Lambda -> anti-proton + \\pi^+ + proton + \\pi^- has been measured with high statistics at anti-proton beam momentum of 1.637 GeV/c. The use of a transversely-polarized frozen-spin target combined with the self-analyzing property of \\Lambda/anti-\\Lambda decay allows access to unprecedented information on the spin structure of the interaction. The most general spin-scattering matrix can be written in terms of eleven real parameters for each bin of scattering angle, each of these parameters is determined with reasonable precision. From these results all conceivable spin-correlations are determined with inherent self-consistency. Good agreement is found with the few previously existing measurements of spin observables in anti-proton + proton -> anti-\\Lambda + \\Lambda near this energy. Existing theoretical models do not give good predictions for those spin-observables that had not been previously measured.

Classification and properties of quantum spin liquids on the hyperhoneycomb lattice

Science.gov (United States)

Huang, Biao; Choi, Wonjune; Kim, Yong Baek; Lu, Yuan-Ming

2018-05-01

The family of "Kitaev materials" provides an ideal platform to study quantum spin liquids and their neighboring magnetic orders. Motivated by the possibility of a quantum spin liquid ground state in pressurized hyperhoneycomb iridate β -Li2IrO3 , we systematically classify and study symmetric quantum spin liquids on the hyperhoneycomb lattice, using the Abrikosov-fermion representation. Among the 176 symmetric U (1 ) spin liquids (and 160 Z2 spin liquids), we identify eight "root" U (1 ) spin liquids in proximity to the ground state of the solvable Kitave model on the hyperhonecyomb lattice. These eight states are promising candidates for possible U (1 ) spin liquid ground states in pressurized β -Li2IrO3 . We further discuss physical properties of these eight U (1 ) spin liquid candidates, and show that they all support nodal-line-shaped spinon Fermi surfaces.

Possible quadrupolar nematic phase in the frustrated spin chain LiCuSbO4: An NMR investigation

Science.gov (United States)

Bosiočić, M.; Bert, F.; Dutton, S. E.; Cava, R. J.; Baker, P. J.; Požek, M.; Mendels, P.

2017-12-01

The frustrated one-dimensional quantum magnet LiCuSbO4 is a rare realization of the J1-J2 spin chain model with an easily accessible saturation field, formerly estimated at 12 T. Exotic multipolar nematic phases were theoretically predicted in such compounds just below the saturation field, but without unambiguous experimental observation so far. In this paper we present extensive experimental research on the compound in a wide temperature (30 mK to 300 K) and field (0-13.3 T) range by muon spin rotation (μ SR ), 7Li nuclear magnetic resonance (NMR), and magnetic susceptibility (SQUID). μ SR experiments in zero magnetic field demonstrate the absence of long-range 3D ordering down to 30 mK. Together with former heat capacity data [Dutton et al., Phys. Rev. Lett. 108, 187206 (2012), 10.1103/PhysRevLett.108.187206], magnetic susceptibility measurements suggest a short-range-correlated vector chiral phase in the field range 0-4 T. At the intermediate-field values (5-12 T), the system enters a 3D-ordered spin density wave phase with 0.75 μB per copper site at lowest temperatures (125 mK), estimated by NMR. At still higher field, the magnetization is found to be saturated above 13 T where the spin lattice T1-1 relaxation reveals a spin gap estimated at 3.2(2) K. We narrow down the possibility of observing a multipolar nematic phase to the range 12.5-13 T.

The "Proton Spin Crisis" — a Quantum Query

Directory of Open Access Journals (Sweden)

Hansson J.

2010-07-01

Full Text Available The “proton spin crisis” was introduced in the late 1980s, when the EMC-experiment revealed that little or nothing of a proton’s spin seemed to be carried by its quarks. The main objective of this paper is to point out that it is wrong to assume that the proton spin, as measured by completely different experimental setups, should be the same in all circumstances, an assumption explicitly made in all present theoretical treatments of the “crisis”. As spin is a genuine quantum property, without any objective existence outside its measuring apparatus context, proper account of quantum mechanical measurement theory must be taken.

Thermal Fluctuations in the Magnetic Ground State of the Molecular Cluster Mn12O12 Acetate from μSR and Proton NMR Relaxation

International Nuclear Information System (INIS)

Lascialfari, A.; Borsa, F.; Carretta, P.; Jang, Z.H.; Borsa, F.; Gatteschi, D.

1998-01-01

Measurements of the spin-lattice relaxation rate are reported for muons and protons as a function of temperature for different values of the applied magnetic field in the Mn 12 O 12 molecular cluster. Strongly field dependent maxima in the relaxation rate versus temperature are observed below 50thinspthinspK. The results are explained in terms of thermal fluctuations of the total magnetization of the cluster among the different orientations with respect to the anisotropy axis. The lifetimes of the different m components of the total spin, S T =10 , of the molecule are obtained from the experiment and shown to be consistent with the ones expected from a spin-phonon coupling mechanism. No clear evidence for macroscopic quantum tunneling was observed in the field dependence of the proton relaxation rate at low T . copyright 1998 The American Physical Society

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

Tunneling splitting of magnetic levels in Fe8 detected by 1H NMR cross relaxation

OpenAIRE

Furukawa, Y.; Aizawa, K.; Kumagai, K.; Ullu, R.; Lascialfari, A.; Borsa, F.

2003-01-01

Measurements of proton NMR and the spin lattice relaxation rate 1/T1 in the octanuclear iron (III) cluster [Fe8(N3C6H15)6O2(OH)12][Br8 9H2O], in short Fe8, have been performed at 1.5 K in a powder sample aligned along the main anisotropy z axis, as a function of a transverse magnetic field (i.e., perpendicular to the main easy axis z). A big enhancement of 1/T1 is observed over a wide range of fields (2.5-5 T), which can be attributed to the tunneling dynamics; in fact, when the tunneling spl...

Polarizing a stored proton beam by spin flip?

International Nuclear Information System (INIS)

Oellers, D.; Barion, L.; Barsov, S.; Bechstedt, U.; Benati, P.; Bertelli, S.; Chiladze, D.; Ciullo, G.; Contalbrigo, M.; Dalpiaz, P.F.; Dietrich, J.; Dolfus, N.; Dymov, S.; Engels, R.; Erven, W.; Garishvili, A.; Gebel, R.; Goslawski, P.

2009-01-01

We discuss polarizing a proton beam in a storage ring, either by selective removal or by spin flip of the stored ions. Prompted by recent, conflicting calculations, we have carried out a measurement of the spin-flip cross section in low-energy electron-proton scattering. The experiment uses the cooling electron beam at COSY as an electron target. The measured cross sections are too small for making spin flip a viable tool in polarizing a stored beam. This invalidates a recent proposal to use co-moving polarized positrons to polarize a stored antiproton beam.

LipSpin: A New Bioinformatics Tool for Quantitative 1H NMR Lipid Profiling.

Science.gov (United States)

Barrilero, Rubén; Gil, Miriam; Amigó, Núria; Dias, Cintia B; Wood, Lisa G; Garg, Manohar L; Ribalta, Josep; Heras, Mercedes; Vinaixa, Maria; Correig, Xavier

2018-02-06

The structural similarity among lipid species and the low sensitivity and spectral resolution of nuclear magnetic resonance (NMR) have traditionally hampered the routine use of 1 H NMR lipid profiling of complex biological samples in metabolomics, which remains mostly manual and lacks freely available bioinformatics tools. However, 1 H NMR lipid profiling provides fast quantitative screening of major lipid classes (fatty acids, glycerolipids, phospholipids, and sterols) and some individual species and has been used in several clinical and nutritional studies, leading to improved risk prediction models. In this Article, we present LipSpin, a free and open-source bioinformatics tool for quantitative 1 H NMR lipid profiling. LipSpin implements a constrained line shape fitting algorithm based on voigt profiles and spectral templates from spectra of lipid standards, which automates the analysis of severely overlapped spectral regions and lipid signals with complex coupling patterns. LipSpin provides the most detailed quantification of fatty acid families and choline phospholipids in serum lipid samples by 1 H NMR to date. Moreover, analytical and clinical results using LipSpin quantifications conform with other techniques commonly used for lipid analysis.

Spin-dependent potentials from lattice QCD

International Nuclear Information System (INIS)

Koma, Y.

2006-09-01

The spin-dependent corrections to the static inter-quark potential are phenomenologically relevant to describing the fine and hyperfine spin splitting of the heavy quarkonium spectra. We investigate these corrections, which are represented as the field strength correlators on the quark-antiquark source, in SU(3) lattice gauge theory. We use the Polyakov loop correlation function as the quark-antiquark source, and by employing the multi-level algorithm, we obtain remarkably clean signals for these corrections up to intermediate distances of around 0.6 fm. Our observation suggests several new features of the corrections. (orig.)

NMR signal analysis in the large COMPASS $^{14}$NH$_{3}$ target

CERN Document Server

Koivuniemi, J; Hess, C; Kisselev, Y U; Meyer, W; Radtke, E; Reicherz, G; Doshita, N; Iwata, T; Kondo, K; Michigami, T

2009-01-01

In the large COMPASS polarized proton target the 1508 cm$^{3}$ of irradiated granular ammonia is polarized with dynamic nuclear polarization method using 4 mm microwaves in 2.5 T eld. The nuclear polarization up to 90 - 93 % is determined with cw NMR. The properties of the observed ammonia proton signals are described and spin thermodynamics in high elds is presented. Also the second moment of the NMR line is estimated.

Mesoporous Silica Nanoparticles Loaded with Surfactant: Low Temperature Magic Angle Spinning 13C and 29Si NMR Enhanced by Dynamic Nuclear Polarization

Energy Technology Data Exchange (ETDEWEB)

Lafon, Olivier [Universite de Lille Nord de France; Thankamony, Aany S. Lilly [Universite de Lille Nord de France; Kokayashi, Takeshi [Ames Laboratory; Carnevale, Diego [Ecole Polytechnique Federale de Lausanne; Vitzthum, Veronika [Ecole Polytechnique Federale de Lausanne; Slowing, Igor I. [Ames Laboratory; Kandel, Kapil [Ames Laboratory; Vezin, Herve [Universite de Lille Nord de France; Amoureux, Jean-Paul [Universite de Lille Nord de France; Bodenhausen, Geoffrey [Ecole Polytechnique Federale de Lausanne; Pruski, Marek [Ames Laboratory

2012-12-21

We show that dynamic nuclear polarization (DNP) can be used to enhance NMR signals of 13C and 29Si nuclei located in mesoporous organic/inorganic hybrid materials, at several hundreds of nanometers from stable radicals (TOTAPOL) trapped in the surrounding frozen disordered water. The approach is demonstrated using mesoporous silica nanoparticles (MSN), functionalized with 3-(N-phenylureido)propyl (PUP) groups, filled with the surfactant cetyltrimethylammonium bromide (CTAB). The DNP-enhanced proton magnetization is transported into the mesopores via 1H–1H spin diffusion and transferred to rare spins by cross-polarization, yielding signal enhancements εon/off of around 8. When the CTAB molecules are extracted, so that the radicals can enter the mesopores, the enhancements increase to εon/off ≈ 30 for both nuclei. A quantitative analysis of the signal enhancements in MSN with and without surfactant is based on a one-dimensional proton spin diffusion model. The effect of solvent deuteration is also investigated.

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.

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

International Nuclear Information System (INIS)

Thurber, Kent R.; Tycko, Robert

2014-01-01

We report solid state 13 C and 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, 1 H and cross-polarized 13 C NMR signals from 15 N, 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 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

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

Science.gov (United States)

Thurber, Kent R; Tycko, Robert

2014-05-14

We report solid state (13)C and (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, (1)H and cross-polarized (13)C NMR signals from (15)N,(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 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.

Solid state NMR study of cumbaru flour

International Nuclear Information System (INIS)

Nogueira, Jose S.; Bathista, Andre L.B.S.; Silva, Emerson O.; Priante Filho, Nicolau; Tavares, Maria I.B.

2001-01-01

The polysaccharide obtained by seed of Dipteryx alata Vog, has been characterised by 13 C solid state, using the basic routine techniques, like MAS and CPMAS and by the proton spin-lattice relaxation time in the rotating frame parameter (T 1 H ρ). Knowing that the chemical structure and molecular dynamic are extremely necessary route to obtain information on the polysaccharides, this work contributes to the classification of the seed containing in the cumbaru fruit to get response on its application. To obtain the initial responses for our purposes some solid state NMR techniques were chosen. The CPMAS 13 C NMR spectrum of the polysaccharide was investigated to know if it has some crystallinity. The MAS 13 C NMR spectrum showed the presence of domains with distinct molecular mobility, because these domains will differ basically in the distribution size and chain packing. The variable contact time experiment was used to analyse the distribution form of 13 C decays, which give us more information about sample heterogeneity. The T 1 H ρHr values were obtained from the variable contact time and by delayed contact time experiment, because these parameter indicate the order of polysaccharides. From the values of this parameter, we found that this polysaccharide is completely non-ordered. (author)

RHIC spin: The first polarized proton collider

International Nuclear Information System (INIS)

Roser, T.

1994-01-01

The very successful program of QCD and electroweak tests at the high energy hadron colliders have shown that the perturbative QCD has progressed towards becoming a ''precision'' theory. At the same time, it has been shown that with the help of Siberian Snakes it is feasible to accelerate polarized protons to high enough energies where the proven methods of collider physics can be used to probe the spin content of the proton but also where fundamental tests of the spin effects in the standard model are possible. With Siberian Snakes the Relativistic Heavy Ion Collider (RHIC) will be the first collider to allow for 250 GeV on 250 GeV polarized proton collisions

Measurement of the proton $A_1$ and $A_2$ spin asymmetries. Probing Color Forces

Energy Technology Data Exchange (ETDEWEB)

Armstrong, Whitney [Temple University, Philadelphia, PA (United States)

2015-05-01

The Spin Asymmetries of the Nucleon Experiment (SANE) measured the proton spin structure function $g_2$ in a range of Bjorken x, 0.3 < x < 0.8, where extraction of the twist-3 matrix element $d_2^p$ (an integral of $g_2$ weighted by $x^2$) is most sensitive. The data was taken from $Q^2$ equal to 2.5 $GeV^2$ up to 6.5 $GeV^2$. In this polarized electron scattering off a polarized hydrogen target experiment, two double spin asymmetries, A∥ and A⊥ were measured using the BETA (Big Electron Telescope Array) Detector. BETA consisted of a scintillator hodoscope, gas Cerenkov counter, lucite hodoscope and a large lead glass electromagnetic calorimeter. With a unique open geometry, a threshold gas Cerenkov detector allowed BETA to cleanly identify electrons for this inclusive experiment. A measurement of $d_2^p$ is compared to lattice QCD calculations.

Block spins and chirality in Heisenberg model on Kagome and triangular lattices

International Nuclear Information System (INIS)

Subrahmanyam, V.

1994-01-01

The spin-1/2 Heisenberg model (HM) is investigated using a block-spin renormalization approach on Kagome and triangular lattices. In both cases, after coarse graining the triangles on original lattice and truncation of the Hilbert space to the triangular ground state subspace, HM reduces to an effective model on a triangular lattice in terms of the triangular-block degrees of freedom viz. the spin and the chirality quantum numbers. The chirality part of the effective Hamiltonian captures the essential difference between the two lattices. It is seen that simple eigenstates can be constructed for the effective model whose energies serve as upper bounds on the exact ground state energy of HM, and chiral ordered variational states have high energies compared to the other variational states. (author). 12 refs, 2 figs

Innovative spin precessor for intermediate energy protons

International Nuclear Information System (INIS)

Hoffman, E.W.

1979-01-01

A spin precessor has been designed to provide arbitrary orientation of the polarization in the external proton beam at LAMPF. The device utilizes two superconducting solenoids, three conventional dipoles, and conversion of polarized H - to H + to provide an achromatic, undeflected beam with tunable spin orientation over a range of energies from 400 MeV to 800 MeV. A portion of this device is being installed to provide compatibility between two facilities which simultaneously use two branches of the external proton beam at LAMPF

Spin asymmetry in proton-proton collisions as a probe of sea and gluon polarization in a proton

International Nuclear Information System (INIS)

Cheng, H.; Lai, S.

1990-01-01

Quark and gluon spin densities in a proton are phenomenologically parametrized based on the European Muon Collaboration (EMC) data and on some plausible theoretical arguments. Four different characteristic values of gluon and sea polarizations suggested by various theoretical conjectures are considered. The sea polarization in a proton is probed by measuring the spin-spin asymmetry A LL DY in the Drell-Yan process, while the helicity asymmetry A LL γ in direct photon production at high p T is employed to test the gluon spin content. Helicity asymmetries in both processes are quite sizable. A LL DY is positive and of order 10 -1 if the sea is polarized opposite to the proton spin, as suggested by the EMC data. However, even in the absence of the sea polarization at the EMC energies, we find A LL DY to be large and negative. Experimental measurements of A LL DY and A LL γ together will not only provide a clean probe of sea and gluon polarizations, but also test whether the combination Δs-(α s /4π)ΔG inferred from the EMC data is valid, i.e., whether gluons contribute to the spin-dependent structure function g 1 p (x,Q 2 ) via the triangular anomaly

Gaussian-approximation formalism for evaluating decay of NMR spin echoes

International Nuclear Information System (INIS)

Recchia, C.H.; Gorny, K.; Pennington, C.H.

1996-01-01

We present a formalism for evaluating the amplitude of the NMR spin echo and stimulated echo as a function of pulse spacings, for situations in which the nuclear spins experience an effective longitudinal magnetic field h z (t) resulting from an arbitrary number of independent sources, each characterized by its own arbitrary time correlation function. The distribution of accumulated phase angles for the ensemble of nuclear spins at the time of the echo is approximated as a Gaussian. The development of the formalism is motivated by the need to understand the transverse relaxation of 89 Y in YBa 2 Cu 3 O 7 , in which the 89 Y experiences 63,65 Cu dipolar fields which fluctuate due to 63,65 Cu T 1 processes. The formalism is applied successfully to this example, and to the case of nuclei diffusing in a spatially varying magnetic field. Then we examine a situation in which the approximation fails emdash the classic problem of chemical exchange in dimethylformamide, where the methyl protons experience a chemical shift which fluctuates between two discrete values. In this case the Gaussian approximation yields a monotonic decay of the echo amplitude with increasing pulse spacing, while the exact solution yields distinct open-quote open-quote beats close-quote close-quote in the echo height, which we confirm experimentally. In light of this final example the limits of validity of the approximation are discussed. copyright 1996 The American Physical Society

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)

Spin flipping a stored polarized proton beam

International Nuclear Information System (INIS)

Caussyn, D.D.; Derbenev, Y.S.; Ellison, T.J.P.; Lee, S.Y.; Rinckel, T.; Schwandt, P.; Sperisen, F.; Stephenson, E.J.; von Przewoski, B.; Blinov, B.B.; Chu, C.M.; Courant, E.D.; Crandell, D.A.; Kaufman, W.A.; Krisch, A.D.; Nurushev, T.S.; Phelps, R.A.; Ratner, L.G.; Wong, V.K.; Ohmori, C.

1994-01-01

We recently studied the spin flipping of a vertically polarized, stored 139-MeV proton beam. To flip the spin, we induced an rf depolarizing resonance by sweeping our rf solenoid magnet's frequency through the resonance frequency. With multiple spin flips, we found a polarization loss of 0.0000±0.0005 per spin flip under the best conditions; this loss increased significantly for small changes in the conditions. Minimizing the depolarization during each spin flip is especially important because frequent spin flipping could significantly reduce the systematic errors in stored polarized-beam experiments

A study of the internal spin structure of the proton through polarized deep inelastic muon-proton scattering

International Nuclear Information System (INIS)

Piegaia, R.N.

1988-01-01

This thesis presents a study of the internal spin structure of the proton through the measurement performed by the European Muon Collaboration, EMC, at the European Center for Nuclear Research, CERN, of the spin asymmetry in the deep-inelastic scattering of longitudinally polarized muons by longitudinally polarized protons. The data obtained considerably extend the kinematic range covered by a previous lower-energy polarized electron-proton scattering experiment. Although the results were found to be in agreement in the region of overlap, the study of the low x range (0.01 1 p was computed and found to be in disagreement with the Ellis-Jaffe sum rule. The result seems to indicate that only a small fraction of the proton spin originates from the spins of the quarks

Peptides containing internal residues of pyroglutamic acid: proton NMR characteristics

International Nuclear Information System (INIS)

Khan, S.A.

1986-01-01

The proton NMR characteristics of internal pyroglutamic acid (Glp; 5-oxoproline) residues in seven tripeptides of the general structure Boc-Xxx-Glp-Yyy-NH 2 were studied. In general, the chemical shifts of several diagnostic protons moved downfield on going from the Glu-containing peptides (Boc-Xxx-Glu-Yyy-NH 2 ) to the corresponding Glp-containing peptides. The C-2 proton of the Xxx residue was shifted by about 1.1 ppm. The N-2 proton of the Yyy residue was shifted by about 0.5 ppm. The C-2 proton of the Glx residue itself was shifted by about 0.5 ppm. One of the Glx C-3 protons was also shifted by about 0.5 ppm, but the other remained essentially unchanged. Finally, the Glx C-4 protons were shifted by about 0.3 ppm. Internal Glu residues are readily converted chemically into internal Glp residues. This conversion also occurs as a side reaction during HP cleavage of the protecting group from Glu(OBzl) residues. The spontaneous fragmentation of serum proteins C3, C4 and λ 2 -macroglobulin under denaturing conditions is probably due to regioselective hydrolysis of an internal Glp residue formed in each of these proteins upon denaturation. These proton NMR characteristics may be useful in establishing the presence of internal Glp residues in synthetic and natural peptides

{sup 119}Sn-NMR investigations on superconducting Ca{sub 3}Ir{sub 4}Sn{sub 13}: Evidence for multigap superconductivity

Energy Technology Data Exchange (ETDEWEB)

Sarkar, R., E-mail: rajibsarkarsinp@gmail.com [Institute for Solid State Physics, TU Dresden, D-01069 Dresden (Germany); Brückner, F.; Günther, M. [Institute for Solid State Physics, TU Dresden, D-01069 Dresden (Germany); Wang, Kefeng; Petrovic, C. [Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY 11973 (United States); Biswas, P.K.; Luetkens, H.; Morenzoni, E.; Amato, A. [Laboratory for Muon Spin Spectroscopy, Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Klauss, H-H. [Institute for Solid State Physics, TU Dresden, D-01069 Dresden (Germany)

2015-12-15

We report bulk superconductivity (SC) in Ca{sub 3}Ir{sub 4}Sn{sub 13} by means of {sup 119}Sn nuclear magnetic resonance (NMR) experiments. Two classical signatures of BCS superconductivity in spin-lattice relaxation rate (1/T{sub 1}), namely the Hebel–Slichter coherence peak just below the T{sub c}, and the exponential decay in the superconducting phase, are evident. The noticeable decrease of {sup 119}Sn Knight shift below T{sub c} indicates spin-singlet superconductivity. The temperature dependence of the spin-lattice relaxation rate {sup 119}(1/T{sub 1}) is convincingly described by the multigap isotropic superconducting gap. NMR experiments do not witness any sign of enhanced spin fluctuations.

Coexistence of spin frozen state and persistent spin dynamics in NaSrCo{sub 2}F{sub 7} as probed by μSR and NMR

Energy Technology Data Exchange (ETDEWEB)

Dengre, Shanu; Sarkar, Rajib; Braeuninger, Sascha Albert; Brueckner, Felix; Materne, Philipp; Klauss, Hans-Henning [Institute for Solid State Physics, TU Dresden (Germany); Krizan, Jason W.; Cava, Robert J. [Department of Chemistry, Princeton University, Princeton, NJ (United States); Luetkens, Hubertus; Baines, Chris [Laboratory for Muon-Spin Spectroscopy, Paul Scherrer Institute, Villigen (Switzerland)

2016-07-01

{sup 23}Na -and {sup 19}F NMR, and μSR experiments are performed to explore the microscopic properties of NaSrCo{sub 2}F{sub 7}, which is a newly discovered magnetically frustrated pyrochlore with weak bond disorder and with a frustration index of f = 42. While {sup 23}Na and {sup 19}F NMR experiments clearly suggest the presence of quasi static field distribution below ∝3 K as reflected in the huge NMR line broadening and wipe out effect of NMR signal intensity, μSR experiments on the other hand remains passive to this spin frozen state. Both NMR and μSR results indicate the slowing down of the magnetic (spin) fluctuations upon cooling towards the NMR spin frozen state. μSR relaxation rate increases slightly below ∝ 3 K, and remains not only constant down to 20 mK, but also stands independent in longitudinal magnetic field upto 4000 G implying that the spin fluctuations are dynamic. These observations suggest the coexistence of partial spin frozen state and persistent spin dynamics in NaSrCo{sub 2}F{sub 7}.

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

Energy Technology Data Exchange (ETDEWEB)

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

1999-07-01

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

Observation of Spin Flips with a Single Trapped Proton

CERN Document Server

Ulmer, S.; Blaum, K.; Kracke, H.; Mooser, A.; Quint, W.; Walz, J.

2011-01-01

Spin transitions of an isolated trapped proton are observed for the first time. The spin quantum jumps are detected via the continuous Stern-Gerlach effect which is used in an experiment with a single proton stored in a cryogenic Penning trap. This opens the way for a direct high-precision measurement of the magnetic moment of the proton and a new test of the matter-antimatter symmetry in the baryon sector. This method can also be applied to other light atomic nuclei.

53Cr NMR study of CuCrO2 multiferroic

Science.gov (United States)

Smol'nikov, A. G.; Ogloblichev, V. V.; Verkhovskii, S. V.; Mikhalev, K. N.; Yakubovskii, A. Yu.; Kumagai, K.; Furukawa, Y.; Sadykov, A. F.; Piskunov, Yu. V.; Gerashchenko, A. P.; Barilo, S. N.; Shiryaev, S. V.

2015-11-01

The magnetically ordered phase of the CuCrO2 single crystal has been studied by the nuclear magnetic resonance (NMR) method on 53Cr nuclei in the absence of an external magnetic field. The 53Cr NMR spectrum is observed in the frequency range νres = 61-66 MHz. The shape of the spectrum depends on the delay tdel between pulses in the pulse sequence τπ/2- t del-τπ- t del-echo. The spin-spin and spin-lattice relaxation times have been measured. Components of the electric field gradient, hyperfine fields, and the magnetic moment on chromium atoms have been estimated.

NMR study of LaPb2

International Nuclear Information System (INIS)

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

1995-01-01

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

Single spin asymmetries and the spin of the proton

International Nuclear Information System (INIS)

Dominguez Z, G.; Herrera C, G.

2000-01-01

We study the spin asymmetries of inclusive π + , π 0 , π - , η and γ production in the interaction of a polarized with a non polarized proton, in the frame of a two component model. Particle production in the model is assumed to consist of a conventional QCD fragmentation process plus a recombination mechanism. The presence of Thomas precession in the recombination process seems to be responsible for the production spin asymmetry. (Author) 12 refs., 8 figs

Spin coherence transfer in chemical transformations monitoredNMR

Energy Technology Data Exchange (ETDEWEB)

Anwar, Sabieh M.; Hilty, Christian; Chu, Chester; Bouchard,Louis-S.; Pierce, Kimberly L.; Pines, Alexander

2006-07-31

We demonstrate the use of micro-scale nuclear magneticresonance (NMR) for studying the transfer of spin coherence innon-equilibrium chemical processes, using spatially separated NMRencoding and detection coils. As an example, we provide the map ofchemical shift correlations for the amino acid alanine as it transitionsfrom the zwitterionic to the anionic form. Our method is unique in thesense that it allows us to track the chemical migration of encodednuclear spins during the course of chemical transformations.

Anisotropy of the proton spin--lattice relaxation time in the superconducting intercalation complex TaS2(NH3): Structural and bonding implications

International Nuclear Information System (INIS)

Gamble, F.R.; Silbernagel, B.G.

1975-01-01

The nature of the interaction responsible for the formation of molecular intercalation complexes between Lewis bases and layered transition metal dichalcogenides is not well understood. To some extent this is due to a lack of structural information. A prototype of these complexes is TaS 2 (NH 3 ), in which monolayers of ammonia are inserted between the metallic, superconducting layers of TaS 2 . The compound is crystalline and stoichiometric. Measurement of the anisotropy of the proton spin--lattice relaxation time at 300 degreeK indicates that the molecular threefold symmetry axis is not perpendicular to the disulfide layers as suggested by other workers, but is parallel to the layers. This orientation precludes direct interaction between the molecular lone pair orbital and the transition metal atoms. The interactions governing the structure of this complex may be similar to those obtaining in the intercalation complexes between TaS 2 and a number of substituted pyridines, in which complexes the axis of the lone pair orbital is also parallel to the layers

Parallel computer calculation of quantum spin lattices; Calcul de chaines de spins quantiques sur ordinateur parallele

Energy Technology Data Exchange (ETDEWEB)

Lamarcq, J. [Service de Physique Theorique, CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France)

1998-07-10

Numerical simulation allows the theorists to convince themselves about the validity of the models they use. Particularly by simulating the spin lattices one can judge about the validity of a conjecture. Simulating a system defined by a large number of degrees of freedom requires highly sophisticated machines. This study deals with modelling the magnetic interactions between the ions of a crystal. Many exact results have been found for spin 1/2 systems but not for systems of other spins for which many simulation have been carried out. The interest for simulations has been renewed by the Haldane`s conjecture stipulating the existence of a energy gap between the ground state and the first excited states of a spin 1 lattice. The existence of this gap has been experimentally demonstrated. This report contains the following four chapters: 1. Spin systems; 2. Calculation of eigenvalues; 3. Programming; 4. Parallel calculation 14 refs., 6 figs.

Protein proton-proton dynamics from amide proton spin flip rates

International Nuclear Information System (INIS)

Weaver, Daniel S.; Zuiderweg, Erik R. P.

2009-01-01

Residue-specific amide proton spin-flip rates K were measured for peptide-free and peptide-bound calmodulin. K approximates the sum of NOE build-up rates between the amide proton and all other protons. This work outlines the theory of multi-proton relaxation, cross relaxation and cross correlation, and how to approximate it with a simple model based on a variable number of equidistant protons. This model is used to extract the sums of K-rates from the experimental data. Error in K is estimated using bootstrap methodology. We define a parameter Q as the ratio of experimental K-rates to theoretical K-rates, where the theoretical K-rates are computed from atomic coordinates. Q is 1 in the case of no local motion, but decreases to values as low as 0.5 with increasing domination of sidechain protons of the same residue to the amide proton flips. This establishes Q as a monotonous measure of local dynamics of the proton network surrounding the amide protons. The method is applied to the study of proton dynamics in Ca 2+ -saturated calmodulin, both free in solution and bound to smMLCK peptide. The mean Q is 0.81 ± 0.02 for free calmodulin and 0.88 ± 0.02 for peptide-bound calmodulin. This novel methodology thus reveals the presence of significant interproton disorder in this protein, while the increase in Q indicates rigidification of the proton network upon peptide binding, confirming the known high entropic cost of this process

Fully automated system for pulsed NMR measurements

International Nuclear Information System (INIS)

Cantor, D.M.

1977-01-01

A system is described which places many of the complex, tedious operations for pulsed NMR experiments under computer control. It automatically optimizes the experiment parameters of pulse length and phase, and precision, accuracy, and measurement speed are improved. The hardware interface between the computer and the NMR instrument is described. Design features, justification of the choices made between alternative design strategies, and details of the implementation of design goals are presented. Software features common to all the available experiments are discussed. Optimization of pulse lengths and phases is performed via a sequential search technique called Uniplex. Measurements of the spin-lattice and spin-spin relaxation times and of diffusion constants are automatic. Options for expansion of the system are explored along with some of the limitations of the system

NMR studies of proton exchange kinetics in aqueous formaldehyde solutions.

Science.gov (United States)

Rivlin, Michal; Eliav, Uzi; Navon, Gil

2014-05-01

Aqueous solutions of formaldehyde, formalin, are commonly used for tissue fixation and preservation. Treatment with formalin is known to shorten the tissue transverse relaxation time T2. Part of this shortening is due to the effect of formalin on the water T2. In the present work we show that the shortening of water T2 is a result of proton exchange between water and the major constituent of aqueous solutions of formaldehyde, methylene glycol. We report the observation of the signal of the hydroxyl protons of methylene glycol at 2ppm to high frequency of the water signal that can be seen at low temperatures and at pH range of 6.0±1.5 and, at conditions where it cannot be observed by the single pulse experiment, it can be detected indirectly through the water signal by the chemical exchange saturation transfer (CEST) experiment. The above finding made it possible to obtain the exchange rate between the hydroxyl protons of the methylene glycol and water in aqueous formaldehyde solutions, either using the dispersion of the spin-lattice relaxation rate in the rotating frame (1/T1ρ) or, at the slow exchange regime, from the line width hydroxyl protons of methylene glycol. The exchange rate was ∼10(4)s(-1) at pH 7.4 and 37°C, the activation energy, 50.2kJ/mol and its pH dependence at 1.1°C was fitted to: k (s(-1))=520+6.5×10(7)[H(+)]+3.0×10(9)[OH(-)]. Copyright © 2014. Published by Elsevier Inc.

Estimating side-chain order in methyl-protonated, perdeuterated proteins via multiple-quantum relaxation violated coherence transfer NMR spectroscopy

International Nuclear Information System (INIS)

Sun Hechao; Godoy-Ruiz, Raquel; Tugarinov, Vitali

2012-01-01

Relaxation violated coherence transfer NMR spectroscopy (Tugarinov et al. in J Am Chem Soc 129:1743–1750, 2007) is an established experimental tool for quantitative estimation of the amplitudes of side-chain motions in methyl-protonated, highly deuterated proteins. Relaxation violated coherence transfer experiments monitor the build-up of methyl proton multiple-quantum coherences that can be created in magnetically equivalent spin-systems as long as their transverse magnetization components relax with substantially different rates. The rate of this build-up is a reporter of the methyl-bearing side-chain mobility. Although the build-up of multiple-quantum 1 H coherences is monitored in these experiments, the decay of the methyl signal during relaxation delays occurs when methyl proton magnetization is in a single-quantum state. We describe a relaxation violated coherence transfer approach where the relaxation of multiple-quantum 1 H– 13 C methyl coherences during the relaxation delay period is quantified. The NMR experiment and the associated fitting procedure that models the time-dependence of the signal build-up, are applicable to the characterization of side-chain order in [ 13 CH 3 ]-methyl-labeled, highly deuterated protein systems up to ∼100 kDa in molecular weight. The feasibility of extracting reliable measures of side-chain order is experimentally verified on methyl-protonated, perdeuterated samples of an 8.5-kDa ubiquitin at 10°C and an 82-kDa Malate Synthase G at 37°C.

Lattice architecture effect on the cooperativity of spin transition coordination polymers

Energy Technology Data Exchange (ETDEWEB)

Chiruta, Daniel [Faculty of Electrical Engineering and Computer Science and Advanced Materials and Nanotechnology Laboratory (AMNOL), Ştefan cel Mare University, Suceava 720229 (Romania); GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), 78035 Versailles Cedex (France); LISV, Université de Versailles Saint-Quentin-en-Yvelines, 78140 Velizy (France); Jureschi, Catalin-Maricel; Rotaru, Aurelian, E-mail: jorge.linares@uvsq.fr, E-mail: rotaru@eed.usv.ro [Faculty of Electrical Engineering and Computer Science and Advanced Materials and Nanotechnology Laboratory (AMNOL), Ştefan cel Mare University, Suceava 720229 (Romania); Linares, Jorge, E-mail: jorge.linares@uvsq.fr, E-mail: rotaru@eed.usv.ro [GEMaC, Université de Versailles Saint-Quentin-en-Yvelines, CNRS-UVSQ (UMR 8635), 78035 Versailles Cedex (France); Garcia, Yann [Institute of Condensed Matter and Nanosciences, Molecules, Solids and Reactivity (IMCN/MOST), Université Catholique de Louvain, Place L. Pasteur, 1, 1348 Louvain-la-Neuve (Belgium)

2014-02-07

We have investigated in the framework of the Ising-like model, by means of Monte Carlo Metropolis method with open boundary condition, the architecture effect on the cooperativity of spin transition coordination polymers. We have analyzed the influence of several physical parameters (size, pressure, and edge effects) on different lattice architectures which were in good agreement with reported experimental data. We show that the cooperativity of a spin crossover system, characterized by the same number of molecules and the same short- and long-range interaction parameters, is progressively enhanced when going from a 1D chain to a 1D ladder type lattice and to a 2D square lattice.

Dynamic nuclear-polarization studies of paramagnetic species in solution

International Nuclear Information System (INIS)

Glad, W.E.

1982-07-01

Dynamic Nuclear Polarization (DNP) was used to measure the electron spin lattice relaxation times, T 1 , of transition metal ions in aqueous solution. Saturation which is induced in the electron spin system is transferred to the solvent proton spins by dipole-dipole interactions. The change in the polarization of the proton spins is much larger than it is in the electron spins. The change in proton polarization is easily measured by proton Nuclear Magnetic Resonance (NMR). In one experimental arrangement the sample solution was continuously flowed through a microwave cavity to the NMR coil. The NMR was observed with a continuous wave NMR spectrometer. In a second arrangement the whole sample tube was moved from within the microwave cavity to the NMR coil in less than 40 ms by a blast of compressed air. The NMR was then observed with a pulse-Fourier-transform spectrometer. With the second arrangement a mean-square microwave magnetic field at the sample of more than 10 G 2 is obtainable with 14 W of microwave power. Measurements of DNP at 9 GHz were made on aqueous solutions of VO 2+ , Mn 2+ , Cr(CN) 6 3- , Cu 2+ and Cu(ethylenediamine) 2 (H 2 0) 2 2+ ions from 3 to 60 0 C. It was also possible to observe DNP on resolved proton resonances from mixed water-acetonitrile solutions of VO 2+ and Cr(CN) 6 3- ions

NMR study of hyper-polarized 129Xe and applications to liquid-phase NMR experiments

International Nuclear Information System (INIS)

Marion, D.

2008-07-01

In liquid samples where both nuclear polarization and spin density are strong, the magnetization dynamics, which can be analysed by NMR (nuclear magnetic resonance) methods, is deeply influenced by the internal couplings induced by local dipolar fields. The present thesis describes some of the many consequences associated to the presence in the sample of concentrated xenon hyper-polarized by an optical pumping process. First, we deal with the induced modifications in frequency and line width of the proton and xenon spectra, then we present the results of SPIDER, a coherent polarization transfer experiment designed to enhance the polarization of protons, in order to increase their NMR signal level. A third part is dedicated to the description of the apparition of repeated chaotic maser emissions by un unstable xenon magnetization coupled to the detection coil tuned at the xenon Larmor frequency (here 138 MHz). In the last part, we present a new method allowing a better tuning of any NMR detection probe and resulting in sensible gains in terms of sensitivity and signal shaping. Finally, we conclude with a partial questioning of the classical relaxation theory in the specific field of highly polarized and concentrated spin systems in a liquid phase. (author)

NMR of dielectrically oriented molecules

International Nuclear Information System (INIS)

Ruessink, B.H.

1986-01-01

General information on experimental aspects of EFNMR is given. It is shown that the complete 14 N quadrupole tensor (qct) of pyridine and pyrimidine in the liquid state is accessible to EFNMR. Information obtained about 17 O qct in liquid nitromethane, is compared with results from other techniques. The 33 S qct in liquid sulfolane is investigated. The EFNMR results, combined with those from spin-lattice relaxation time measurements and from Hartree-Fock-Slater MO calculations, allowed the complete assignment of the 33 S qct. The quadrupole coupling of both 10 B and 11 B in a carborane compound is investigated and, together with the results of spin-lattice relaxation time measurements, detailed information about the assignment of the boron qct's could be derived. EFNMR studies of apolar molecules are described. A limitation in EFNMR is the inhomogeneity (delta B) of the magnetic field, which is introduced by the use of non-spinning sample cells. A way out is the detection of zero quantum transitions, their widths being independent of delta B. The results and prospectives of this approach are shown for the simple three spin 1/2 system of acrylonitrile in which the small dipolar proton-proton couplings could be revealed via zero quantum transitions. (Auth.)

Spin helical states and spin transport of the line defect in silicene lattice

Energy Technology Data Exchange (ETDEWEB)

Yang, Mou; Chen, Dong-Hai; Wang, Rui-Qiang [Laboratory of Quantum Engineering and Quantum Materials, School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Bai, Yan-Kui, E-mail: ykbai@semi.ac.cn [College of Physical Science and Information Engineering and Hebei Advance Thin Films Laboratory, Hebei Normal University, Shijiazhuang, Hebei 050024 (China)

2015-02-06

We investigated the electronic structure of a silicene-like lattice with a line defect under the consideration of spin–orbit coupling. In the bulk energy gap, there are defect related bands corresponding to spin helical states localized beside the defect line: spin-up electrons flow forward on one side near the line defect and move backward on the other side, and vice versa for spin-down electrons. When the system is subjected to random distribution of spin-flipping scatterers, electrons suffer much less spin-flipped scattering when they transport along the line defect than in the bulk. An electric gate above the line defect can tune the spin-flipped transmission, which makes the line defect as a spin-controllable waveguide. - Highlights: • Band structure of silicene with a line defect. • Spin helical states around the line defect and their probability distribution features. • Spin transport along the line defect and that in the bulk silicene.

A cluster-bethe-lattice approach to spin-waves in dilute ferromagnets

International Nuclear Information System (INIS)

Salzberg, J.B.; Silva, C.E.T.G. da; Falicov, L.M.

1975-01-01

The spin-wave spectra of a dilute ferromagnet within the cluster-bethe-lattice approximation is studied. Short range order effects for the alloy are included. A study of finite size clusters connected at their edges to Bethe lattices of the same coordination number allows one to determine:(i) the stability condition for the magnetic system; (ii) the continuum spin-wave local density of states and (iii) the existence of localized states below and above the continuum states

NMR evidence for spin fluctuations in underdoped LaO{sub 1-x}F{sub x}FeAs

Energy Technology Data Exchange (ETDEWEB)

Hammerath, Franziska; Grafe, Hans-Joachim; Lang, Guillaume; Behr, Guenter; Werner, Jochen; Buechner, Bernd [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung, Dresden (Germany); Paar, Dalibor [Department of Physics, Faculty of Science, University of Zagreb (Croatia)

2012-07-01

We present {sup 75}As Nuclear Magnetic Resonance (NMR) measurements on the iron-based superconductor LaO{sub 1-x}F{sub x}FeAs with 0 {<=} x {<=} 0.1, covering a broad range of the phase diagram from magnetically-ordered to optimally-doped superconducting samples. For underdoped samples (x=0.05,x=0.075) the {sup 75}As NMR spin-lattice relaxation rate (T{sub 1}T){sup -1} shows a Curie-Weiss-like increase at intermediate temperatures, indicating the slowing down of spin fluctuations. However, a simple Curie-Weiss fit fails to describe (T{sub 1}T){sup -1}(T) above 250 K and the occurrence of a peak in (T{sub 1}T){sup -1} slightly above T{sub c}. Instead, the data can be well described by considering a BPP-model for fluctuating magnetic fields in combination with a doping-independent linear temperature dependence at high temperature. At optimal doping (x=0.1) spin fluctuations are suppressed and only the linear contribution to (T{sub 1}T){sup -1} is left. This stands in contrast to other pnictides, such as Ba(Fe{sub 1-x}Co{sub x}As){sub 2} and Ba(FeAs{sub 1-x}P{sub x}){sub 2}. Our analysis is consistent with charge carrier localization in underdoped LaO{sub 1-x}F{sub x}FeAs as seen by means of resistivity measurements.

The proton spin structure; La structure en spin du proton

Energy Technology Data Exchange (ETDEWEB)

Breton, V.

1996-05-13

The author presents first the theoretical frame of the nucleon spin structure study carried out through the deep inelastic scattering of polarised leptons on a polarised target. The interest of the lepton scattering reaction to study the hadronic structure is discussed and the formalism of the inclusive inelastic scattering presented. If the target and the beam are both polarised, the formalism enables to connect the experimentally measured asymmetries to the contribution of quarks to the spin of nucleon. The recent knowledge about the nucleon spin structure is also presented. The Bjorken sum rule is then discussed: it correlates the difference of spin structure between proton and neutron to the neutron lifetime. Then, the author mentions the experimental results of SMC (CERN) and E142, E143 (SLAC). The transition from rough asymmetry to the g sub 1 structure function integral is discussed as well as the main causes of uncertainty. Compared to theoretical data, the measurements confirm the reliability of the Bjorken sum rule. They also confirm the deficit of the quark contribution with respect to the naive unpolarized strange sea model. The possible origins of this discrepancy and the contributions of the current and planned experiments are also discussed. Finally, the author brings up the next major step for nucleon spin studies: the estimation of the gluon contribution. He discusses the experimental knowledge about the polarised gluon distribution function with regard to the multiple existing parameter set. Concerning the experimental determination of this distribution function, outlooks are proposed with respect to feasibility on current experimental facilities. (N.T.). 134 refs.

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

Science.gov (United States)

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. PMID:21036557

All optical detection of picosecond spin-wave dynamics in 2D annular antidot lattice

Science.gov (United States)

Porwal, Nikita; Mondal, Sucheta; Choudhury, Samiran; De, Anulekha; Sinha, Jaivardhan; Barman, Anjan; Datta, Prasanta Kumar

2018-02-01

Novel magnetic structures with precisely controlled dimensions and shapes at the nanoscale have potential applications in spin logic, spintronics and other spin-based communication devices. We report the fabrication of 2D bi-structure magnonic crystal in the form of embedded nanodots in a periodic Ni80Fe20 antidot lattice structure (annular antidot) by focused ion-beam lithography. The spin-wave spectra of the annular antidot sample, studied for the first time by a time-resolved magneto-optic Kerr effect microscopy show a remarkable variation with bias field, which is important for the above device applications. The optically induced spin-wave spectra show multiple modes in the frequency range 14.7 GHz-3.5 GHz due to collective interactions between the dots and antidots as well as the annular elements within the whole array. Numerical simulations qualitatively reproduce the experimental results, and simulated mode profiles reveal the spatial distribution of the spin-wave modes and internal magnetic fields responsible for these observations. It is observed that the internal field strength increases by about 200 Oe inside each dot embedded within the hole of annular antidot lattice as compared to pure antidot lattice and pure dot lattice. The stray field for the annular antidot lattice is found to be significant (0.8 kOe) as opposed to the negligible values of the same for the pure dot lattice and pure antidot lattice. Our findings open up new possibilities for development of novel artificial crystals.

Proton NMR for Measuring Quantum Level Crossing in the Magnetic Molecular Ring Fe10

International Nuclear Information System (INIS)

Julien, M.; Jang, Z.H.; Borsa, F.; Julien, M.; Lascialfari, A.; Borsa, F.; Horvatic, M.; Caneschi, A.; Gatteschi, D.

1999-01-01

The proton nuclear spin-lattice relaxation rate 1/T 1 has been measured as a function of temperature and magnetic field (up to 15thinspthinspT) in the molecular magnetic ring Fe 10 ( OCH 3 ) 20 (O 2 CCH 2 Cl) 10 (Fe10). Striking enhancement of 1/T 1 is observed around magnetic field values corresponding to a crossing between the ground state and the excited states of the molecule. We propose that this is due to a cross-relaxation effect between the nuclear Zeeman reservoir and the reservoir of the Zeeman levels of the molecule. This effect provides a powerful tool to investigate quantum dynamical phenomena at level crossing. copyright 1999 The American Physical Society

Techniques and approaches to proton NMR imaging of the head

International Nuclear Information System (INIS)

Pykett, I.L.; Buonanno, F.S.; Brady, T.J.; Kistler, J.P.

1983-01-01

The next few years will undoubtedly see a refinement of proton imaging technology and a broader data base will indicate to what extent proton relaxation parameters are able to detect and characterize disease. In addition, it is likely that imaging of other nuclei (e.g. 31 P, 23 Na, 19 F) will become a reality, although it must be stated that due to their inherently lower sensitivity to NMR detection and/or lower physiological concentration, clinical images of nuclei other than 1 H will undoubtedly have a low spatial resolution and may require relatively long imaging times. Nonetheless, herein lies the exciting possibility of non-invasive metabolic or functional imaging. The realm of NMR contrast agents is just beginning to be explored, and developments in high-speed imaging indicate useful applications in cardiology. So whilst improvements in image quality can be expected, as was the case with X-ray CT, the application of NMR in medicine will diversify to yield information of a more specifically functional nature. This, together with the very low attendant biological risk, heralds a bright future for NMR in clinical diagnosis

NMR studies of selective population inversion and spin clustering

International Nuclear Information System (INIS)

Baum, J.S.

1986-02-01

This work describes the development and application of selective excitation techniques in Nuclear Magnetic Resonance. Composite pulses and multiple-quantum methods are used to accomplish various goals, such as broadband and narrowband excitation in liquids, and collective excitation of groups of spins in solids. These methods are applied to a variety of problems, including non-invasive spatial localization, spin cluster size characterization in disordered solids and solid state NMR imaging

NMRbot: Python scripts enable high-throughput data collection on current Bruker BioSpin NMR spectrometers.

Science.gov (United States)

Clos, Lawrence J; Jofre, M Fransisca; Ellinger, James J; Westler, William M; Markley, John L

2013-06-01

To facilitate the high-throughput acquisition of nuclear magnetic resonance (NMR) experimental data on large sets of samples, we have developed a simple and straightforward automated methodology that capitalizes on recent advances in Bruker BioSpin NMR spectrometer hardware and software. Given the daunting challenge for non-NMR experts to collect quality spectra, our goal was to increase user accessibility, provide customized functionality, and improve the consistency and reliability of resultant data. This methodology, NMRbot, is encoded in a set of scripts written in the Python programming language accessible within the Bruker BioSpin TopSpin ™ software. NMRbot improves automated data acquisition and offers novel tools for use in optimizing experimental parameters on the fly. This automated procedure has been successfully implemented for investigations in metabolomics, small-molecule library profiling, and protein-ligand titrations on four Bruker BioSpin NMR spectrometers at the National Magnetic Resonance Facility at Madison. The investigators reported benefits from ease of setup, improved spectral quality, convenient customizations, and overall time savings.

Coherent evolution of parahydrogen induced polarisation using laser pump, NMR probe spectroscopy: Theoretical framework and experimental observation.

Science.gov (United States)

Halse, Meghan E; Procacci, Barbara; Henshaw, Sarah-Louise; Perutz, Robin N; Duckett, Simon B

2017-05-01

We recently reported a pump-probe method that uses a single laser pulse to introduce parahydrogen (p-H 2 ) into a metal dihydride complex and then follows the time-evolution of the p-H 2 -derived nuclear spin states by NMR. We present here a theoretical framework to describe the oscillatory behaviour of the resultant hyperpolarised NMR signals using a product operator formalism. We consider the cases where the p-H 2 -derived protons form part of an AX, AXY, AXYZ or AA'XX' spin system in the product molecule. We use this framework to predict the patterns for 2D pump-probe NMR spectra, where the indirect dimension represents the evolution during the pump-probe delay and the positions of the cross-peaks depend on the difference in chemical shift of the p-H 2 -derived protons and the difference in their couplings to other nuclei. The evolution of the NMR signals of the p-H 2 -derived protons, as well as the transfer of hyperpolarisation to other NMR-active nuclei in the product, is described. The theoretical framework is tested experimentally for a set of ruthenium dihydride complexes representing the different spin systems. Theoretical predictions and experimental results agree to within experimental error for all features of the hyperpolarised 1 H and 31 P pump-probe NMR spectra. Thus we establish the laser pump, NMR probe approach as a robust way to directly observe and quantitatively analyse the coherent evolution of p-H 2 -derived spin order over micro-to-millisecond timescales. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Morphological study of chitin from Xiphopenaeus kroyeri exoskeletons by using atomic force microscopy (AFM) and CPMAS 13 C NMR

International Nuclear Information System (INIS)

Silva, K.M.; Tavares, M.I.; Andrade, C.T.; Simao, R.A.

1999-01-01

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

Spin-1 and -2 bilayer Bethe lattice: A Monte Carlo study

International Nuclear Information System (INIS)

Masrour, R.; Jabar, A.; Benyoussef, A.; Hamedoun, M.

2016-01-01

The magnetic behaviors of bilayer with spin-1 and 2 Ising model on the Bethe lattice are investigated using the Monte Carlo simulations. The thermal magnetizations, the magnetic susceptibilities and the transition temperature of the bilayer spin-1 and 2 on the Bethe lattice are studied for different values of crystal field and intralayer coupling constants of the two layers and interlayer coupling constant between the layers. The thermal and magnetic hysteresis cycles are given for different values of the crystal field, for different temperatures and for different exchange interactions. - Highlights: • The magnetic properties of bilayer on the Bethe lattice have been investigated. • The transition temperature has been deduced. • The magnetic coercive filed has been established.

Spin-1 and -2 bilayer Bethe lattice: A Monte Carlo study

Energy Technology Data Exchange (ETDEWEB)

Masrour, R., E-mail: rachidmasrour@hotmail.com [Laboratory of Materials, Processes, Environment and Quality, Cady Ayyed University, National School of Applied Sciences, 63 46000 Safi (Morocco); Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Jabar, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Benyoussef, A. [Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E.URAC 12, Université Mohammed V, Faculté des Sciences, B.P. 1014 Rabat (Morocco); Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); Hamedoun, M. [Institute of Nanomaterials and Nanotechnologies, MAScIR, Rabat (Morocco)

2016-03-01

The magnetic behaviors of bilayer with spin-1 and 2 Ising model on the Bethe lattice are investigated using the Monte Carlo simulations. The thermal magnetizations, the magnetic susceptibilities and the transition temperature of the bilayer spin-1 and 2 on the Bethe lattice are studied for different values of crystal field and intralayer coupling constants of the two layers and interlayer coupling constant between the layers. The thermal and magnetic hysteresis cycles are given for different values of the crystal field, for different temperatures and for different exchange interactions. - Highlights: • The magnetic properties of bilayer on the Bethe lattice have been investigated. • The transition temperature has been deduced. • The magnetic coercive filed has been established.

1H, 13C and 13N chemical shifts and 1H-15N and 13C-15N heteronuclear spin-spin coupling constants n the NMR spectra of 5-substituted furfural oximes

International Nuclear Information System (INIS)

Popelis, Yu.Yu.; Liepin'sh, E.E.; Lukevits, E.Ya.

1986-01-01

The 1 H, 13 C, and 15 N NMR spectra of 15 N-enriched 5-substituted furfural oximes were investigated. It was shown that the chemical shifts of the ring atoms and the oxime group correlate satisfactorily with the F and R substituent constants, whereas their sensitivity to the effect of the substituents is lower than in monosubstituted furan derivatives. The constants of spin-spin coupling between the ring protons and the oxime group were determined. An analysis of the 1 H- 1 H spin-spin coupling constants (SSCC) on the basis of their stereospecificity indicates that the E isomers have primarily an s-trans conformation in polar dimethyl sulfoxide, whereas the Z isomers, on the other hand, have an s-cis conformation. The signs of the direct and geminal 13 C- 15 N SSCC were determined for 5-trimethylsilylfurfural oxime

Proton NMR studies of functionalized nanoparticles in aqueous environments

Science.gov (United States)

Tataurova, Yulia Nikolaevna

in high-resolution NMR spectra. This technique is selective for protons on the surface organic functional groups due to their motional averaging in solution. In this study, 1H solution NMR spectroscopy was used to investigate the interface of the organic functional groups in D2O. The pKa for these functional groups covalently bound to the surface of nanoparticles was determined using an NMR-pH titration method based on the variation in the proton chemical shift for the alkyl group protons closest to the amine group with pH. The adsorption of toxic contaminants (chromate and arsenate anions) on the surface of functionalized silicalite-1 and mesoporous silica nanoparticles has been studied by 1H solution NMR spectroscopy. With this method, the surface bound contaminants are detected. The analysis of the intensity and position of these peaks allows quantitative assessment of the relative amounts of functional groups with adsorbed metal ions. These results demonstrate the sensitivity of solution NMR spectroscopy to the electronic environment and structure of the surface functional groups on porous nanomaterials.

Tunable spin-orbit coupling for ultracold atoms in two-dimensional optical lattices

Science.gov (United States)

Grusdt, Fabian; Li, Tracy; Bloch, Immanuel; Demler, Eugene

2017-06-01

Spin-orbit coupling (SOC) is at the heart of many exotic band structures and can give rise to many-body states with topological order. Here we present a general scheme based on a combination of microwave driving and lattice shaking for the realization of two-dimensional SOC with ultracold atoms in systems with inversion symmetry. We show that the strengths of Rashba and Dresselhaus SOC can be independently tuned in a spin-dependent square lattice. More generally, our method can be used to open gaps between different spin states without breaking time-reversal symmetry. We demonstrate that this allows for the realization of topological insulators with nontrivial spin textures closely related to the Kane-Mele model.

Ion conduction mechanisms and thermal properties of hydrated and anhydrous phosphoric acids studied with 1H, 2H, and 31P NMR.

Science.gov (United States)

Aihara, Yuichi; Sonai, Atsuo; Hattori, Mineyuki; Hayamizu, Kikuko

2006-12-14

To understand the behaviors of phosphoric acids in fuel cells, the ion conduction mechanisms of phosphoric acids in condensed states without free water and in a monomer state with water were studied by measuring the ionic conductivity (sigma) using AC impedance, thermal properties, and self-diffusion coefficients (D) and spin-lattice relaxation times (T1) with multinuclear NMR. The self-diffusion coefficient of the protons (H+ or H3O+), H2O, and H located around the phosphate were always larger than the diffusion coefficients of the phosphates and the disparity increased with increasing phosphate concentration. The diffusion coefficients of the samples containing D2O paralleled those in the protonated samples. Since the 1H NMR T1 values exhibited a minimum with temperature, it was possible to determine the correlation times and they were found to be of nanosecond order for a distance of nanometer order for a flip. The agreement of the ionic conductivities measured directly and those calculated from the diffusion coefficients indicates that the ion conduction obeys the Nernst-Einstein equation in the condensed phosphoric acids. The proton diffusion plays a dominant role in the ion conduction, especially in the condensed phosphoric acids.

Non-destructive ripeness sensing by using proton NMR [Nuclear Magnetic Resonance

International Nuclear Information System (INIS)

Cho, Seong In; Krutz, G.W.; Stroshine, R.L.

1990-01-01

More than 80 kinds of fruits and vegetables are available in the United States. But only about 6 of them have their quality standards (Dull, 1986). In the 1990 Fresh Trends survey (Zind, 1990), consumers were asked to rate 16 characteristics important to their decision to purchase fresh produce. The four top ranking factors were ripeness/freshness, taste/flavor, appearance/condition and nutritional value. Of these surveyed, 96% rated ripeness/freshness as extremely important or very important. Therefore, the development of reliable grading or sorting techniques for fresh commodities is essential. Determination of fruit quality often involves cutting and tasting. Non-destructive quality control in fruit and vegetables is a goal of growers and distributors, as well as the food processing industry. Many nondestructive techniques have been evaluated including soft x-ray, optical transmission, near infrared radiation, and machine vision. However, there are few reports of successful non-destructive measurement of sugar content directly in fruit. Higher quality fruit could be harvested and available to consumers if a nondestructive sensor that detects ripeness level directly by measuring sugar content were available. Using proton Nuclear Magnetic Resonance (NMR) principle is the possibility. A nondestructive ripeness (or sweetness) sensor for fruit quality control can be developed with the proton NMR principle (Cho, 1989). Several feasibility studies were necessary for the ripeness sensor development. Main objectives in this paper was to investigate the feasibilities (1) to detect ripeness (or sweetness level) of raw fruit tissue with an high resolution proton NMR spectroscopy (200 MHz) and (2) to measure sugar content of intact fruit with a low resolution proton NMR spectroscopy (10 MHz). 7 refs., 4 figs

Non-destructive Ripeness Sensing by Using Proton NMR [Nuclear Magnetic Resonance

Science.gov (United States)

Cho, Seong In; Krutz, G. W.; Stroshine, R. L.; Bellon, V.

1990-01-01

More than 80 kinds of fruits and vegetables are available in the United States. But only about 6 of them have their quality standards (Dull, 1986). In the 1990 Fresh Trends survey (Zind, 1990), consumers were asked to rate 16 characteristics important to their decision to purchase fresh produce. The four top ranking factors were ripeness/freshness, taste/flavor, appearance/condition and nutritional value. Of these surveyed, 96% rated ripeness/freshness as extremely important or very important. Therefore, the development of reliable grading or sorting techniques for fresh commodities is essential. Determination of fruit quality often involves cutting and tasting. Non-destructive quality control in fruit and vegetables is a goal of growers and distributors, as well as the food processing industry. Many nondestructive techniques have been evaluated including soft x-ray, optical transmission, near infrared radiation, and machine vision. However, there are few reports of successful non-destructive measurement of sugar content directly in fruit. Higher quality fruit could be harvested and available to consumers if a nondestructive sensor that detects ripeness level directly by measuring sugar content were available. Using proton Nuclear Magnetic Resonance (NMR) principle is the possibility. A nondestructive ripeness (or sweetness) sensor for fruit quality control can be developed with the proton NMR principle (Cho, 1989). Several feasibility studies were necessary for the ripeness sensor development. Main objectives in this paper was to investigate the feasibilities (1) to detect ripeness (or sweetness level) of raw fruit tissue with an high resolution proton NMR spectroscopy (200 MHz) and (2) to measure sugar content of intact fruit with a low resolution proton NMR spectroscopy (10 MHz).

Study of paramagnetic contrast agents for NMR imaging: theoretical and experimental aspects (the case of Mn2+ ion)

International Nuclear Information System (INIS)

Chavoix, M.E.

1984-06-01

The use of contrast enhancing agents and the evaluation of magnetic properties of tissues, extend the diagnostic usefulness of Nuclear Magnetic Resonance (NMR) imaging. From this point of view, proton T 1 (spin-lattice) relaxation times of rat tissue, following parenteral administration of Mn(II) to increase the relaxation rate (R 1 =1/T 1 ), have been studied at 20 MHz. Differenciation of free (MF) and bound (Mb) manganese in these tissues was thus determined by measuring, total exogenous Mn ++ ions by Atomic Absorption spectrometry and free (non protein complexed) ions by Electron Spin Resonance Analysis. From these results, the diffusion of Mn ++ into various organs, was evaluated 15 min. after injection. A significant difference in the fixation of manganese occured between the liver and the pancreas with uptakes of 50% and 1% of the administration dose respectively [fr

Free-energy analysis of spin models on hyperbolic lattice geometries.

Science.gov (United States)

Serina, Marcel; Genzor, Jozef; Lee, Yoju; Gendiar, Andrej

2016-04-01

We investigate relations between spatial properties of the free energy and the radius of Gaussian curvature of the underlying curved lattice geometries. For this purpose we derive recurrence relations for the analysis of the free energy normalized per lattice site of various multistate spin models in the thermal equilibrium on distinct non-Euclidean surface lattices of the infinite sizes. Whereas the free energy is calculated numerically by means of the corner transfer matrix renormalization group algorithm, the radius of curvature has an analytic expression. Two tasks are considered in this work. First, we search for such a lattice geometry, which minimizes the free energy per site. We conjecture that the only Euclidean flat geometry results in the minimal free energy per site regardless of the spin model. Second, the relations among the free energy, the radius of curvature, and the phase transition temperatures are analyzed. We found out that both the free energy and the phase transition temperature inherit the structure of the lattice geometry and asymptotically approach the profile of the Gaussian radius of curvature. This achievement opens new perspectives in the AdS-CFT correspondence theories.

Electron spin-lattice relaxation mechanisms of radiation produced trapped electrons and hydrogen atoms in aqueous and organic glassy matrices. Modulation of electron nuclear dipolar interaction by tunnelling modes in a glassy matrix. [. gamma. rays

Energy Technology Data Exchange (ETDEWEB)

Bowman, M K; Kevan, L [Wayne State Univ., Detroit, Mich. (USA). Dept. of Chemistry

1977-01-01

The spin lattice relaxation of trapped electrons in aqueous and organic glasses and trapped hydrogen atoms in phosphoric acid glass has been directly studied as a function of temperature by the saturation recovery method. Below 50 to 100 K, the major spin lattice relaxation mechanism involves modulation of the electron nuclear dipolar (END) interaction with nuclei in the radical's environment by tunnelling of those nuclei between two or more positions. This relaxation mechanism occurs with high efficiency and has a characteristic linear temperature dependence. The tunnelling nuclei around trapped electrons do not seem to involve the nearest neighbor nuclei which are oriented by the electron in the process of solvation. Instead the tunnelling nuclei typically appear to be next nearest neighbors to the trapped electron. The identities of the tunnelling nuclei have been deduced by isotopic substitution and are attributed to: Na in 10 mol dm/sup -3/ NaOH aqueous glass, ethyl protons in ethanol glass, methyl protons in methanol glass and methyl protons in MTHF glass. For trapped hydrogen atoms in phosphoric acid, the phosphorus nuclei appear to be the effective tunnelling nuclei. Below approximately 10 K the spin lattice relaxation is dominated by a temperature independent cross relaxation term for H atoms in phosphoric acid glass and for electrons in 10 mol dm/sup -3/ NaOH aqueous glass, but not for electrons in organic glasses. This is compared with recent electron-electron double resonance studies of cross relaxation in these glasses. The spin lattice relaxation of O/sup -/ formed in 10 mol dm/sup -3/ NaOH aqueous glass was also studied and found to be mainly dominated by a Raman process with an effective Debye temperature of about 100 K.

Leading Twist GPDs and Transverse Spin Densities in a Proton

Science.gov (United States)

Mondal, Chandan; Maji, Tanmay; Chakrabarti, Dipankar; Zhao, Xingbo

2018-05-01

We present a study of both chirally even and odd generalized parton distributions in the leading twist for the quarks in a proton using the light-front wavefunctions of a quark-diquark model predicted by the holographic QCD. For transversely polarized proton, both chiral even and chiral odd GPDs contribute to the spin densities which are related to the GPDs in transverse impact parameter space. Here, we also present a study of the spin densities for transversely polarized quark and proton.

Introduction to the conformational investigation of peptides and proteins by using two-dimensional proton NMR experiments

International Nuclear Information System (INIS)

Neumann, J.M.; Macquaire, F.

1991-01-01

This report presents the elementary bases for an initiation to the conformational study of peptides and proteins by using two-dimensional proton NMR experiments. First, some general features of protein structures are summarized. A second chapter is devoted to the basic NMR experiments and to the spectral parameters which provide a structural information. This description is illustrated by NMR spectra of peptides. The third chapter concerns the most standard two-dimensional proton NMR experiments and their use for a conformational study of peptides and proteins. Lastly, an example of NMR structural investigation of a peptide is reported [fr

Measurement of the spin dependent structure functions of proton and neutron

International Nuclear Information System (INIS)

Rith, K.

1989-01-01

Recent results from the EMC experiment on the spin dependent structure function g 1 p (x) of the proton are discussed. They suggest that the nucleon spin does not originate from quark spins but rather from angular orbital momentum and gluon contributions. A proposed experiment at HERA is presented which will allow a very accurate measurement of the spin dependent structure functions and their integrals of both proton and neutron and a precise test of the Bjorken sum rule. (orig.)

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

Energy Technology Data Exchange (ETDEWEB)

Millar, J.M.

1986-02-01

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

Continuous monitoring of the zinc-phosphate acid-base cement setting reaction by proton nuclear magnetic relaxation

International Nuclear Information System (INIS)

Apih, T.; Lebar, A.; Pawlig, O.; Trettin, R.

2001-01-01

Proton nuclear magnetic relaxation is a well-established technique for continuous and non destructive monitoring of hydration of conventional Portland building cements. Here, we demonstrate the feasibility of nuclear magnetic resonance (NMR) monitoring of the setting reaction of zinc-phosphate acid-base dental cements, which harden in minutes as compared to days, as in the case of Portland cements. We compare the setting of cement powder (mainly, zinc oxide) prepared with clinically used aluminum-modified orthophosphoric acid solution with the setting of a model system where cement powder is mixed with pure orthophosphoric acid solution. In contrast to previously published NMR studies of setting Portland cements, where a decrease of spin-lattice relaxation time is attributed to enhanced relaxation at the growing internal surface, spin-lattice relaxation time T 1 increases during the set of clinically used zinc-phosphate cement. Comparison of these results with a detailed study of diffusion, viscosity, and magnetic-field dispersion of T 1 in pure and aluminum-modified orthophosphoric acid demonstrates that the increase of T 1 in the setting cement is connected with the increase of molecular mobility in the residual phosphoric acid solution. Although not taken into account so far, such effects may also significantly influence the relaxation times in setting Portland cements, particularly when admixtures with an effect on water viscosity are used. [copyright] 2001 American Institute of Physics

Spin Chern number and topological phase transition on the Lieb lattice with spin–orbit coupling

International Nuclear Information System (INIS)

Chen, Rui; Zhou, Bin

2017-01-01

We propose that quantum anomalous Hall effect may occur in the Lieb lattice, when Rashba spin–orbit coupling, spin-independent and spin-dependent staggered potentials are introduced into the lattice. It is found that spin Chern numbers of two degenerate flat bands change from 0 to ±2 due to Rashba spin–orbit coupling effect. The inclusion of Rashba spin–orbit coupling and two kinds of staggered potentials opens a gap between the two flat bands. The topological property of the gap is determined by the amplitudes of Rashba spin–orbit coupling and staggered potentials, and thus the topological phase transition from quantum anomalous Hall effect to normal insulator can occur. Finally, the topological phase transition from quantum spin Hall state to normal insulator is discussed when Rashba spin–orbit coupling and intrinsic spin–orbit coupling coexist in the Lieb lattice. - Highlights: • Spin Chern numbers of the bulk states on the Lieb lattice are calculated. • RSOC plays an important role on the topological phase transition on the Lieb lattice. • Quantum anomalous Hall effect can occur due to RSOC and staggered potentials. • Topological phase transition can occur when ISOC and RSOC coexist.

Polarized proton target with horizontal spin orientation

International Nuclear Information System (INIS)

Bunyatova, Eh.I.; Kiselev, Yu.F.; Kozlenko, N.G.

1988-01-01

Proton target, the polarization vector of which may be arbitrary oriented in horizontal plane relatively to the beam, is developed and tested. 70% value of polarization is obtained. 0.6 K temperature is acquired through 3 He pumping out continuous cycle. 1.2-propylene glycol - Cr(V) was used as working medium. Magnetic system is made in the form of Helmholtz sperconducting coils with working curren close to critical one. Target polarization is measured by NMR technique using original system of proton signal processing

Spin Solid versus Magnetic Charge Ordered State in Artificial Honeycomb Lattice of Connected Elements

Science.gov (United States)

Glavic, Artur; Summers, Brock; Dahal, Ashutosh; Kline, Joseph; Van Herck, Walter; Sukhov, Alexander; Ernst, Arthur

2018-01-01

Abstract The nature of magnetic correlation at low temperature in two‐dimensional artificial magnetic honeycomb lattice is a strongly debated issue. While theoretical researches suggest that the system will develop a novel zero entropy spin solid state as T → 0 K, a confirmation to this effect in artificial honeycomb lattice of connected elements is lacking. This study reports on the investigation of magnetic correlation in newly designed artificial permalloy honeycomb lattice of ultrasmall elements, with a typical length of ≈12 nm, using neutron scattering measurements and temperature‐dependent micromagnetic simulations. Numerical modeling of the polarized neutron reflectometry data elucidates the temperature‐dependent evolution of spin correlation in this system. As temperature reduces to ≈7 K, the system tends to develop novel spin solid state, manifested by the alternating distribution of magnetic vortex loops of opposite chiralities. Experimental results are complemented by temperature‐dependent micromagnetic simulations that confirm the dominance of spin solid state over local magnetic charge ordered state in the artificial honeycomb lattice with connected elements. These results enable a direct investigation of novel spin solid correlation in the connected honeycomb geometry of 2D artificial structure. PMID:29721429

Effective field renormalization group approach for Ising lattice spin systems

Science.gov (United States)

Fittipaldi, Ivon P.

1994-03-01

A new applicable real-space renormalization group framework (EFRG) for computing the critical properties of Ising lattice spin systems is presented. The method, which follows up the same strategy of the mean-field renormalization group scheme (MFRG), is based on rigorous Ising spin identities and utilizes a convenient differential operator expansion technique. Within this scheme, in contrast with the usual mean-field type of equation of state, all the relevant self-spin correlations are taken exactly into account. The results for the critical coupling and the critical exponent v, for the correlation length, are very satisfactory and it is shown that this technique leads to rather accurate results which represent a remarkable improvement on those obtained from the standard MFRG method. In particular, it is shown that the present EFRG approach correctly distinguishes the geometry of the lattice structure even when employing its simplest size-cluster version. Owing to its simplicity we also comment on the wide applicability of the present method to problems in crystalline and disordered Ising spin systems.

Theoretical investigations of quantum correlations in NMR multiple-pulse spin-locking experiments

Science.gov (United States)

Gerasev, S. A.; Fedorova, A. V.; Fel'dman, E. B.; Kuznetsova, E. I.

2018-04-01

Quantum correlations are investigated theoretically in a two-spin system with the dipole-dipole interactions in the NMR multiple-pulse spin-locking experiments. We consider two schemes of the multiple-pulse spin-locking. The first scheme consists of π /2-pulses only and the delays between the pulses can differ. The second scheme contains φ-pulses (0Quantum discord is obtained for the first scheme of the multiple-pulse spin-locking experiment at different temperatures.

Localized-magnon states in strongly frustrated quantum spin lattices

International Nuclear Information System (INIS)

Richter, J.

2005-01-01

Recent developments concerning localized-magnon eigenstates in strongly frustrated spin lattices and their effect on the low-temperature physics of these systems in high magnetic fields are reviewed. After illustrating the construction and the properties of localized-magnon states we describe the plateau and the jump in the magnetization process caused by these states. Considering appropriate lattice deformations fitting to the localized magnons we discuss a spin-Peierls instability in high magnetic fields related to these states. Last but not least we consider the degeneracy of the localized-magnon eigenstates and the related thermodynamics in high magnetic fields. In particular, we discuss the low-temperature maximum in the isothermal entropy versus field curve and the resulting enhanced magnetocaloric effect, which allows efficient magnetic cooling from quite large temperatures down to very low ones

An NMR Protonation Study of Metal Diethylenetriaminepentaacetic Acid Complexes.

Science.gov (United States)

Letkeman, Peter

1979-01-01

This experiment is suitable for an integrated laboratory course for senior chemistry majors. It introduces the student to a study of the relative basicity of different proton accepting sites. It serves as an opportunity to learn about nmr techniques and could extend to infrared, as well. (BB)

Spin-2 NΩ dibaryon from lattice QCD

International Nuclear Information System (INIS)

Etminan, Faisal; Nemura, Hidekatsu; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko; Sasaki, Kenji

2014-01-01

We investigate properties of the N(nucleon)–Ω(Omega) interaction in lattice QCD to seek for possible dibaryon states in the strangeness −3 channel. We calculate the NΩ potential through the equal-time Nambu–Bethe–Salpeter wave function in 2+1 flavor lattice QCD with the renormalization group improved Iwasaki gauge action and the nonperturbatively O(a) improved Wilson quark action at the lattice spacing a≃0.12 fm on a (1.9 fm) 3 × 3.8 fm lattice. The ud and s quark masses in our study correspond to m π =875(1) MeV and m K =916(1) MeV. At these parameter values, the central potential in the S-wave with the spin 2 shows attractions at all distances. By solving the Schrödinger equation with this potential, we find one bound state whose binding energy is 18.9(5.0)( +12.1 −1.8 ) MeV, where the first error is the statistical one, while the second represents the systematic error

Spin-2 NΩ dibaryon from lattice QCD

Energy Technology Data Exchange (ETDEWEB)

Etminan, Faisal [Center for Computational Sciences, University of Tsukuba, Ibaraki 305-8571 (Japan); Department of Physics, Faculty of Sciences, University of Birjand, Birjand 97175-615 (Iran, Islamic Republic of); Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Nemura, Hidekatsu [Center for Computational Sciences, University of Tsukuba, Ibaraki 305-8571 (Japan); Aoki, Sinya [Center for Computational Sciences, University of Tsukuba, Ibaraki 305-8571 (Japan); Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Doi, Takumi [Theoretical Research Division, Nishina Center, RIKEN, Saitama 351-0198 (Japan); Hatsuda, Tetsuo [Theoretical Research Division, Nishina Center, RIKEN, Saitama 351-0198 (Japan); Kavli IPMU (WPI), The University of Tokyo, Chiba 277-8583 (Japan); Ikeda, Yoichi [Theoretical Research Division, Nishina Center, RIKEN, Saitama 351-0198 (Japan); Inoue, Takashi [Nihon University, College of Bioresource Sciences, Kanagawa 252-0880 (Japan); Ishii, Noriyoshi [Center for Computational Sciences, University of Tsukuba, Ibaraki 305-8571 (Japan); Murano, Keiko [Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Sasaki, Kenji [Center for Computational Sciences, University of Tsukuba, Ibaraki 305-8571 (Japan)

2014-08-15

We investigate properties of the N(nucleon)–Ω(Omega) interaction in lattice QCD to seek for possible dibaryon states in the strangeness −3 channel. We calculate the NΩ potential through the equal-time Nambu–Bethe–Salpeter wave function in 2+1 flavor lattice QCD with the renormalization group improved Iwasaki gauge action and the nonperturbatively O(a) improved Wilson quark action at the lattice spacing a≃0.12 fm on a (1.9 fm){sup 3}× 3.8 fm lattice. The ud and s quark masses in our study correspond to m{sub π}=875(1) MeV and m{sub K}=916(1) MeV. At these parameter values, the central potential in the S-wave with the spin 2 shows attractions at all distances. By solving the Schrödinger equation with this potential, we find one bound state whose binding energy is 18.9(5.0)({sup +12.1}{sub −1.8}) MeV, where the first error is the statistical one, while the second represents the systematic error.

Magnon heat capacity and magnetic susceptibility of the spin Lieb lattice

Energy Technology Data Exchange (ETDEWEB)

Yarmohammadi, Mohsen, E-mail: m.yarmohammadi69@gamil.com

2016-11-01

Using linear response theory, Heisenberg model Hamiltonian and Green's function technique, the influences of Dzyaloshinskii–Moriya interaction (DMI), external magnetic field and next-nearest-neighbor (NNN) coupling on the density of magnon modes (DMM), the magnetic susceptibility (MS) and the magnon heat capacity (MHC) of a spin Lieb lattice, a face-centered square lattice, are investigated. The results reveal a band gap in the DMM and we witness an extension in the bandwidth and an increase in the number of van-Hove singularities as well. As a notable point, besides the magnetic nature which includes ferromagnetism in spin Lieb-based nanosystems, MS is investigated. Further, we report a Schottky anomaly in the MHC. The results show that the effects of the magnetic field on the MHC and MS have different behaviors in two temperature regions. In the low temperature region, MHC and MS increase when the magnetic field strength increases. On the other hand, the MHC and MS reduce with increasing the magnetic field strength in the high temperature region. Also comprehensive numerical modelling of the DMM, the MS and the MHC of a spin Lieb lattice yields excellent qualitative agreement with the experimental data. - Highlights: • Theoretical calculation of density of states of the spin Lieb lattice. • The investigation of the effect of external magnetic field on the magnon heat capacity and magnetic susceptibility. • The investigation of the effect of NNN coupling and the DMI strength on the magnon heat capacity and magnetic susceptibility.

Measuring the contribution of low Bjorken-x gluons to the proton spin with polarized proton-proton collisions

Science.gov (United States)

Wolin, Scott Justin

The PHENIX experiment is one of two detectors located at the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Laboratory in Upton, NY. Understanding the spin structure of the proton is a central goal at RHIC, the only polarized proton-on-proton collider in existence. The PHENIX spin program has two primary objectives. The first is to improve the constraints on the polarized parton distributions of the anti-u and anti-d quarks within the proton. The second objective is to improve the constraint on the gluon spin contribution to the proton spin, DeltaG. The focus of this thesis is the second objective. PHENIX experiment has been successful at providing the first meaningful constraints on DeltaG, along with STAR, the other detector located at RHIC. These constraints have, in fact, eliminated the extreme scenarios for gluon polarization through measurements of the double spin asymmetry, ALL, between the cross section of like and unlike sign helicity pp interactions. ALL measurements can be performed with a variety of final states at PHENIX. Until 2009, these final states were only measured for pseudo-rapidities of |eta| Piston Calorimeter (MPC) was installed in 2006 and 2007 at forward rapidity, 3.1 < |eta| < 3.9, with the intention of giving PHENIX the ability to constrain Delta g(x) for x < 0.05. Following this, an electronics upgrade to the MPC will be described which enables the selection of events with two hadrons detected in the MPC. This requirement favors gluons at even lower x than the single hadron event selection. The di-hadron measurement that this upgrade makes possible will allow PHENIX to produce an ALL measurement that constrains Deltag(x) in the range of 5 x 10-4 < x < 0.01. Finally, we discuss the most important systematic uncertainty common to all ALL measurements which arises from the determination of the relative luminosity. A precision ALLL measurement requires measuring the final state yield from the portions of the proton beams that

The effects of bone on proton NMR relaxation times of surrounding liquids

Science.gov (United States)

Davis, C. A.; Genant, H. K.; Dunham, J. S.

1986-01-01

Preliminary attempts by our group at UCSF to assess fat content of vertebral marrow in the lumbar spine using relaxation time information demonstrated that the presence of trabecular bone affects relaxation times. The objective of this work was a thorough study of the effects of bone on NMR relaxation characteristics of surrounding liquids. Trabecular bone from autopsy specimens was ground up and sifted into a series of powders with graded densities ranging from 0.3 gm/cc to 0.8 gm/cc. Each powder was placed first in n-saline and then in cottonseed oil. With spectroscopy, spin-lattice relaxation times (T1) and effective spin-spin relaxation times (T2*) were measured for each liquid in each bone powder. As bone density and surface to volume ratio increased, T1 decreased faster for saline than for oil. T2* decreased significantly for both water and oil as the surface to volume ratio increased. It was concluded that effects of water on T1 could be explained by a surface interaction at the bone/liquid interface, which restricted rotational and translational motion of nearby molecules. The T1s of oil were not affected since oil molecules are nonpolar, do not participate in significant intermolecular hydrogen bonding, and therefore would not be expected to interact strongly with the bone surface. Effects on T2* could be explained by local magnetic field inhomogeneities created by discontinuous magnetic susceptibility near the bone surface. These preliminary results suggest that water in contact with trabecular bone in vivo will exhibit shortened relaxation times.

A study of the internal spin structure of the proton through inclusive and semi-inclusive polarized deep-inelastic muon-proton scattering

International Nuclear Information System (INIS)

Papavassiliou, V.

1988-01-01

The internal spin structure of the proton was studied in a deep-inelastic scattering experiment a CERN, the European Laboratory for Nuclear Research, by the European Muon Collaboration, using a longitudinally polarized muon beam and a longitudinally polarized target at irradiated ammonia. The spin asymmetry was studied as a function of the Bjorken scaling variable x and the results were in agreement over the region of overlap with previous experiments that used lower-energy polarized electron beams. The higher energies of the experiment allowed to study with precision the previously unexplored region of x below 0.1 and to compute the integral of the spin-dependent structure function g 1 of the proton. This integral was found to be in disagreement with the Ellis-Jaffe sum rule which could imply either a breakdown of the SU(3) symmetry in the decays of the members of the baryon octet or a significant polarization of the strange-quark sea of the proton opposite to the proton spin. In either case and assuming the validity of the Bjorken sum rule that relates the integrals of the spin-dependent structure functions of the proton and the neutron, the total helicity of all the quarks is found to account for only a small fraction of the proton helicity. In addition, spin asymmetries in the semi-inclusive reactions where a hadron of definite sign is observed in the final state were studied. The results are consistent with the down quarks being polarized opposite to the proton spin, as expected by symmetry arguments. Implication of the results on different areas in particle physics are presented. Some future prospects for spin physics are discussed and predictions are given for deep-inelastic-scattering experiments on polarized deuterium targets and the spin structure of the neutron

Concentration dependence of fluorine impurity spin-lattice relaxation rate in bone mineral

International Nuclear Information System (INIS)

Code, R.F.; Armstrong, R.L.; Cheng, P.-T.

1992-01-01

The concentration dependence of the fluoride ion spin-lattice relaxation rate has been observed by nuclear magnetic resonance experiments on samples of defatted and dried bone. The 19 F spin-lattice relaxation rates increased linearly with bone fluoride concentration. Different results were obtained from trabecular than from cortical bone. For the same macroscopic fluoride content per gram of bone calcium, relaxation rate is significantly faster in cortical bone. Relaxation rates in cortical bone samples prepared from rats and dogs were apparently controlled by the same species-independent processes. For samples from beagle dogs, bulk fluoride concentrations measured by neutron activation analysis were 3.1±0.3 times greater in trabecular bone than in corresponding cortical bone. The beagle spin-lattice relaxation data suggest that microscopic fluoride concentrations in bone mineral were 1.8±0.4 times greater in trabecular bone than in cortical bone. It is concluded that accumulation of fluoride impurities in bone mineral is non-uniform. (author)

Resolution of Single Spin-Flips of a Single Proton

CERN Document Server

Mooser, A.; Blaum, K.; Bräuninger, S.A.; Franke, K.; Leiteritz, C.; Quint, W.; Rodegheri, C.C.; Ulmer, S.; Walz, J.

2013-04-04

The spin magnetic moment of a single proton in a cryogenic Penning trap was coupled to the particle's axial motion with a superimposed magnetic bottle. Jumps in the oscillation frequency indicate spin-flips and were identified using a Bayesian analysis.

Spin-isospin excitation of 3He with three-proton final state

Science.gov (United States)

Ishikawa, Souichi

2018-01-01

Spin-isospin excitation of the {}^3He nucleus by a proton-induced charge exchange reaction, {}^3He(p,n)ppp, at forward neutron scattering angle is studied in a plane wave impulse approximation (PWIA). In PWIA, cross sections of the reaction are written in terms of proton-neutron scattering amplitudes and response functions of the transition from {}3He to the three-proton state by spin-isospin transition operators. The response functions are calculated with realistic nucleon-nucleon potential models using a Faddeev three-body method. Calculated cross sections agree with available experimental data in substance. Possible effects arising from the uncertainty of proton-neutron amplitudes and three-nucleon interactions in the three-proton system are examined.

Temperature dependence of electron spin-lattice relaxation of radiation-produced silver atoms in polycrystalline aqueous and glassy organic matrices. Importance of relaxation by tunneling modes in disordered matrices

International Nuclear Information System (INIS)

Michalik, J.; Kevan, L.

1978-01-01

The electron spin-lattice relaxation of trapped silver atoms in polycrystalline ice matrices and in methanol, ethanol, propylene carbonate, and 2-methyltetrahydrofuran organic glasses has been directly studied as a function of temperature by the saturation-recovery method. Below 40 K the dominant electron spin-lattice relaxation mechanism involves modulation of the electron nuclear dipolar interaction with nuclei in the radical's environment by tunneling of those nuclei between two nearly equal energy configurations. This relaxation mechanism occurs with high efficiency, has a characteristic linear temperature dependence, and is typically found in highly disordered matrices. The efficiency of this relaxation mechanism seems to decrease with decreasing polarity of the matrix. Deuteration experiments show that the tunneling nuclei are protons and in methanol it is shown that the methyl protons have more tunneling modes available than the hydroxyl protons. In polycrystalline ice matrices silver atoms can be stabilized with two different orientations of surrounding water molecules; the efficiency of the tunneling relaxation reflects this difference. From these and previous results on tunneling relaxation of trapped electrons in glassy matrices it appears that tunneling relaxation may be used to distinguish models with different geometrical configurations and to determine the relative rigidity of such configurations around trapped radicals in disordered solids. (author)

NMR studies of hydrogen diffusion in hydrogen uranyl phosphate tetrahydrate (HUP)

International Nuclear Information System (INIS)

Metcalfe, K.

1988-01-01

1 H NMR spin-lattice relaxation times, T 1 (Zeeman) and T 1p (rotating frame) and spin-spin relaxation times, T 2 , and 31 P NMR solid-echoes are reported for phase I and II of hydrogen uranyl phosphate tetrahydrate (HUP) at temperatures in the range 200-323 K. The spectral density functions extracted from the measured relaxation times for phases I and II are consistent with a 2D diffusion mechanism for hydrogen motion. 31 P second moments determined from the solid-echoes show that all the hydrogens diffuse rapidly in phase I, and that the hydrogen-bond site nearest to the phosphate oxygen is not occupied in phase II. The mechanism for diffusion in phase II is discussed. 30 refs.; 6 figs.; 2 tabs

Pulsed NMR studies of crosslinking and entanglements in high molecular weight linear polydimethylsiloxanes

International Nuclear Information System (INIS)

Folland, R.; Charlesby, A.

1977-01-01

Pulsed NMR studies of proton spin relaxation are used to investigate both radiation-induced cross linking and entanglements in three high molecular weight linear polydimethylsiloxanes (Msub(w) = 26,000, 63,000 and 110,000). Particular emphasis is placed on the spin-spin relaxation since this is determined by the slower relative translational motions of the polymer chains and hence profoundly affected by the presence of intermolecular couplings such as crosslinks or entanglements. The spin-lattice relaxation times, T 1 , are determined by the fast anisotropic chain rotations and are rather insensitive to such intermolecular couplings. The spin-spin relaxation in these materials is represented by a double exponential decay involving two time constants, Tsub(2S) and Tsub(2L). The shorter component, Tsub(2S), is attributed to network material, which may be either of a dynamic form arising from temporary entanglements or of a permanent nature due to crosslinks. The concentration of entanglements depends on the initial molecular weight of the sample whereas the concentration of crosslinks is a function of the radiation dose. The longer component, Tsub(2L), is attributed to the non-network molecules. On the time scale of the NMR measurements the entanglements are shown to act in the same way as crosslinks. The variation of the relative proportions of network and non-network material with dose is shown to be accounted for by using standard gelation theory when allowance is made for the initial effective crosslink density due to entanglements. The analysis provides a value for the average molecular weight per entanglement point of 27,000 +- 1000 which is consistent with the critical molecular weight for entanglements of 29,000. The dependences of Tsub(2S) and Tsub(2L) on dose and molecular weight are also discussed in terms of the molecular motion. (author)

Solid-state NMR paramagnetic relaxation enhancement immersion depth studies in phospholipid bilayers

KAUST Repository

Chu, Shidong

2010-11-01

A new approach for determining the membrane immersion depth of a spin-labeled probe has been developed using paramagnetic relaxation enhancement (PRE) in solid-state NMR spectroscopy. A DOXYL spin label was placed at different sites of 1-palmitoyl-2-stearoyl-sn-glycero-3-phosphocholine (PSPC) phospholipid bilayers as paramagnetic moieties and the resulting enhancements of the longitudinal relaxation (T1) times of 31P nuclei on the surface of the bilayers were measured by a standard inversion recovery pulse sequence. The 31P NMR spin-lattice relaxation times decrease steadily as the DOXYL spin label moves closer to the surface as well as the concentration of the spin-labeled lipids increase. The enhanced relaxation vs. the position and concentration of spin-labels indicate that PRE induced by the DOXYL spin label are significant to determine longer distances over the whole range of the membrane depths. When these data were combined with estimated correlation times τc, the r-6-weighted, time-averaged distances between the spin-labels and the 31P nuclei on the membrane surface were estimated. The application of using this solid-state NMR PRE approach coupled with site-directed spin labeling (SDSL) may be a powerful method for measuring membrane protein immersion depth. © 2010 Elsevier Inc. All rights reserved.

Systematic construction of spin liquids on the square lattice from tensor networks with SU(2) symmetry

Science.gov (United States)

Mambrini, Matthieu; Orús, Román; Poilblanc, Didier

2016-11-01

We elaborate a simple classification scheme of all rank-5 SU(2) spin rotational symmetric tensors according to (i) the onsite physical spin S , (ii) the local Hilbert space V⊗4 of the four virtual (composite) spins attached to each site, and (iii) the irreducible representations of the C4 v point group of the square lattice. We apply our scheme to draw a complete list of all SU(2)-symmetric translationally and rotationally invariant projected entangled pair states (PEPS) with bond dimension D ≤6 . All known SU(2)-symmetric PEPS on the square lattice are recovered and simple generalizations are provided in some cases. More generally, to each of our symmetry class can be associated a (D -1 )-dimensional manifold of spin liquids (potentially) preserving lattice symmetries and defined in terms of D -independent tensors of a given bond dimension D . In addition, generic (low-dimensional) families of PEPS explicitly breaking either (i) particular point-group lattice symmetries (lattice nematics) or (ii) time-reversal symmetry (chiral spin liquids) or (iii) SU(2) spin rotation symmetry down to U(1 ) (spin nematics or Néel antiferromagnets) can also be constructed. We apply this framework to search for new topological chiral spin liquids characterized by well-defined chiral edge modes, as revealed by their entanglement spectrum. In particular, we show how the symmetrization of a double-layer PEPS leads to a chiral topological state with a gapless edge described by a SU (2) 2 Wess-Zumino-Witten model.

Why QCD lattice theory is important to spin physicists

International Nuclear Information System (INIS)

Rebbi, C.

1982-01-01

The lattice formulation of a quantum field theory allows calculations in the regime of strong coupling, by expansion techniques, and for intermediate coupling, by Monte Carlo simulations. These computations are especially valuable in the case of Quantum Chromodynamics (QCD), where several of the most important problems are not amenable to a perturbative analysis. Monte carlo simulations, in particular, have recently emerged as a very powerful tool and have been used to evaluate a variety of important physical quantities, such as the string tension, the deconfinement temperature, the scale of the interquark potential, glueball masses and masses in the quark model spectrum. If we consider those problems of strong interactions where spin plays an important role, it is unlikely, for the moment at least, that the lattice formulation may be of relevance where the phenomena being investigated involve propagations over extended domains of space-time; thus, for instance, it is impossible to perform a meaningful simulation of a scattering experiment on the lattice. But we are at the stage where Monte Carlo calculations begin to provide relevant information on spectroscopic properties related to spin. These are briefly discussed

First observation of spin flips with a single proton stored in a cryogenic Penning trap

International Nuclear Information System (INIS)

Ulmer, Stefan

2011-01-01

In this thesis the very first observation of spin transitions of a single proton stored in a cryogenic double-Penning trap is presented. The experimental observation of spin transitions is based on the continuous Stern-Gerlach effect, which couples the spin of the single trapped proton to its axial eigenfrequency, by means of an inhomogeneous magnetic field. A spin transition causes a change of the axial frequency, which can be measured non-destructively. Due to the tiny magnetic moment of the proton, the direct detection of proton spin-flips is an exceeding challenge. To achieve spin-flip resolution, the proton was stored in the largest magnetic field inhomogeneity, which has ever been superimposed to a Penning trap, and its axial frequency was detected non-destructively. Therefore, superconducting detection systems with ultrahigh-sensitivity were developed, allowing the direct observation of the single trapped proton, as well as the high-precision determination of its eigenfrequencies. Based on novel experimental methods, which were developed in the framework of this thesis, the axial frequency of the particle was stabilized to a level, where the observation of single-proton spin-flips is possible, which was demonstrated. This experimental success is one of the most important steps towards the high-precision determination of the magnetic moment of the free proton. With the very first observation of spin transitions with a single trapped proton, a highly exciting perspective opens. All experimental techniques which were developed in this thesis can be directly applied to the antiproton. Thus, the first high-precision measurement of the magnetic moment of the antiproton becomes possible. This will provide a new high-precision test of the matterantimatter symmetry. (orig.)

The Proton-Spin Crisis another ABJ anomaly?

CERN Document Server

Shore, G.M.

1998-01-01

Contents: 1. Introduction; 2. The First Moment Sum Rule for $g_1^p$; 3. The Parton Model and the `Proton Spin'; 4. The CPV Method and Topological Charge Screening; 5. Experiment; 6. Semi-Inclusive Polarised DIS.

Cation Hydration Constants by Proton NMR: A Physical Chemistry Experiment.

Science.gov (United States)

Smith, Robert L.; And Others

1988-01-01

Studies the polarization effect on water by cations and anions. Describes an experiment to illustrate the polarization effect of sodium, lithium, calcium, and strontium ions on the water molecule in the hydration spheres of the ions. Analysis is performed by proton NMR. (MVL)

Magnon and phonon dispersion, lifetime, and thermal conductivity of iron from spin-lattice dynamics simulations

Science.gov (United States)

Wu, Xufei; Liu, Zeyu; Luo, Tengfei

2018-02-01

In recent years, the fundamental physics of spin-lattice (e.g., magnon-phonon) interaction has attracted significant experimental and theoretical interests given its potential paradigm-shifting impacts in areas like spin-thermoelectrics, spin-caloritronics, and spintronics. Modelling studies of the transport of magnons and phonons in magnetic crystals are very rare. In this paper, we use spin-lattice dynamics (SLD) simulations to model ferromagnetic crystalline iron, where the spin and lattice systems are coupled through the atomic position-dependent exchange function, and thus the interaction between magnons and phonons is naturally considered. We then present a method combining SLD simulations with spectral energy analysis to calculate the magnon and phonon harmonic (e.g., dispersion, specific heat, and group velocity) and anharmonic (e.g., scattering rate) properties, based on which their thermal conductivity values are calculated. This work represents an example of using SLD simulations to understand the transport properties involving coupled magnon and phonon dynamics.

Enhanced NMR signal detection of imino protons in RNA molecules containing 3' dangling nucleotides

International Nuclear Information System (INIS)

Amborski, Andrew N.; Johnson, Philip E.

2008-01-01

We present a method for improving the quality of nuclear magnetic resonance (NMR) spectra involving exchangeable protons near the base of the stem of RNA hairpin molecules. NMR spectra of five different RNA hairpins were compared. These hairpins consisted of a native RNA structure and four molecules each having different unpaired, or dangling, nucleotides at the 3' end. NMR experiments were acquired in water for each construct and the quality of the imino proton spectral regions were examined. The imino resonances near the base of the stem of the wild type RNA structure were not observed due to breathing motions. However, a significant increase in spectral quality for molecules with dangling 3' adenosine or guanosine nucleotides was observed, with imino protons detected in these constructs that were not observed in the wild type construct. A modest improvement in spectral quality was seen for the construct with a 3' unpaired uridine, whereas no significant improvement was observed for a 3' unpaired cytidine. This improvement in NMR spectral quality mirrors the increased thermodynamic stability observed for 3' unpaired nucleotides which is dependant on the stacking interactions of these nucleotides against the base of the stem. The use of a dangling 3' adenosine nucleotide represents an easy method to significantly improve the quality of NMR spectra of RNA molecules

Magnetic structure and spin dynamics of the ground state of the molecular cluster Mn12O12 acetate studied by 55Mn NMR

International Nuclear Information System (INIS)

Furukawa, Y.; Watanabe, K.; Kumagai, K.; Borsa, F.; Gatteschi, D.

2001-01-01

55 Mn nuclear magnetic resonance (NMR) measurements have been carried out in an oriented powder sample of Mn12 acetate at low temperature (1.4--3 K) in order to investigate locally the static and dynamic magnetic properties of the molecule in its high-spin S=10 ground state. We report the observation of three 55 MnNMR lines under zero external magnetic field. From the resonance frequency and the width of the lines we derive the internal hyperfine field and the quadrupole coupling constant at each of the three nonequivalent Mn ion sites. From the field dependence of the spectrum we obtain a direct confirmation of the standard picture, in which spin moments of Mn 4+ ions (S=3/2) of the inner tetrahedron are polarized antiparallel to that of Mn 3+ ions (S=2) of the outer ring with no measurable canting from the easy axis up to an applied field of 6 T. It is found that the splitting of the 55 Mn-NMR lines when a magnetic field is applied at low temperature allows one to monitor the off-equilibrium population of the molecules in the different low lying magnetic states. The measured nuclear spin-lattice relaxation time T 1 strongly depends on temperature and magnetic field. The behavior could be fitted well by considering the local-field fluctuations at the nuclear 55 Mn site due to the thermal reorientation of the total S=10 spin of the molecule. From the fit of the data one can derive the product of the spin-phonon coupling constant times the mean-square value of the fluctuating hyperfine field. The two constants could be estimated separately by making some assumptions. The comparison of the mean-square fluctuation from relaxation with the static hyperfine field from the spectrum suggests that nonuniform terms (q≠0) are important in describing the spin dynamics of the local Mn moments in the ground state

Proton spin tracking with symplectic integration of orbit motion

Energy Technology Data Exchange (ETDEWEB)

Luo, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Dutheil, Y. [Brookhaven National Lab. (BNL), Upton, NY (United States); Huang, H. [Brookhaven National Lab. (BNL), Upton, NY (United States); Meot, F. [Brookhaven National Lab. (BNL), Upton, NY (United States); Ranjbar, V. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2015-05-03

Symplectic integration had been adopted for orbital motion tracking in code SimTrack. SimTrack has been extensively used for dynamic aperture calculation with beam-beam interaction for the Relativistic Heavy Ion Collider (RHIC). Recently proton spin tracking has been implemented on top of symplectic orbital motion in this code. In this article, we will explain the implementation of spin motion based on Thomas-BMT equation, and the benchmarking with other spin tracking codes currently used for RHIC. Examples to calculate spin closed orbit and spin tunes are presented too.

Nuclear magnetic moment of 69As from on-line β-NMR on oriented nuclei

International Nuclear Information System (INIS)

Golovko, V.V.; Kraev, I.S.; Phalet, T.; Severijns, N.; Delaure, B.; Beck, M.; Kozlov, V.Yu.; Lindroth, A.; Coeck, S.; Zakoucky, D.; Venos, D.; Srnka, D.; Honusek, M.; Herzog, P.; Tramm, C.; Koester, U.

2005-01-01

A precise value for the magnetic moment of the 69 As 5/2 - ground state has been obtained from nuclear magnetic resonance on oriented nuclei (NMR/ON) using the NICOLE 3 He- 4 He dilution refrigerator setup at ISOLDE/CERN. The NMR/ON signal was observed by monitoring the anisotropy of the 69 As β particles. The center frequency ν[B ext =0.0994(10)T]=169.98(9) MHz corresponds to μ[ 69 As]=+1.6229(16)μ N . This result differs considerably from the πf 5/2 single-particle value obtained with g factors for a free proton but is in reasonable agreement with the value obtained with effective g factors and with values from a core polarization calculation and from calculations in the framework of the interacting boson-fermion model. Assuming a single exponential spin-lattice relaxation behavior a relaxation time T 1 ' =10(25) s was observed for 69 AsFe -bar at a temperature of about 20 mK in a magnetic field B=0.1 T

1H NMR relaxometry in the TGBA* and TGBC*phases

Czech Academy of Sciences Publication Activity Database

Domenici, V.; Gradišek, A.; Apih, T.; Hamplová, Věra; Novotná, Vladimíra; Sebastião, P.J.

2016-01-01

Roč. 49, č. 1 (2016), 17-27 ISSN 0015-0193 Grant - others:AVČR(CZ) M100101204 Institutional support: RVO:68378271 Keywords : Ferroelectric liquid crystal * chiral liquid crystals * molecular dynamics * NMR * twist grain boundary phases * spin-lattice Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.551, year: 2016

Nuclear spin dynamics in soap solutions and related systems

International Nuclear Information System (INIS)

Bloom, M.

1973-01-01

Soap molecules consist of a hydrophilic head and a hydrophobic lipid tail. For example, potassium laureate, the soap molecule on which the most complete study of nuclear spin dynamics has been made has the chemical formula KCOO(CH 2 ) 10 CH 3 . High concentration (greater than or approximately equal to 20% soap molecules by weight) soap solutions in water form ordered, liquid crystal structures in which the polar heads are arranged on regular surfaces which define a lattice having long range order. The soap molecules diffuse very rapidly parallel to the surfaces and undergo rapid conformational changes. Studies of T 1 , Tsub(1p) and Tsub(D) have indicated a wide spectrum of correlation times associated with these changes. Because of the orientational order of the soap molecules, the dipolar interactions between nuclear spins on a single molecule are not averaged to zero by the molecular motions. Thus, it is possible to use NMR techniques normally applied to solids (i.e. transfer of Zeeman into dipolar order, etc.) to study their static and dynamical properties. These systems are unusual in that they are basically one-dimensional systems in which the effective, time-averaged, dipolar coupling constants become progressively stronger for protons closer to the polar heads ot the molecules. A review will be presented of the experimental and theoretical NMR work performed on such systems to date. (author)

An NMR relaxometry and gravimetric study of gelatin-free aqueous polyacrylamide dosimeters

International Nuclear Information System (INIS)

Babic, Steven; Schreiner, L John

2006-01-01

In conformal radiation therapy, a high dose of radiation is given to a target volume to increase the probability of cure, and care is taken to minimize the dose to surrounding healthy tissue. The techniques used to achieve this are very complicated and the precise verification of the resulting three-dimensional (3D) dose distribution is required. Polyacrylamide gelatin (PAG) dosimeters with magnetic resonance imaging and optical computed tomography scanning provide the required 3D dosimetry with high spatial resolution. Many basic studies have characterized these chemical dosimeters that polymerize under irradiation. However, the investigation of the fundamental properties of the radiation-induced polymerization in PAG dosimeters is complicated by the presence of the background gelatin matrix. In this work, a gelatin-free model system for the study of the basic radiation-induced polymerization in PAG dosimeters has been developed. Experiments were performed on gelatin-free dosimeters, named aqueous polyacrylamide (APA) dosimeters, containing equal amounts of acrylamide and N,N'-methylene-bisacrylamide. The APA dosimeters were prepared with four different total monomer concentrations (2, 4, 6 and 8% by weight). Nuclear magnetic resonance (NMR) spin-spin and spin-lattice proton relaxation measurements at 20 MHz, and gravimetric analyses performed on all four dosimeters, show a continuous degree of polymerization over the dose range of 0-25 Gy. The developed NMR model explains the relationship observed between the relaxation data and the amount of crosslinked polymer formed at each dose. This model can be extended with gelatin relaxation data to provide a fundamental understanding of radiation-induced polymerization in the conventional PAG dosimeters

Enhanced optical spin current injection in the hexagonal lattice with intrinsic and Rashba spin–orbit interactions

Energy Technology Data Exchange (ETDEWEB)

Zou, Jianfei, E-mail: zoujianfei@hhu.edu.cn; Tang, Chunmei; Zhang, Aimei

2017-04-04

We study the photo-induced spin current injection in a hexagonal lattice with both intrinsic and Rashba spin–orbit interactions which is irradiated by a polarized light beam. It is found that the spin current injection rate could be enhanced as the graphene lattice is in the topological insulator state. Furthermore, the spin current injection rate could be remarkably modulated by the degree of polarization of light and its frequency. - Highlights: • The optical spin current could be enhanced by the intrinsic spin–orbit interaction. • The optical spin current could be modulated by the degree of polarization of light. • The maximum of the spin current injection rate is obtained.

Evidence for an anisotropic contact shift. Proton NMR study of line shapes in uranocene and (C5H5)3UCl powders

International Nuclear Information System (INIS)

McGarvey, B.R.; Nagy, S.

1987-01-01

The proton NMR spectra of solid powders of uranocene and (C 5 H 5 ) 3 UCl were measured from 90 to 298 K. The line shapes of both systems became increasingly anisotropic as the temperature was lowered. The cyclooctatetraene rings in uranocene were found to be rotating at a frequency greater than 100 kHz down to 90 K. The (C 5 H 5 ) 3 UCl molecules were found to be reorienting rapidly above 220 K, but below 140 K the NMR spectra were characteristic of a rigid lattice with no rotation of the cyclopentadienyl rings. The spectra of both compounds could be simulated by assuming an axial paramagnetic shift tensor and an orientation-dependent line width. Comparison of the experimental shift tensor with that calculated for a point dipolar interaction revealed a large and very anisotropic paramagnetic shift for uranocene due to unpaired spin transferred into the ligand orbitals. The shift was large when the magnetic field was along the 8-fold symmetry axis of the molecule and nearly zero perpendicular to the axis. It appears conclusive that the contact shift in uranocene is not isotropic at all. A similar anisotropy in the contact shift associated with the cyclopentadienyl rings is evident also in the results for (C 5 H 5 )UCl. The average solid-state shift of uranocene agreed with the solution shift, within experimental error, but the solid state shift of (C 5 H 5 ) 3 UCl was 42 ppm greater than the solution shift at 298 K, indicating a difference in molecular geometry between the crystalline state and solution. 32 references, 8 figures, 3 tables

Local NMR relaxation rates T1-1 and T2-1 depending on the d -vector symmetry in the vortex state of chiral and helical p -wave superconductors

Science.gov (United States)

Tanaka, Kenta K.; Ichioka, Masanori; Onari, Seiichiro

2018-04-01

Local NMR relaxation rates in the vortex state of chiral and helical p -wave superconductors are investigated by the quasiclassical Eilenberger theory. We calculate the spatial and resonance frequency dependences of the local NMR spin-lattice relaxation rate T1-1 and spin-spin relaxation rate T2-1. Depending on the relation between the NMR relaxation direction and the d -vector symmetry, the local T1-1 and T2-1 in the vortex core region show different behaviors. When the NMR relaxation direction is parallel to the d -vector component, the local NMR relaxation rate is anomalously suppressed by the negative coherence effect due to the spin dependence of the odd-frequency s -wave spin-triplet Cooper pairs. The difference between the local T1-1 and T2-1 in the site-selective NMR measurement is expected to be a method to examine the d -vector symmetry of candidate materials for spin-triplet superconductors.

Local electronic structure of TM-based alloys: a pulsed NMR study

International Nuclear Information System (INIS)

Guerra, D.A.

1984-01-01

A pulsed NMR study on several transition metal + metalloid amorphous alloys is reported. The analisis of Knight shifts and nuclear spin-lattice relaxation of metalloids indicates a dominant contribution of p-electrons in the Fermi level density of state, supporting the existence of a p-d hibridization. (author) [pt

Phase transitions and spin excitations of spin-1 bosons in optical lattice

Science.gov (United States)

Zhu, Min-Jie; Zhao, Bo

2018-03-01

For spin-1 bosonic system trapped in optical lattice, we investigate two main problems, including MI-SF phase transition and magnetic phase separations in MI phase, with extended standard basis operator (SBO) method. For both ferromagnetic (U2 0) systems, we analytically figure out the symmetry properties in Mott-insulator and superfluid phases, which would provide a deeper insight into the MI-SF phase transition process. Then by applying self-consistent approach to the method, we include the effect of quantum and thermal fluctuations and derive the MI-SF transition phase diagram, which is in quantitative agreement with recent Monte-Carlo simulation at zero temperature, and at finite temperature, we find the underestimation of finite-temperature-effect in the mean-field approximation method. If we further consider the spin excitations in the insulating states of spin-1 system in external field, distinct spin phases are expected. Therefore, in the Mott lobes with n = 1 and n = 2 atoms per site, we give analytical and numerical boundaries of the singlet, nematic, partially magnetic and ferromagnetic phases in the magnetic phase diagrams.

Spin structure of the proton

International Nuclear Information System (INIS)

Nathan Isgur

1995-01-01

In these lectures the author argues that their response to the spin crisis should not be to abandon the naive quark model baby, but rather to allow it to mature. He begin by recalling what a beautiful baby the quark model is via an overview of its successes in spectroscopy, dynamics, and valence spin structure. He also introduces the conservative hypothesis that dynamical qanti q pairs are its key missing ingredient. He then discusses dressing the baby. He first shows that it can be clothed in glue without changing its spectroscopic successes. In the process, several dynamical mysteries associated with quark model spectroscopy are potentially explained. Next, he dresses the baby in qanti q pairs, first showing that this can be done without compromising the naive quark model's success with either spectroscopy or the OZI rule. Finally, he shows that despite their near invisibility elsewhere, pairs do play an important role in the proton's spin structure by creating an antipolarized qanti q sea. In the context of an explicit calculation he demonstrate that it is plausible that the entire ''spin crisis'' arises from this effect

NMR evidence for protonated tetraethyl p-tert-butylcalix[4]arene tetracacetate

Czech Academy of Sciences Publication Activity Database

Kříž, Jaroslav; Dybal, Jiří; Makrlík, E.; Vaňura, P.

2007-01-01

Roč. 81, č. 7 (2007), s. 1321-1326 ISSN 0137- 5083 Institutional research plan: CEZ:AV0Z40500505 Keywords : calix[4]arene * protonation * NMR * acetonitrile Subject RIV: CC - Organic Chemistry Impact factor: 0.483, year: 2007

Nuclear spin response studies in inelastic polarized proton scattering

International Nuclear Information System (INIS)

Jones, K.W.

1988-01-01

Spin-flip probabilities S/sub nn/ have been measured for inelastic proton scattering at incident proton energies around 300 MeV from a number of nuclei. At low excitation energies S/sub nn/ is below the free value. For excitation energies above about 30 MeV for momentum transfers between about 0.35 fm/sup /minus/1/ and 0.65 fm/sup / minus/1/ S/sub nn/ exceeds free values significantly. These results suggest that the relative ΔS = 1(ΔS = 0 + ΔS = 1) nuclear spin response approaches about 90% in the region of the enhancement. Comparison of the data with slab response calculations are presented. Decomposition of the measured cross sections into σ(ΔS = 0) and σ(ΔS = 1) permit extraction of nonspin-flip and spin-flip dipole and quadrupole strengths. 29 refs., 11 figs

High-resolution proton NMR spectroscopy of cerebrospinal fluid: methodological issues and potential clinical applications

International Nuclear Information System (INIS)

Kriat, M.; Nicoli, F.; Vion-Dury, J.; Confort-Gouny, S.; Cozzone, P.J.; Nicoli, F.; Gastaut, J.L.; Dano, P.; Grisoli, F.

1991-01-01

High resolution proton nuclear magnetic resonance (NMR) spectroscopy is a new analytical technique which allows to readily identify and quantitate a variety of key metabolites in cerebrospinal fluid (CSF) in relation to normal and pathological brain activity. Proton NMR spectroscopy can be performed on native CSF, with or without addition of exchange reagent (NH 4 Cl). The analysis of native CSF provides qualitative information (identification) of metabolites or xenobiotics present in the fluid. Alternately, CSF can be lyophilized and dissolved in deuterated water. This concentration offers 2 advantages: additional compounds are detected and a precise quantification of all CSF metabolites can be obtained. Both protocols require a very small volume of CFS (1-2 ml). The high informational content available on the NMR spectra of CSF, the ease-of-use of NMR spectroscopy and its cost effectiveness concur to predict that this analytical approach will keep developing to completement the array of existing tests which are already routinely performed on CSF. 6 figs [fr

Line-narrowing in proton-detected nitrogen-14 NMR

Science.gov (United States)

Cavadini, Simone; Vitzthum, Veronika; Ulzega, Simone; Abraham, Anuji; Bodenhausen, Geoffrey

2010-01-01

In solids spinning at the magic angle, the indirect detection of single-quantum (SQ) and double-quantum (DQ) 14N spectra ( I = 1) via spy nuclei S = 1/2 such as protons can be achieved in the manner of heteronuclear single- or multiple-quantum correlation (HSQC or HMQC) spectroscopy. The HMQC method relies on the excitation of two-spin coherences of the type T11IT11S and T21IT11S at the beginning of the evolution interval t1. The spectra obtained by Fourier transformation from t1 to ω1 may be broadened by the homogenous decay of the transverse terms of the spy nuclei S. This broadening is mostly due to homonuclear dipolar S- S' interactions between the proton spy nuclei. In this work we have investigated the possibility of inserting rotor-synchronized symmetry-based C or R sequences and decoupling schemes such as Phase-Modulated Lee-Goldburg (PMLG) sequences in the evolution period. These schemes reduce the homonuclear proton-proton interactions and lead to an enhancement of the resolution of both SQ and DQ proton-detected 14N HMQC spectra. In addition, we have investigated the combination of HSQC with symmetry-based sequences and PMLG and shown that the highest resolution in the 14N dimension is achieved by using HSQC in combination with symmetry-based sequences of the R-type. We show improvements in resolution in samples of L-alanine and the tripeptide ala-ala-gly (AAG). In particular, for L-alanine the width of the 14N SQ peak is reduced from 2 to 1.2 kHz, in agreement with simulations. We report accurate measurements of quadrupolar coupling constants and asymmetry parameters for amide 14N in AAG peptide bonds.

Spin dynamics in CuO and Cu[sub 1[minus][ital x

Energy Technology Data Exchange (ETDEWEB)

Carretta, P.; Corti, M.; Rigamonti, A. (Department of Physics Alessandro Volta,' ' University of Pavia, Via Bassi 6, 27100 Pavia (Italy))

1993-08-01

[sup 63]Cu nuclear quadrupole resonance (NQR), nuclear antiferromagnetic resonance (AFNMR), and spin-lattice relaxation, as well as [sup 7]Li NMR and relaxation measurements in CuO and in Cu[sub 1[minus][ital x

One dimensionalization in the spin-1 Heisenberg model on the anisotropic triangular lattice

Science.gov (United States)

Gonzalez, M. G.; Ghioldi, E. A.; Gazza, C. J.; Manuel, L. O.; Trumper, A. E.

2017-11-01

We investigate the effect of dimensional crossover in the ground state of the antiferromagnetic spin-1 Heisenberg model on the anisotropic triangular lattice that interpolates between the regime of weakly coupled Haldane chains (J'≪J ) and the isotropic triangular lattice (J'=J ). We use the density-matrix renormalization group (DMRG) and Schwinger boson theory performed at the Gaussian correction level above the saddle-point solution. Our DMRG results show an abrupt transition between decoupled spin chains and the spirally ordered regime at (J'/J) c˜0.42 , signaled by the sudden closing of the spin gap. Coming from the magnetically ordered side, the computation of the spin stiffness within Schwinger boson theory predicts the instability of the spiral magnetic order toward a magnetically disordered phase with one-dimensional features at (J'/J) c˜0.43 . The agreement of these complementary methods, along with the strong difference found between the intra- and the interchain DMRG short spin-spin correlations for sufficiently large values of the interchain coupling, suggests that the interplay between the quantum fluctuations and the dimensional crossover effects gives rise to the one-dimensionalization phenomenon in this frustrated spin-1 Hamiltonian.

Luther-Emery liquid in the NMR relaxation rate of carbon nanotubes

International Nuclear Information System (INIS)

Gulacsi, Miklos; Simon, Ferenc; Wzietek, Pawel; Kuzmany, Hans; Dora, Balazs

2008-01-01

We analyze a recent NMR experiments by Singer et al.[Singer et al. Phys. Rev. Lett. 95, 236403 (2005).], which showed a deviation from Fermi-liquid behavior in carbon nanotubes with an energy gap evident at low temperatures. A comprehensive theory for the magnetic field and temperature dependent NMR 13 C spin-lattice relaxation is given in the framework of the Luther-Emery and Luttinger liquids. The low temperature properties are governed by a gapped relaxation due to a spin gap (∝30 K), described by the Luther-Emery liquid picture, which crosses over smoothly to the Luttinger liquid behaviour with increasing temperature. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Fusion with highly spin polarized HD and D2

International Nuclear Information System (INIS)

Honig, A.

1992-01-01

This report discusses the following topics relating to inertial confinement with spin polarized hydrogen targets: low temperature implementation of mating a target to omega; dilution-refrigerator cold-entry and retrieval system; target shell tensile strength characterization at low temperatures; and proton and deuteron spin-lattice relaxation measurements in HD in the millikelvin temperature range

{sup 2}H NMR study of phase transition and hydrogen dynamics in hydrogen bonded organic antiferroelectric 55DMBP-H{sub 2}ca

Energy Technology Data Exchange (ETDEWEB)

Asaji, Tetsuo, E-mail: asaji@chs.nihon-u.ac.jp; Hara, Masamichi; Fujimori, Hiroki [Nihon University, Department of Chemistry, College of Humanities and Sciences (Japan); Hagiwara, Shoko [Nihon University, Department of Chemistry, Graduate School of Integrated Basic Sciences (Japan)

2016-12-15

Hydrogen dynamics in one-dimensional hydrogen bonded organic antiferroelectric, co-crystal of 5,5’-dimethyl-2,2’-bipyridine (55DMBP) and chloranilic acid (H{sub 2}ca), was investigated by use of {sup 2}H high resolution solid-state NMR. The two types of hydrogen bonds O-H …N and N{sup +}-H …O{sup −} in the antiferroelectric phase were clearly observed as the splitting of the side band of the {sup 2}H MAS NMR spectra of the acid-proton deuterated compound 55DMBP-D {sub 2}ca. The temperature dependence of the spin-lattice relaxation time was measured of the N{sup +}-H and O-H deuterons, respectively. It was suggested that the motion of the O-H deuteron is already in the antiferroelectric phase in the fast-motion regime in the NMR time scale, while that of the N{sup +}-H deuteron is a slow motion. In the high-temperature paraelectric phase, the both deuterons become equivalent and the fast motion of the deuterons in the NMR time scale is taking place with the activation energy of 7.9 kJ mol{sup −1}.

Spin and lattice structures of single-crystalline SrFe2As2

Science.gov (United States)

Zhao, Jun; Ratcliff, W., II; Lynn, J. W.; Chen, G. F.; Luo, J. L.; Wang, N. L.; Hu, Jiangping; Dai, Pengcheng

2008-10-01

We use neutron scattering to study the spin and lattice structure of single-crystal SrFe2As2 , the parent compound of the FeAs-based superconductor (Sr,K)Fe2As2 . We find that SrFe2As2 exhibits an abrupt structural phase transition at 220 K, where the structure changes from tetragonal with lattice parameters c>a=b to orthorhombic with c>a>b . At almost the same temperature, Fe spins develop a collinear antiferromagnetic structure along the orthorhombic a axis with spin direction parallel to this a axis. These results are consistent with earlier work on the RFeAsO ( R=rare earth) families of materials and on BaFe2As2 , and therefore suggest that static antiferromagnetic order is ubiquitous for the parent compounds of these FeAs-based high-transition temperature superconductors.

Fast method of NMR imaging based on trains of spin echoes

International Nuclear Information System (INIS)

Hennel, F.

1993-01-01

A theoretical introduction to Fourier NMR imaging and a discussion of fast methods are presented. Then an application of the method of echo-planar imaging (EPI) with spin echoes in a micro-imaging system is described together with introduced modifications of the sequence. A new technique for the measurement of flow profiles in liquids which results from a modification of x-pulsed EPI is presented. The development of new software for a NMR micro-imaging system is described, too. 51 refs, 29 refs

Spin dynamics in mesoscopic size magnetic systems: A 1HNMR study in rings of iron (III) ions

International Nuclear Information System (INIS)

Lascialfari, A.; Gatteschi, D.; Borsa, F.; Cornia, A.

1997-01-01

Two magnetic molecular clusters containing almost coplanar rings of iron (III) ions with spinS=5/2 have been investigated by 1 H NMR and relaxation measurements. The first system, which will be referred to as Fe6, is a molecule of general formula [NaFe 6 (OCH 3 ) 12 (C 17 O 4 H 15 ) 6 ] + ClO 4 - or [NaFe 6 (OCH 3 ) 12 (C 15 H 11 O 2 ) 6 ] + ClO 4 - or [LiFe 6 (OCH 3 ) 12 (C 15 H 11 O 2 ) 6 ] + ClO 4 - while the second type of ring, denoted Fe10, corresponds to the molecule [Fe 10 (OCH 3 ) 20 (C 2 H 2 O 2 Cl) 10 ]. The 1 H NMR linewidth is broadened by the nuclear dipolar interaction and by the dipolar coupling of the protons with the iron (III) paramagnetic moment. It is found that the nuclear spin-lattice relaxation rate, T 1 -1 , of the proton is a sensitive probe of the Fe spin dynamics. In both clusters, T 1 -1 decreases with decreasing temperatures from room temperature, goes through a peak just below about 30 K in Fe6 and 10 K in Fe10, and it drops exponentially to very small values at helium temperature. The temperature dependence of the relaxation rate is discussed in terms of the fluctuations of the local spins within the allowed total spin configurations in the framework of the weak collision theory to describe the nuclear relaxation. We use the calculated energy levels for the Fe6 ring based on a Heisenberg Hamiltonian and the value of J obtained from the fit of the magnetic susceptibility to describe semiquantitatively the behavior of T 1 -1 vs T. The exponential drop of T 1 -1 at low temperature is consistent with a nonmagnetic singlet ground state separated by an energy gap from the first excited triplet state. (Abstract Truncated)

The Toolbox of Proton Spin Physics in Historical Perspective

International Nuclear Information System (INIS)

Haeberli, Willy

2008-01-01

This paper was part of the general-interest session on lecture day, and is thus addressed to a general audience. A 50-year historic overview of the development of the tools of proton spin physics is presented: nuclear scattering, ion sources for polarized protons and deuterons based on atomic beam and optical pumping methods, and polarized gas targets

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.

Two-dimensional NMR investigations of the dynamic conformations of phospholipids and liquid crystals

Energy Technology Data Exchange (ETDEWEB)

Hong, Mei [Univ. of California, Berkeley, CA (United States). Applied Science and Technology

1996-05-01

Two-dimensional 13C, 1H, and 31P nuclear magnetic resonance (NMR) techniques are developed and used to study molecular structure and dynamics in liquid-crystalline systems, primarily phospholipids and nematic liquid crystals. NMR spectroscopy characterizes molecular conformation in terms of orientations and distances of molecular segments. In anisotropically mobile systems, this is achieved by measuring motionally-averaged nuclear dipolar couplings and chemical shift anisotropies. The short-range couplings yield useful bond order parameters, while the long-range interactions constrain the overall conformation. In this work, techniques for probing proton dipolar local fields are further developed to obtain highlyresolved dipolar couplings between protons and rare spins. By exploiting variable-angle sample spinning techniques, orientation-sensitive NMR spectra are resolved according to sitespecific isotropic chemical shifts. Moreover, the signs and magnitudes of various short-range dipolar couplings are obtained. They are used in novel theoretical analyses that provide information about segmental orientations and their distributions. Such information is obtained in a model-independent fashion or with physically reasonable assumptions. The structural investigation of phospholipids is focused on the dynam

Whole-core analysis by 13C NMR

International Nuclear Information System (INIS)

Vinegar, H.J.; Tutunjian, P.N.; Edelstein, W.A.; Roemer, P.B.

1991-01-01

This paper reports on a whole-core nuclear magnetic resonance (NMR) system that was used to obtain natural abundance 13 C spectra. The system enables rapid, nondestructive measurements of bulk volume of movable oil, aliphatic/aromatic ratio, oil viscosity, and organic vs. carbonate carbon. 13 C NMR can be used in cores where the 1 H NMR spectrum is too broad to resolve oil and water resonances separately. A 5 1/4-in. 13 C/ 1 H NMR coil was installed on a General Electric (GE) CSI-2T NMR imager/spectrometer. With a 4-in.-OD whole core, good 13 C signal/noise ratio (SNR) is obtained within minutes, while 1 H spectra are obtained in seconds. NMR measurements have been made of the 13 C and 1 H density of crude oils with a wide range of API gravities. For light- and medium-gravity oils, the 13 C and 1 H signal per unit volume is constant within about 3.5%. For heavy crudes, the 13 C and 1 H density measured by NMR is reduced by the shortening of spin-spin relaxation time. 13 C and 1 H NMR spin-lattice relaxation times were measured on a suite of Cannon viscosity standards, crude oils (4 to 60 degrees API), and alkanes (C 5 through C 16 ) with viscosities at 77 degrees F ranging from 0.5 cp to 2.5 x 10 7 cp. The 13 C and 1 H relaxation times show a similar correlation with viscosity from which oil viscosity can be estimated accurately for viscosities up to 100 cp. The 13 C surface relaxation rate for oils on water-wet rocks is very low. Nonproton decoupled 13 C NMR is shown to be insensitive to kerogen; thus, 13 C NMR measures only the movable hydrocarbon content of the cores. In carbonates, the 13 C spectrum also contains a carbonate powder pattern useful in quantifying inorganic carbon and distinguishing organic from carbonate carbon

Spin-locking of half-integer quadrupolar nuclei in NMR of solids: The far off-resonance case.

Science.gov (United States)

Odedra, Smita; Wimperis, Stephen

Spin-locking of spin I=3/2 and I=5/2 nuclei in the presence of large resonance offsets has been studied using both approximate and exact theoretical approaches and, in the case of I=3/2, experimentally. We show the variety of coherences and population states produced in a far off-resonance spin-locking NMR experiment (one consisting solely of a spin-locking pulse) and how these vary with the radiofrequency field strength and offset frequency. Under magic angle spinning (MAS) conditions and in the "adiabatic limit", these spin-locked states acquire a time dependence. We discuss the rotor-driven interconversion of the spin-locked states, using an exact density matrix approach to confirm the results of the approximate model. Using conventional and multiple-quantum filtered spin-locking 23 Na (I=3/2) NMR experiments under both static and MAS conditions, we confirm the results of the theoretical calculations, demonstrating the applicability of the approximate theoretical model to the far off-resonance case. This simplified model includes only the effects of the initial rapid dephasing of coherences that occurs at the start of the spin-locking period and its success in reproducing both experimental and exact simulation data indicates that it is this dephasing that is the dominant phenomenon in NMR spin-locking of quadrupolar nuclei, as we have previously found for the on-resonance and near-resonance cases. Potentially, far off-resonance spin-locking of quadrupolar nuclei could be of interest in experiments such as cross polarisation as a consequence of the spin-locking pulse being applied to a better defined initial state (the thermal equilibrium bulk magnetisation aligned along the z-axis) than can be created in a powdered solid with a selective radiofrequency pulse, where the effect of the pulse depends on the orientation of the individual crystallites. Copyright © 2016 Elsevier Inc. All rights reserved.

Emerging bosons with three-body interactions from spin-1 atoms in optical lattices

International Nuclear Information System (INIS)

Mazza, L.; Rizzi, M.; Cirac, J. I.; Lewenstein, M.

2010-01-01

We study two many-body systems of bosons interacting via an infinite three-body contact repulsion in a lattice: a pairs quasicondensate induced by correlated hopping and the discrete version of the Pfaffian wave function. We propose to experimentally realize systems characterized by such interaction by means of a proper spin-1 lattice Hamiltonian: spin degrees of freedom are locally mapped into occupation numbers of emerging bosons, in a fashion similar to spin-1/2 and hardcore bosons. Such a system can be realized with ultracold spin-1 atoms in a Mott insulator with a filling factor of 1. The high versatility of these setups allows us to engineer spin-hopping operators breaking the SU(2) symmetry, as needed to approximate interesting bosonic Hamiltonians with three-body hardcore constraint. For this purpose we combine bichromatic spin-independent superlattices and Raman transitions to induce a different hopping rate for each spin orientation. Finally, we illustrate how our setup could be used to experimentally realize the first setup, that is, the transition to a pairs quasicondensed phase of the emerging bosons. We also report on a route toward the realization of a discrete bosonic Pfaffian wave function and list some open problems for reaching this goal.

Tunable Quantum Spin Liquidity in the 1 /6 th-Filled Breathing Kagome Lattice

Science.gov (United States)

Akbari-Sharbaf, A.; Sinclair, R.; Verrier, A.; Ziat, D.; Zhou, H. D.; Sun, X. F.; Quilliam, J. A.

2018-06-01

We present measurements on a series of materials, Li2 In1 -xScx Mo3 O8 , that can be described as a 1 /6 th-filled breathing kagome lattice. Substituting Sc for In generates chemical pressure which alters the breathing parameter nonmonotonically. Muon spin rotation experiments show that this chemical pressure tunes the system from antiferromagnetic long range order to a quantum spin liquid phase. A strong correlation with the breathing parameter implies that it is the dominant parameter controlling the level of magnetic frustration, with increased kagome symmetry generating the quantum spin liquid phase. Magnetic susceptibility measurements suggest that this is related to distinct types of charge order induced by changes in lattice symmetry, in line with the theory of Chen et al. [Phys. Rev. B 93, 245134 (2016), 10.1103/PhysRevB.93.245134]. The specific heat for samples at intermediate Sc concentration, which have the minimum breathing parameter, show consistency with the predicted U (1 ) quantum spin liquid.

Study of albumin from beef blood serum in D2O solutions

International Nuclear Information System (INIS)

Lewandowska, D.; Podoski, T.

1994-01-01

Molecular dynamics of albumin obtained from beef blood serum have been investigated in heavy water solutions by means of NMR spectra. The chemical shifts as well as spin-lattice relaxation times have been measured. The number of water protons interacting with albumin molecule have been estimated

Homogeneity characterization of ethylene-co-vinyl acetate copolymer (EVA) and hydrophobic silica nanocomposite by low field NMR

International Nuclear Information System (INIS)

Stael, Giovanni Chaves; Tavares, Maria I.B.

2005-01-01

This project proposes the characterization of a polymeric matrix composite material using nanometric scale hydrophobic silica as charge element, with the ethylene-vinyl acetate (EVA), by using the spin-lattice relaxation time measurement applying the low field NMR

Computer-aided structure elucidation Pt. 2. /sup 1/H-NMR data interpretation

Energy Technology Data Exchange (ETDEWEB)

Szalontai, G; Recsey, Zs; Csapo, Z [Nehezvegyipari Kutato Intezet, Veszprem (Hungary)

1982-01-01

A computerized /sup 1/H-NMR data interpretation system has been developed using the artificial intelligence approach. An attempt has been made to overcome the difficulties of interpreting higher order spin systems. Proton-containing functional groups are divided into subgroups according to their spectroscopic behaviour and the information they bear. Spin simulation is used to study the effect of substituents on the higher order splitting patterns. Illustrative examples are given.

Amide proton exchange rates of a bound pepsin inhibitor determined by isotope-edited proton NMR experiments

International Nuclear Information System (INIS)

Fesik, S.W.; Luly, J.R.; Stein, H.H.; BaMaung, N.

1987-01-01

From a series of isotope-edited proton NMR spectra, amide proton exchange rates were measured at 20 C, 30 C, and 40 0 C for a tightly bound 15 N-labeled tripeptide inhibitor of porcine pepsin (IC50 = 1.7 X 10(-) M). Markedly different NH exchange rates were observed for the three amide protons of the bound inhibitor. The P1 NH exchanged much more slowly than the P2 NH and P3 NH. These results are discussed in terms of the relative solvent accessibility in the active site and the role of the NH protons of the inhibitor for hydrogen bonding to the enzyme. In this study a useful approach is demonstrated for obtaining NH exchange rates on ligands bound to biomacromolecules, the knowledge of which could be of potential utility in the design of therapeutically useful nonpeptide enzyme inhibitors from peptide leads

Zero-field NMR study on a spin glass: iron-doped 2H-niobium diselenide

International Nuclear Information System (INIS)

Chen, M.C.

1982-01-01

Spin echoes are used to study the 93 Nb NQR in 2H-NbSe 2 Fe/sub x/. Measured are (intensity) x (temperature), and T/sub 1P/ (spin-lattice relaxation parameter) and T 2 (spin-spin relaxation time) as a function of temperature. Data reveal dramatic differences between non-spin glass samples (x = 0, 0.25%, 1% and 5%) and spin glass samples (x = 8%, 10% and 12%). All of the NQR results and the model calculation of the correlation times of Fe spins are best described by the phase transition picture of spin glasses

Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra.

Science.gov (United States)

Kutateladze, Andrei G; Mukhina, Olga A

2014-09-05

Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. J. Org. Chem. 2011, 76, 4818), offers a framework for achieving practical evaluation of spin-spin coupling constants. We report a faster and more precise parametrization approach utilizing a new basis set for hydrogen atoms optimized in conjunction with (i) inexpensive B3LYP/6-31G(d) molecular geometries, (ii) inexpensive 4-31G basis set for carbon atoms in fc calculations, and (iii) individual parametrization for different atom types/hybridizations, not unlike a force field in molecular mechanics, but designed for the fc's. With the training set of 608 experimental constants we achieved rmsd <0.19 Hz. The methodology performs very well as we illustrate with a set of complex organic natural products, including strychnine (rmsd 0.19 Hz), morphine (rmsd 0.24 Hz), etc. This precision is achieved with much shorter computational times: accurate spin-spin coupling constants for the two conformers of strychnine were computed in parallel on two 16-core nodes of a Linux cluster within 10 min.

Single crystal NMR studies of high temperature superconductors

International Nuclear Information System (INIS)

Pennington, C.H.; Durand, D.J.; Zax, D.B.; Slichter, C.P.; Rice, J.P.; Bukowski, E.D.; Ginsberg, D.M.

1989-01-01

The authors report Cu NMR studies in the normal state of a single crystal of the T/sub c/ = 90 K superconductor YBa 2 Cu 3 O/sub 7/minus/δ/. The authors have measured the magnetic shift tensor, the electric field gradient tensor, the nuclear spin-lattice relaxation rate tensor, and the time dependence and functional form of the transverse decay. From these data they obtain information about the charge state and magnetic state of the Cu atoms, and the existence and size of the electronic exchange coupling between spins of adjacent Cu atoms. 18 refs., 3 figs., 2 tabs

Inorganic-organic hybrids based on poly (ε-Caprolactone and silica oxide and characterization by relaxometry applying low-field NMR

Directory of Open Access Journals (Sweden)

Mariana Sato de Souza de Bustamante Monteiro

2012-12-01

Full Text Available Poly (ε-caprolactone (PCL based hybrids containing different amounts of modified (Aerosil® R972 and unmodified (Aerosil® A200 silica oxide were prepared employing the solution method, using chloroform. The relationships of the amount of nanofillers, organic coating, molecular structure and intermolecular interaction of the hybrid materials were investigated mainly using low-field nuclear magnetic resonance (NMR. The NMR analyses involved the hydrogen spin-lattice relaxation time (T1H and hydrogen spin-lattice relaxation time in the rotating frame (T1ρH. The spin-lattice relaxation time measurements revealed that the PCL/silica oxide hybrids were heterogeneous, meaning their components were well dispersed. X-ray diffraction (XRD, differential scanning calorimetry (DSC and thermogravimetric analysis (TGA were also employed. The DSC data showed that all the materials had lower crystallization temperature (Tc and melting temperature (Tm, so the crystallinity degree of the PCL decreased in the hybrids. The TGA analysis demonstrated that the addition of modified and unmodified silica oxide does not cause considerable changes to PCL's thermal stability, since no significant variations in the maximum temperature (Tmax were observed in relation to the neat polymer.

133Cs NMR investigation of 2D frustrated Heisenberg antiferromagnet, Cs2CuCl4

Science.gov (United States)

Vachon, M.-A.; Kundhikanjana, W.; Straub, A.; Mitrovic, V. F.; Reyes, A. P.; Kuhns, P.; Coldea, R.; Tylczynski, Z.

2006-10-01

We report 133Cs nuclear magnetic resonance (NMR) measurements on the 2D frustrated Heisenberg antiferromagnet Cs2CuCl4 down to 2 K and up to 15 T. We show that 133Cs NMR is a good probe of the magnetic degrees of freedom in this material. Cu spin degrees of freedom are sensed through a strong anisotropic hyperfine coupling. The spin excitation gap opens above the critical saturation field. The gap value was determined from the activation energy of the nuclear spin-lattice relaxation rate in a magnetic field applied parallel to the Cu chains (\\skew3\\hat{b} axis). The values of the g-factor and the saturation field are consistent with the neutron-scattering and magnetization results. The measurements of the spin spin relaxation time are exploited to show that no structural changes occur down to the lowest temperatures investigated.

RVB signatures in the spin dynamics of the square-lattice Heisenberg antiferromagnet

Science.gov (United States)

Ghioldi, E. A.; Gonzalez, M. G.; Manuel, L. O.; Trumper, A. E.

2016-03-01

We investigate the spin dynamics of the square-lattice spin-\\frac{1}{2} Heisenberg antiferromagnet by means of an improved mean-field Schwinger boson calculation. By identifying both, the long-range Néel and the RVB-like components of the ground state, we propose an educated guess for the mean-field magnetic excitation consisting on a linear combination of local and bond spin flips to compute the dynamical structure factor. Our main result is that when this magnetic excitation is optimized in such a way that the corresponding sum rule is fulfilled, we recover the low- and high-energy spectral weight features of the experimental spectrum. In particular, the anomalous spectral weight depletion at (π,0) found in recent inelastic neutron scattering experiments can be attributed to the interference of the triplet bond excitations of the RVB component of the ground state. We conclude that the Schwinger boson theory seems to be a good candidate to adequately interpret the dynamic properties of the square-lattice Heisenberg antiferromagnet.

Characterization of zeolites by magic-angle-spinning NMR

International Nuclear Information System (INIS)

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

1988-01-01

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 1 H, 11 B, 27 Al, 29 Si, and 31 P. 24 refs.; 7 figs.; 1 table

Medium effects on spin observables of proton knockout reactions

International Nuclear Information System (INIS)

Krein, G.; Maris, T.A.J.; Rodrigues, B.B.; Veit, E.A.

1994-07-01

Medium modifications of the properties of bound nucleons and mesons are investigated by means of medium energy quasi free proton knockout reactions with polarized incident protons. The sensitivity of the spin observables of these reactions to modifications of the nucleon and meson properties is studied using the Bonn one-boson exchange model of the nucleon-nucleon interaction. A method proposed to extract the pp analysing power in medium from the (p, 2 p) asymmetries indicates a reduction of this quantity compared to its free space value. This reduction is linked to modifications of masses and coupling constants of the nucleons and mesons in the nucleus. The implications of these modifications for another spin observable to be measured in the future are discussed. (author). 39 refs, 9 figs

Medium effects on spin observables of proton knockout reactions

Energy Technology Data Exchange (ETDEWEB)

Krein, G [Instituto de Fisica Teorica (IFT), Sao Paulo, SP (Brazil); Maris, T A.J.; Rodrigues, B B; Veit, E A [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Inst. de Fisica

1994-07-01

Medium modifications of the properties of bound nucleons and mesons are investigated by means of medium energy quasi free proton knockout reactions with polarized incident protons. The sensitivity of the spin observables of these reactions to modifications of the nucleon and meson properties is studied using the Bonn one-boson exchange model of the nucleon-nucleon interaction. A method proposed to extract the pp analysing power in medium from the (p, 2 p) asymmetries indicates a reduction of this quantity compared to its free space value. This reduction is linked to modifications of masses and coupling constants of the nucleons and mesons in the nucleus. The implications of these modifications for another spin observable to be measured in the future are discussed. (author). 39 refs, 9 figs.

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

International Nuclear Information System (INIS)

Dieter, F.

1998-01-01

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

Spin-rotation and NMR shielding constants in HCl

Energy Technology Data Exchange (ETDEWEB)

Jaszuński, Michał, E-mail: michal.jaszunski@icho.edu.pl [Institute of Organic Chemistry, Polish Academy of Sciences, 01-224 Warszawa, Kasprzaka 44 (Poland); Repisky, Michal; Demissie, Taye B.; Komorovsky, Stanislav; Malkin, Elena; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, University of Tromsø—The Arctic University of Norway, N-9037 Tromsø (Norway); Garbacz, Piotr; Jackowski, Karol; Makulski, Włodzimierz [Laboratory of NMR Spectroscopy, Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland)

2013-12-21

The spin-rotation and nuclear magnetic shielding constants are analysed for both nuclei in the HCl molecule. Nonrelativistic ab initio calculations at the CCSD(T) level of approximation show that it is essential to include relativistic effects to obtain spin-rotation constants consistent with accurate experimental data. Our best estimates for the spin-rotation constants of {sup 1}H{sup 35}Cl are C{sub Cl}  = −53.914 kHz and C{sub H}  = 42.672 kHz (for the lowest rovibrational level). For the chlorine shielding constant, the ab initio value computed including the relativistic corrections, σ(Cl) = 976.202 ppm, provides a new absolute shielding scale; for hydrogen we find σ(H) = 31.403 ppm (both at 300 K). Combining the theoretical results with our new gas-phase NMR experimental data allows us to improve the accuracy of the magnetic dipole moments of both chlorine isotopes. For the hydrogen shielding constant, including relativistic effects yields better agreement between experimental and computed values.

Spin-rotation and NMR shielding constants in HCl

International Nuclear Information System (INIS)

Jaszuński, Michał; Repisky, Michal; Demissie, Taye B.; Komorovsky, Stanislav; Malkin, Elena; Ruud, Kenneth; Garbacz, Piotr; Jackowski, Karol; Makulski, Włodzimierz

2013-01-01

The spin-rotation and nuclear magnetic shielding constants are analysed for both nuclei in the HCl molecule. Nonrelativistic ab initio calculations at the CCSD(T) level of approximation show that it is essential to include relativistic effects to obtain spin-rotation constants consistent with accurate experimental data. Our best estimates for the spin-rotation constants of 1 H 35 Cl are C Cl   = −53.914 kHz and C H   = 42.672 kHz (for the lowest rovibrational level). For the chlorine shielding constant, the ab initio value computed including the relativistic corrections, σ(Cl) = 976.202 ppm, provides a new absolute shielding scale; for hydrogen we find σ(H) = 31.403 ppm (both at 300 K). Combining the theoretical results with our new gas-phase NMR experimental data allows us to improve the accuracy of the magnetic dipole moments of both chlorine isotopes. For the hydrogen shielding constant, including relativistic effects yields better agreement between experimental and computed values

Structural characterization of supramolecular assemblies by {sup 13}C spin dilution and 3D solid-state NMR

Energy Technology Data Exchange (ETDEWEB)

Habenstein, Birgit; Loquet, Antoine; Giller, Karin; Becker, Stefan; Lange, Adam, E-mail: adla@nmr.mpibpc.mpg.de [Max Planck Institute for Biophysical Chemistry, Department of NMR-based Structural Biology (Germany)

2013-01-15

{sup 13}C spin diluted protein samples can be produced using [1-{sup 13}C] and [2-{sup 13}C]-glucose (Glc) carbon sources in the bacterial growth medium. The {sup 13}C spin dilution results in favorable {sup 13}C spectral resolution and polarization transfer behavior. We recently reported the combined use of [1-{sup 13}C]- and [2-{sup 13}C]-Glc labeling to facilitate the structural analysis of insoluble and non-crystalline biological systems by solid-state NMR (ssNMR), including sequential assignment, detection of long-range contacts and structure determination of macromolecular assemblies. In solution NMR the beneficial properties of sparsely labeled samples using [2-{sup 13}C]-glycerol ({sup 13}C labeled C{alpha} sites on a {sup 12}C diluted background) have recently been exploited to provide a bi-directional assignment method (Takeuchi et al. in J Biomol NMR 49(1):17-26, 2011 ). Inspired by this approach and our own recent results using [2-{sup 13}C]-Glc as carbon sources for the simplification of ssNMR spectra, we present a strategy for a bi-directional sequential assignment of solid-state NMR resonances and additionally the detection of long-range contacts using the combination of {sup 13}C spin dilution and 3D NMR spectroscopy. We illustrate our results with the sequential assignment and the collection of distance restraints on an insoluble and non-crystalline supramolecular assembly, the Salmonella typhimurium type III secretion system needle.

Constraints on long-range spin-gravity and monopole-dipole couplings of the proton

Science.gov (United States)

Jackson Kimball, Derek F.; Dudley, Jordan; Li, Yan; Patel, Dilan; Valdez, Julian

2017-10-01

Results of a search for a long-range monopole-dipole coupling between the mass of the Earth and rubidium (Rb) nuclear spins are reported. The experiment simultaneously measures the spin precession frequencies of overlapping ensembles of 85Rb and 87Rb atoms contained within an evacuated, antirelaxation-coated vapor cell. The nuclear structure of the Rb isotopes makes the experiment particularly sensitive to spin-dependent interactions of the proton. The spin-dependent component of the gravitational energy of the proton in the Earth's field is found to be smaller than 3 ×10-18 eV , improving laboratory constraints on long-range monopole-dipole interactions by over 3 orders of magnitude.

The spin of the proton and the axial anomaly

International Nuclear Information System (INIS)

Hatsuda, T.; Zahed, I.

1989-01-01

We show that a consistent treatment of the abelian axial anomaly in a two-phase model of the proton yields a flavor singlet axial current that is saturated by the anomaly at Q 2 =0 in the chiral limit. This result suggests that at Q 2 =0 the matrix element of the flavor singlet axial current in a polarized proton state is small while the proton spin is still one-half. Modulo the QCD evolution equation, this result is in fair agreement with the recent EMC data. (orig.)

Use of acetimidation in the NMR identification of neurophysin lysine protons

International Nuclear Information System (INIS)

Sardana, V.; Breslow, E.

1986-01-01

Acetimidation of the two lysine residues of neurophysin (NP) results in localized changes in the proton magnetic resonance spectrum, allowing identification of lysine side-chain resonances. Neither peptide-binding nor protein self-association appeared to be significantly altered by acetimidation. Additionally, no significant effect of either peptide-binding or self-association on lysine epsilon-CH 2 protons was seen. However, dimerization-induced NMR changes in the 1.6-1.8 ppm region, associated with lysine β,γ,σ protons, were altered in the acetimidated protein. In particular, while the spectrum of the acetimidated NP monomer was almost identical to that of the native protein, a shoulder at 1.72 ppm in the native protein dimer was shifted upfield in the modified dimer. Additionally the direction of NMR shifts in the 1.6-1.8 ppm region normally associated with peptide binding to the NP dimer appeared to be reversed in the acetimidated protein. Binding-induced and dimerization-induced changes in all other regions of the spectrum were identical in the native and modified proteins. These results suggest that one or both NP lysine residues may be near the dimer subunit interface and indicate an effect of peptide-binding on lysine side-chain environment

High-resolution, high-sensitivity NMR of nano-litre anisotropic samples by coil spinning

Energy Technology Data Exchange (ETDEWEB)

Sakellariou, D [CEA Saclay, DSM, DRECAM, SCM, Lab Struct and Dynam Resonance Magnet, CNRS URA 331, F-91191 Gif Sur Yvette, (France); Le Goff, G; Jacquinot, J F [CEA Saclay, DSM, DRECAM, SPEC: Serv Phys Etat Condense, CNRS URA 2464, F-91191 Gif Sur Yvette, (France)

2007-07-01

Nuclear magnetic resonance (NMR) can probe the local structure and dynamic properties of liquids and solids, making it one of the most powerful and versatile analytical methods available today. However, its intrinsically low sensitivity precludes NMR analysis of very small samples - as frequently used when studying isotopically labelled biological molecules or advanced materials, or as preferred when conducting high-throughput screening of biological samples or 'lab-on-a-chip' studies. The sensitivity of NMR has been improved by using static micro-coils, alternative detection schemes and pre-polarization approaches. But these strategies cannot be easily used in NMR experiments involving the fast sample spinning essential for obtaining well-resolved spectra from non-liquid samples. Here we demonstrate that inductive coupling allows wireless transmission of radio-frequency pulses and the reception of NMR signals under fast spinning of both detector coil and sample. This enables NMR measurements characterized by an optimal filling factor, very high radio-frequency field amplitudes and enhanced sensitivity that increases with decreasing sample volume. Signals obtained for nano-litre-sized samples of organic powders and biological tissue increase by almost one order of magnitude (or, equivalently, are acquired two orders of magnitude faster), compared to standard NMR measurements. Our approach also offers optimal sensitivity when studying samples that need to be confined inside multiple safety barriers, such as radioactive materials. In principle, the co-rotation of a micrometer-sized detector coil with the sample and the use of inductive coupling (techniques that are at the heart of our method) should enable highly sensitive NMR measurements on any mass-limited sample that requires fast mechanical rotation to obtain well-resolved spectra. The method is easy to implement on a commercial NMR set-up and exhibits improved performance with miniaturization, and we

Analytical evidence for the absence of spin glass transition on self-dual lattices

International Nuclear Information System (INIS)

Ohzeki, Masayuki; Nishimori, Hidetoshi

2009-01-01

We show strong evidence for the absence of a finite-temperature spin glass transition for the random-bond Ising model on self-dual lattices. The analysis is performed by an application of duality relations, which enables us to derive a precise but approximate location of the multicritical point on the Nishimori line. This method can be systematically improved to presumably give the exact result asymptotically. The duality analysis, in conjunction with the relationship between the multicritical point and the spin glass transition point for the symmetric distribution function of randomness, leads to the conclusion of the absence of a finite-temperature spin glass transition for the case of symmetric distribution. The result is applicable to the random-bond Ising model with ±J or Gaussian distribution and the Potts gauge glass on the square, triangular and hexagonal lattices as well as the random three-body Ising model on the triangular and the Union-Jack lattices and the four-dimensional random plaquette gauge model. This conclusion is exact provided that the replica method is valid and the asymptotic limit of the duality analysis yields the exact location of the multicritical point. (fast track communication)

NMR investigation of spin flip in TmCrO3

International Nuclear Information System (INIS)

Karnachev, A.S.; Klechin, Yu.I.; Kovtun, N.M.; Moskvin, A.S.; Solov'ev, E.E.; Tkachenko, A.A.

1987-01-01

Spin flip in the rare earth orthochromate TmCrO 3 is studied by the double-pulse NMR technique. It is shown that below 5.6 K spin flip in the absence of an external magnetic field takes place as a first order phase transition from the high temperature phase Γ 2 to the low temperature phase Γ 4 with a region of coexistence of the two phases of more than 3.8 K. The spin flip phase transitions Γ 2 ↔ Γ 4 induced by an external magnetic field and the attendant phenomenon of magnetic and electric nonequivalence of 53 Cr nuclei from different magnetic sublattices are investigated. The anisotropy parameters of the hyperfine interactions and nuclear quadrupole interactions are calculated on the basis of the experimental data

On the difference between proton and neutron spin-orbit splittings in nuclei

International Nuclear Information System (INIS)

Isakov, V.I.; Erokhina, K.I.; Mach, H.; Sanchez-Vega, M.; Fogelberg, B.

2002-01-01

The latest experimental data on nuclei at 132 Sn permit us for the first time to determine the spin-orbit splittings of neutrons and protons in identical orbits in this neutron-rich doubly magic region and compare the case to that of 208 Pb. Using the new results, which are now consistent for the two neutron-rich doubly magic regions, a theoretical analysis defines the isotopic dependence of the mean-field spin-orbit potential and leads to a simple explicit expression for the difference between the spin-orbit splittings of neutrons and protons. The isotopic dependence is explained in the framework of different theoretical approaches. (orig.)

Direct calculation of the spin stiffness on square, triangular and cubic lattices using the coupled cluster method

OpenAIRE

Krüger, S. E.; Darradi, R.; Richter, J.; Farnell, D. J. J

2006-01-01

We present a method for the direct calculation of the spin stiffness by means of the coupled cluster method. For the spin-half Heisenberg antiferromagnet on the square, the triangular and the cubic lattices we calculate the stiffness in high orders of approximation. For the square and the cubic lattices our results are in very good agreement with the best results available in the literature. For the triangular lattice our result is more precise than any other result obtained so far by other a...

Proton location in metal hydrides using electron spin resonance

International Nuclear Information System (INIS)

Venturini, E.L.

1979-01-01

Electron spin resonance (ESR) of dilute paramagnetic ions establishes the site symmetry of these ions. In the case of metal hydrides the site symmetry is determined by the number and location of neighboring protons. Typical ESR spectra for trivalent erbium in scandium and yttrium hydrides are presented and analyzed, and this technique is shown to be a versatile microscopic probe of the location, net charge and occupation probability of nearby protons

27Al NMR studies of NpPd5Al2

International Nuclear Information System (INIS)

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

2009-01-01

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

Thermally excited proton spin-flip laser emission in tokamaks

International Nuclear Information System (INIS)

Arunasalam, V.; Greene, G.J.

1993-07-01

Based on statistical thermodynamic fluctuation arguments, it is shown here for the first time that thermally excited spin-flip laser emission from the fusion product protons can occur in large tokamak devices that are entering the reactor regime of operation. Existing experimental data from TFTR supports this conjecture, in the sense that these measurements are in complete agreement with the predictions of the quasilinear theory of the spin-flip laser

Sensitivity enhancement of 13C nuclei in 2D J-resolved NMR spectroscopy using a recycled-flow system

International Nuclear Information System (INIS)

Ha, S.T.K.; Lee, R.W.K.; Wilkins, C.L.

1987-01-01

Recycled-flow nuclear magnetic resonance for sensitivity enhancement in 1/2 spin nuclei has been reported previously, achieving several-fold signal enhancement. The success of the method depends upon premagnetization of nuclei prior to flowing into the detector region, obviating the need for delays following data acquisition to allow spin-lattice relaxation and reduce experiment time. The actual gains of sensitivity enhancement for 13 C- 1 H 2D J-resolved NMR using a recycled-flow method are evaluated. Possible enhancements for two types of J-resolved measurements, namely, one-bond 13 C- 1 H and long range J-resolved spectroscopy, are estimated using a simple Carr-Purcell spin-echo approach to quantify the 13 C signals. The pulse sequence is simply 90 0 -t /sub 1/2/-180 0 -t/sub 1/2/-AT-t/sub d/, where t/sub 1/2/ is half the evolution time, AT is the acquisition time, and t/sub d/ the experiment repetition time. In a static 2D NMR experiment, t/sub d/ usually must be the same order of the longest spin-lattice relaxation time (T 1 ) of nuclei. Quantitative measurements using a recycled-flow system indicate t/dub d/ can be reduced to a fraction of T 1 ; hence significant time savings can be achieved. Time-savings of between 2 and 25 can be anticipated for 2D spectroscopy under flow measurement conditions used in the present study. Other types of 2D NMR spectroscopy (autocorrelation and double quantum NMR) are discussed

Spin-1/2 Heisenberg antiferromagnet on the pyrochlore lattice: An exact diagonalization study

Science.gov (United States)

Chandra, V. Ravi; Sahoo, Jyotisman

2018-04-01

We present exact diagonalization calculations for the spin-1/2 nearest-neighbor antiferromagnet on the pyrochlore lattice. We study a section of the lattice in the [111] direction and analyze the Hamiltonian of the breathing pyrochlore system with two coupling constants J1 and J2 for tetrahedra of different orientations and investigate the evolution of the system from the limit of disconnected tetrahedra (J2=0 ) to a correlated state at J1=J2 . We evaluate the low-energy spectrum, two and four spin correlations, and spin chirality correlations for a system size of up to 36 sites. The model shows a fast decay of spin correlations and we confirm the presence of several singlet excitations below the lowest magnetic excitation. We find chirality correlations near J1=J2 to be small at the length scales available at this system size. Evaluation of dimer-dimer correlations and analysis of the nature of the entanglement of the tetrahedral unit shows that the triplet sector of the tetrahedron contributes significantly to the ground-state entanglement at J1=J2 .

Proton radioactivity at non-collective prolate shape in high spin state of 94Ag

International Nuclear Information System (INIS)

Aggarwal, Mamta

2010-01-01

We predict proton radioactivity and structural transitions in high spin state of an excited exotic nucleus near proton drip line in a theoretical framework and investigate the nature and the consequences of the structural transitions on separation energy as a function of temperature and spin. It reveals that the rotation of the excited exotic nucleus 94 Ag at excitation energies around 6.7 MeV and angular momentum near 21h generates a rarely seen prolate non-collective shape and proton separation energy becomes negative which indicates proton radioactivity in agreement with the experimental results of Mukha et al. for 94 Ag.

Measurement of proton and nitrogen polarization in ammonia and a test of equal spin temperature

CERN Document Server

AUTHOR|(CDS)2067425; Arvidson, A; Badelek, B; Baum, G; Berglund, P; Betev, L; De Botton, N R; Bradamante, Franco; Bradtke, C; Bravar, A; Bültmann, S; Crabb, D; Cranshaw, J; Çuhadar-Dönszelmann, T; Dalla Torre, S; Van Dantzig, R; Derro, B R; Dreshpande, A; Dhawan, S K; Dulya, C M; Dutz, H; Eichblatt, S; Fasching, D; Feinstein, F; Fernández, C; Forthmann, S; Frois, Bernard; Gallas, A; Garzón, J A; Gehring, R; Gilly, H; Giorgi, M A; Görtz, S; Gracia, G; De Groot, N; Grosse-Perdekamp, M; Haft, K; Harmsen, J; Von Harrach, D; Hasegawa, T; Hautle, P; Hayashi, N; Heusch, C A; Horikawa, N; Hughes, V W; Igo, G; Ishimoto, S; Iwata, T; Kabuss, E M; Kageya, T; Karev, A G; Ketel, T; Kiryluk, J; Kiselev, Yu F; Kok, E; Krämer, Dietrich; Kröger, W; Kurek, K; Kyynäräinen, J; Lamanna, M; Landgraf, U; Le Goff, J M; Lehár, F; de Lesquen, A; Lichtenstadt, J; Litmaath, M; Magnon, A; Mallot, G K; Martin, A; Matsuda, T; Mayes, B W; McCarthy, J S; Medved, K S; Meyer, W T; Van Middelkoop, G; Miller, D; Miyachi, Y; Mori, K; Nassalski, J P; Niinikoski, T O; Oberski, J; Ogawa, A; Parks, D P; Pereira da Costa, H D; Perrot-Kunne, F; Peshekhonov, V D; Pinsky, L; Platchkov, S K; Pló, M; Plückthun, M; Polec, J; Pose, D; Postma, H; Pretz, J; Puntaferro, R; Rädel, G; Reicherz, G; Rijllart, A; Rodríguez, M; Rondio, Ewa; Sandacz, A; Savin, I A; Schiavon, R P; Schiller, A; Sichtermann, E P; Simeoni, F; Smirnov, G I; Staude, A; Steinmetz, A; Stiegler, U; Stuhrmann, H B; Tessarotto, F; Tlaczala, W; Tripet, A; Ünel, G; Velasco, M; Vogt, J; Voss, Rüdiger; Whitten, C; Windmolders, R; Wislicki, W; Witzmann, A; Ylöstalo, J; Zanetti, A M; Zaremba, K

1998-01-01

The 1996 data taking of the SMC experiment used polarized protons to measure the spin dependent structure function $g_1$ of the proton. Three liters of solid granular ammonia were irradiated at the Bonn electron linac in order to create the paramagnetic radicals which are needed for polarizing the protons. Proton polarizations of $\\pm(90\\pm2.5)\\,\\%$ were routinely reached. An analysis based on a theoretical line-shape for spin-1 systems with large quadrupolar broadening was developed which allowed the nitrogen polarization in the ammonia to be determined with a 10% relative error. The measured quadrupolar coupling constant of $^{14}$N agrees well with earlier extrapolated values. The polarization of the nitrogen nuclei was measured as a function of the proton polarization in order to provide a test of the equal spin temperature (EST) hypothesis. It was found to be closely valid under the dynamic nuclear polarization conditions with which the protons are polarized. Large deviations from EST could be induced by...

sup 5 sup 9 Co NMR spectroscopy and relaxation in the metamagnetic system Y sub 1 sub - sub x Gd sub x Co sub 3

CERN Document Server

Reis, M S; García, F; Takeuchi, A Y; Guimarães, A P

2000-01-01

We studied the nuclear magnetic resonance (NMR) in intermetallic compounds of the series Y sub 1 sub - sub x Gd sub x Co sub 3. We found spectra exhibiting four lines, corresponding to four magnetic sites of these compounds. However, the number of lines and their widths are strongly dependent on the radiofrequency (RF) power level, a fact that may help to explain some of the discrepancies found in the NMR literature on these compounds. From the dependence of the NMR spectra with the RF power we concluded that the site labeled 18h presents the largest local magnetic anisotropy. No significant changes are observed on the value of the hyperfine fields at each site as a function of the Gd concentration x, and that is explained in terms of the statistical distribution of Gd magnetic ions in the lattice. On the contrary, the spin-lattice and spin-spin relaxation rates, 1/T sub 1 and 1/T sub 2 , measured at each line, are remarkably dependent on the concentration. 1/T sub 2 exhibits a prominent peak at x approx 0.25...

Exploring the Structure of a DNA Hairpin with the Help of NMR Spin-Spin Coupling Constants: An Experimental and Quantum Chemical Investigation

Czech Academy of Sciences Publication Activity Database

Sychrovský, Vladimír; Vacek, Jaroslav; Hobza, Pavel; Žídek, L.; Sklenář, V.; Cremer, D.

2002-01-01

Roč. 106, - (2002), s. 10242-10250 ISSN 1089-5639 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : DNA * help of NMR spin-spin coupling constants * quantum chemical investigation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.765, year: 2002

Application of nonlinear EPR and NMR responses on spin systems in structure and relaxation structures

Energy Technology Data Exchange (ETDEWEB)

Polyakov, A I; Ryabikin, Yu A; Bitenbaev, M M [Inst. of Physics and Technology, Almaty (Kazakhstan)

2004-07-01

Full text: In this work results of investigation of paramagnetic systems (irradiated polymers and crystals, plastic-deformed metals, systems with strong exchange interaction, etc.) by methods of nonlinear relaxation spectroscopy (NRS) are presented. The NRS theoretical grounds were developed in the earlier works. Later the technique was applied successfully to relaxation studies and when analyzing magnetic resonance complicated overlapping spectra. As in course of polymer system irradiation, basically, several type of paramagnetic defects are formed with close values of the g factors, these materials can be used to exemplify NRS capabilities. In this work we use samples of irradiated PMMA copolymers. Analysis of the PMMA spectra shows that several types of paramagnetic defects strongly differing in the spin-lattice relaxation times are formed in irradiated PMMA-based polymer composites. It is found that degradation of the composite physical and engineering characteristics is caused, mainly, by radiation-induced disintegration of macromolecules, following the chain reaction, which can be revealed by occurring lattice radical states. Another portion of work is devoted to NRS application to deterring influence of structural defects (impurity, dislocation, etc.) on variation in times of nuclear spin-lattice relaxation in metal systems. At this stage we managed, for the first time, to separate the distribution functions for spin-lattice relaxation (T{sub l}) and relaxation of nuclear spin dipole-dipole interaction (T{sub d}). It is shown that one can assess an extent of crystal defect by the dependence of T{sub d}=f(c). Also in this work the NRS methods are applied to analyze EPR spectra of polycrystalline solid systems where exchange interaction is strong. It is shown that these systems, as a rule, contain a complete set of spin assemblies having different relaxation times, and the spin assembly distribution over the relaxation time depends on the defect number and

Application of nonlinear EPR and NMR responses on spin systems in structure and relaxation structures

International Nuclear Information System (INIS)

Polyakov, A.I.; Ryabikin, Yu.A.; Bitenbaev, M.M.

2004-01-01

Full text: In this work results of investigation of paramagnetic systems (irradiated polymers and crystals, plastic-deformed metals, systems with strong exchange interaction, etc.) by methods of nonlinear relaxation spectroscopy (NRS) are presented. The NRS theoretical grounds were developed in the earlier works. Later the technique was applied successfully to relaxation studies and when analyzing magnetic resonance complicated overlapping spectra. As in course of polymer system irradiation, basically, several type of paramagnetic defects are formed with close values of the g factors, these materials can be used to exemplify NRS capabilities. In this work we use samples of irradiated PMMA copolymers. Analysis of the PMMA spectra shows that several types of paramagnetic defects strongly differing in the spin-lattice relaxation times are formed in irradiated PMMA-based polymer composites. It is found that degradation of the composite physical and engineering characteristics is caused, mainly, by radiation-induced disintegration of macromolecules, following the chain reaction, which can be revealed by occurring lattice radical states. Another portion of work is devoted to NRS application to deterring influence of structural defects (impurity, dislocation, etc.) on variation in times of nuclear spin-lattice relaxation in metal systems. At this stage we managed, for the first time, to separate the distribution functions for spin-lattice relaxation (T l ) and relaxation of nuclear spin dipole-dipole interaction (T d ). It is shown that one can assess an extent of crystal defect by the dependence of T d =f(c). Also in this work the NRS methods are applied to analyze EPR spectra of polycrystalline solid systems where exchange interaction is strong. It is shown that these systems, as a rule, contain a complete set of spin assemblies having different relaxation times, and the spin assembly distribution over the relaxation time depends on the defect number and type in solid

Detection of individual spin transitions of a single proton confined in a cryogenic Penning trap

Energy Technology Data Exchange (ETDEWEB)

Kracke, Holger

2013-02-27

The presented experiment for the determination of the magnetic moment of the proton is based on the measurement of the ratio of cyclotron frequency and Larmor frequency of a single proton confined in a cryogenic double-Penning trap. In the course of this thesis, the simultaneous non-destructive measurement of two of the three eigenfrequencies of the proton in thermal equilibrium with corresponding detection systems was demonstrated, which reduces the measurement time of the cyclotron frequency by a factor of two. Furthermore, this thesis presents the first detection of individual spin transitions of a single proton, which allows for the determination of the Larmor frequency. The continuous Stern-Gerlach effect is utilized to couple the magnetic moment to the axial mode of the trapped proton by means of a magnetic bottle. Thus, a spin flip causes a jump of the axial frequency, which can be measured non-destructively with highly-sensitive detection systems. However, not only the spin momentum is coupled to the axial motion but also the angular momentum. Thus, the main experimental challenge is the elimination of energy fluctuations in the radial modes in order to maintain spin flip resolution. Due to systematic studies on the stability of the axial frequency and a complete revision of the experimental setup, this goal was achieved. The spin state of the proton can be determined with very high fidelity for the very first time. Thus, this thesis represents an important step towards a high-precision determination of the magnetic moment of the proton.

Diluted Ising spin 1/2 lattice with an arbitrary coordination number

International Nuclear Information System (INIS)

Bach Thanh Cong; El Amraoui, Y.

1993-01-01

A useful representation for the Callen identity in the case of spin 1/2 is introduced by a simple technique. The phase diagrams, percolation problems of the diluted Ising lattice with arbitrary coordination number z are also discussed. (author). 12 refs, 5 figs

Numerical spin tracking in a synchrotron computer code Spink: Examples (RHIC)

International Nuclear Information System (INIS)

Luccio, A.

1995-01-01

In the course of acceleration of polarized protons in a synchrotron, many depolarizing resonances are encountered. They are classified in two categories: Intrinsic resonances that depend on the lattice structure of the ring and arise from the coupling of betatron oscillations with horizontal magnetic fields, and imperfection resonances caused by orbit distortions due to field errors. In general, the spectrum of resonances vs spin tune Gγ(G = 1.7928, the proton gyromagnetic anomaly, and y the proton relativistic energy ratio) for a given lattice tune ν, or vs ν for a given Gγ, contains a multitude of lines with various amplitudes or resonance strengths. The depolarization due to the resonance lines can be studied by numerically tracking protons with spin in a model accelerator. Tracking will allow one to check the strength of resonances, to study the effects of devices like Siberian Snakes, to find safe lattice tune regions where to operate, and finally to study in detail the operation of special devices such as Spin Flippers. A few computer codes exist that calculate resonance strengths E k and perform tracking, for proton and electron machines. Most relevant to our work for the AGS and RHIC machines are the programs Depol and Snake. Depol, calculates the E k 's by Fourier analysis. The input to Depol is the output of a machine model code, such as Synch or Mad, containing all details of the lattice. Snake, does the tracking, starting from a synthetic machine, that contains a certain number of periods, of FODO cells, of Siberian snakes, etc. We believed the complexities of machines like the AGS or RHIC could not be adequately represented by Snake. Then, we decided to write a new code, Spink, that combines some of the features of Depol and Snake. I.E., Spink reads a Mad output like Depol and tracks as Snake does. The structure of the code and examples for RHIC are described in the following

Accelerating proton spin diffusion in perdeuterated proteins at 100 kHz MAS

Energy Technology Data Exchange (ETDEWEB)

Wittmann, Johannes J.; Agarwal, Vipin; Hellwagner, Johannes; Lends, Alons; Cadalbert, Riccardo; Meier, Beat H., E-mail: beme@ethz.ch; Ernst, Matthias, E-mail: maer@ethz.ch [ETH Zurich, Physical Chemistry (Switzerland)

2016-12-15

Fast magic-angle spinning (>60 kHz) has many advantages but makes spin-diffusion-type proton–proton long-range polarization transfer inefficient and highly dependent on chemical-shift offset. Using 100%-HN-[{sup 2}H,{sup 13}C,{sup 15}N]-ubiquitin as a model substance, we quantify the influence of the chemical-shift difference on the spin diffusion between proton spins and compare two experiments which lead to an improved chemical-shift compensation of the transfer: rotating-frame spin diffusion and a new experiment, reverse amplitude-modulated MIRROR. Both approaches enable broadband spin diffusion, but the application of the first variant is limited due to fast spin relaxation in the rotating frame. The reverse MIRROR experiment, in contrast, is a promising candidate for the determination of structurally relevant distance restraints. The applied tailored rf-irradiation schemes allow full control over the range of recoupled chemical shifts and efficiently drive spin diffusion. Here, the relevant relaxation time is the larger longitudinal relaxation time, which leads to a higher signal-to-noise ratio in the spectra.

General framework for studying the dynamics of folded and nonfolded proteins by NMR relaxation spectroscopy and MD simulation

NARCIS (Netherlands)

Prompers, J.J.; Brüschweiler, R.

2002-01-01

A general framework is presented for the interpretation of NMR relaxation data of proteins. The method, termed isotropic reorientational eigenmode dynamics (iRED), relies on a principal component analysis of the isotropically averaged covariance matrix of the lattice functions of the spin

Blends of natural rubber and polyurethane lattices studied by solid-state NMR

International Nuclear Information System (INIS)

Ricardo, Nagila M.P.S.; Franca, Francisco C.F. de; Price, Colin; Heatley, Frank

2001-01-01

Molecular mixing in films formed from a mixture of a polyurethane and natural rubber lattices has been studied using 1 H and 13 C solid-state NMR. The techniques employed include 1 H relaxation measurements, and 13 C cross-polarisation and direct excitation methods. The spectra of the blends were essentially a weighted superposition of the spectra of the individual components, indicating that the polyurethane and rubber remained phase-separated in large domains. (author)

Nuclear magnetic resonance study of hydrogen mobility in LaY2Ni9Hx and CeY2Ni9Hx

International Nuclear Information System (INIS)

Soloninin, A.V.; Buzlukov, A.L.; Skripov, A.V.; Latroche, M.; Paul-Boncour, V.

2009-01-01

In order to investigate the mobility of hydrogen in the ternary compounds LaY 2 Ni 9 and CeY 2 Ni 9 , we have measured the proton nuclear magnetic resonance (NMR) spectra and the proton spin-lattice relaxation rates R 1 for LaY 2 Ni 9 H x (x=0.78 and 10.3) and CeY 2 Ni 9 H x (x=0.79 and 7.2). The measurements have been performed at the resonance frequencies of 14, 23.8 and 90 MHz over the temperature range of 11-404 K. For LaY 2 Ni 9 H x , the behavior of R 1 is consistent with the presence of a considerable contribution due to motionally modulated dipole-dipole interaction between nuclear spins. This contribution can be satisfactorily described in terms of the Bloembergen-Purcell-Pound model with a Gaussian distribution of activation energies for hydrogen diffusion; the value of the average activation energy resulting from such a description for LaY 2 Ni 9 H 10.3 is approximately 0.36 eV. For CeY 2 Ni 9 H x compounds, the measured proton spin-lattice relaxation rates are dominated by the contribution due to the interaction between proton spins and paramagnetic centers over the entire temperature range studied. Only qualitative information on H mobility in these compounds has been obtained from the narrowing of NMR spectra. Possible paths of H diffusion in LaY 2 Ni 9 H x and CeY 2 Ni 9 H x are discussed in terms of the distances between the interstitial sites occupied by hydrogen. - Graphical abstract: The temperature dependences of the proton spin-lattice relaxation rates R 1 measured at 14, 23.8 and 90 MHz for LaY 2 Ni 9 H 10.3 . The frequency-dependent increase in R 1 at T>250 K indicates the onset of the motional contribution to the relaxation rates

/sup 1/H-NMR chemical shift imaging suitable for low field systems

Energy Technology Data Exchange (ETDEWEB)

Yamamoto, Etsuji; Onodera, Takashi; Shiono, Hidemi; Kohno, Hideki

1986-12-01

An echo-time encoding proton NMR chemical shift imaging proposed by Dixon is extended to be applicable to low filed systems. The method utilizes the small phase angle between magnetic vectors of water and lipid protons to decrease the signal decays with spin-spin relaxation. The inevitable phase error caused by the static field inhomogeneity is corrected by using phase images of phantom measured under the same conditions as the actual measurements. The experiments were carried out using CuSO/sub 4/ doped water and vegetable oil at 0.5 T. Two chemical shift images could be clearly resolved with only one scan when the field inhomogeneity was larger than the chemical shift difference.

Study of albumin from beef blood serum in D{sub 2}O solutions; Badanie roztworow albuminy z surowicy wolowej w D{sub 2}O

Energy Technology Data Exchange (ETDEWEB)

Lewandowska, D. [Inst. of Experimental Physics, Gdansk Univ. (Poland); Podoski, T. [Wyzsza Szkola Morska, Gdynia (Poland)

1994-12-31

Molecular dynamics of albumin obtained from beef blood serum have been investigated in heavy water solutions by means of NMR spectra. The chemical shifts as well as spin-lattice relaxation times have been measured. The number of water protons interacting with albumin molecule have been estimated. 9 refs, 2 figs, 3 tabs.

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

2015-04-01

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. POE 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 POE, 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 nuclear polarization (DNP), 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.

Temperature dependence of the NMR spin-lattice relaxation rate for spin-1/2 chains

Science.gov (United States)

Coira, E.; Barmettler, P.; Giamarchi, T.; Kollath, C.

2016-10-01

We use recent developments in the framework of a time-dependent matrix product state method to compute the nuclear magnetic resonance relaxation rate 1 /T1 for spin-1/2 chains under magnetic field and for different Hamiltonians (XXX, XXZ, isotropically dimerized). We compute numerically the temperature dependence of the 1 /T1 . We consider both gapped and gapless phases, and also the proximity of quantum critical points. At temperatures much lower than the typical exchange energy scale, our results are in excellent agreement with analytical results, such as the ones derived from the Tomonaga-Luttinger liquid (TLL) theory and bosonization, which are valid in this regime. We also cover the regime for which the temperature T is comparable to the exchange coupling. In this case analytical theories are not appropriate, but this regime is relevant for various new compounds with exchange couplings in the range of tens of Kelvin. For the gapped phases, either the fully polarized phase for spin chains or the low-magnetic-field phase for the dimerized systems, we find an exponential decrease in Δ /(kBT ) of the relaxation time and can compute the gap Δ . Close to the quantum critical point our results are in good agreement with the scaling behavior based on the existence of free excitations.

Mean fields and self consistent normal ordering of lattice spin and gauge field theories

International Nuclear Information System (INIS)

Ruehl, W.

1986-01-01

Classical Heisenberg spin models on lattices possess mean field theories that are well defined real field theories on finite lattices. These mean field theories can be self consistently normal ordered. This leads to a considerable improvement over standard mean field theory. This concept is carried over to lattice gauge theories. We construct first an appropriate real mean field theory. The equations determining the Gaussian kernel necessary for self-consistent normal ordering of this mean field theory are derived. (orig.)

Mixed spin-3/2 and spin-5/2 Ising system on the Bethe lattice

International Nuclear Information System (INIS)

Albayrak, Erhan; Yigit, Ali

2006-01-01

In order to study the critical behaviors of the half-integer mixed spin-3/2 and spin-5/2 Blume-Capel Ising ferrimagnetic system, we have used the exact recursion relations on the Bethe lattice. The system was studied for the coordination numbers with q=3, 4, 5 and 6, and the obtained phase diagrams are illustrated on the (kT c /|J|,D A /|J|) plane for constant values of D B /|J|, the reduced crystal field of the sublattice with spin-5/2, and on the (kT c /|J|,D B /|J|) plane for constant values of D A /|J|, the reduced crystal field of the sublattice with spin-3/2, for q=3 only, since the cases corresponding to q=4, 5 and 6 reproduce results similar to the case for q=3. In addition we have also presented the phase diagram with equal strengths of the crystal fields for q=3, 4, 5 and 6. Besides the second- and first-order phase transitions, the system also exhibits compensation temperatures for appropriate values of the crystal fields. In this mixed spin system while the second-order phase transition lines never cut the reduced crystal field axes as in the single spin type spin-3/2 and spin-5/2 Ising models separately, the first-order phase transition lines never connect to the second-order phase transition lines and they end at the critical points, therefore the system does not give any tricritical points. In addition to this, this mixed-spin model exhibits one or two compensation temperatures depending on the values of the crystal fields, as a result the compensation temperature lines show reentrant behavior

NMR magnetization exchange dynamics for three spin-1/2 systems

International Nuclear Information System (INIS)

Demco, D.E.; Filip, X.; Filip, C.

1997-01-01

The magnetization exchange dynamics in one-dimensional NMR exchange experiments performed with static samples is analyzed for the relevant case of three spin systems. The magnetization decays recorded in the experiments performed with different chemical shift filters for the short mixing times are derived analytically. In this regime the decay rates depend on the dipolar coupling between the spins belonging to different functional groups. The predictions of the theoretical model are compared with the magnetization exchange data obtained for cross-linked poly(styrene-co-butadiene) samples. The residual dipolar coupling between the functional CH- and CH2-groups of butadiene are measured from the magnetization exchange experiments in the short mixing time regime. (authors)

Measurements of spin-lattice relaxation time in mixed alkali halide crystals

International Nuclear Information System (INIS)

Tannus, A.

1983-01-01

Using magneto-optic techniques the ground state spin-lattice relaxation times (T1) of 'F' centers in mixed Alkali Halide cristals (KCl-KBr), was studied. A computer assisted system to optically measure short relaxation times (approx. = 1mS), was described. The technique is based on the measurement of the Magnetic Circular Dicroism (MCD) presented by F centers. The T1 magnetic field dependency at 2 K (up to 65 KGauss), was obtained as well as the MCD spectra for different relative concentration at the mixed matrices. The theory developed by Panepucci and Mollenauer for F centers spin-lattice relaxation in pure matrices was modified to explain the behaviour of T1 in mixed cristals. The Direct Process results (T approx. = 2.0 K) compared against that theory shows that the main relaxation mecanism, up to 25 KGauss, continues to be phonon modulation of the hiperfine iteraction between F electrons and surrounding nuclei. (Author) [pt

The spin dependent structure function g1 of the deuteron and the proton

International Nuclear Information System (INIS)

Klostermann, L.

1995-01-01

This thesis presents a study on the spin structure of the nucleon, via deep inelastic scattering (DIS) of polarised nuons on polarised proton and deuterium targets. The work was done in the Spin Muon Collaboration (SMC) at CERN in Geneva. From the asymmetry in the scattering cross section for nucleon and lepton spins parallel and anti-parallel, one con determine the spin dependent structure function g 1 , which contains information on the quark and gluon spin distribution functions. The interpretation in the frame work of the quark parton model (QPM) of earlier results on g 1 p by the European Muon Collaboration (EMC), gave an indication that only a small fraction of the proton spin, compatible with zero, is carried by the spins of the constituent quarks. The SMC was set up to check this unexpected result with improved accuracy, and to combine measurements of g 1 p and g 1 d to test a fundamental sum rule in quantum chromodynamics (QCD), the Bjorken sum rule. (orig./WL)

Nuclear spin phonon relaxation by Raman process in Na{sub 3}H(SO{sub 4}){sub 2} single crystals with the electric-quadrupole-type interaction using {sup 1}H and {sup 23}Na NMR

Energy Technology Data Exchange (ETDEWEB)

Lim, Ae Ran [Department of Science Education, Jeonju University, Jeonju 560-759, Chonbuk (Korea, Republic of)], E-mail: aeranlim@hanmail.net; Shin, Chang Woo [Solid State Analysis Team, Korea Basic Science Institute, Daegu 702-701 (Korea, Republic of)

2008-11-30

Successive phase transitions in a Na{sub 3}H(SO{sub 4}){sub 2} single crystal were found at 296, 513, and 533 K. To investigate the mechanism of the phase transition at 296 K, the {sup 1}H and {sup 23}Na spin-lattice relaxation time and the spin-spin relaxation time of Na{sub 3}H(SO{sub 4}){sub 2} were measured near the phase transition temperature using a FT NMR spectrometer. The spin-lattice relaxation time, T{sub 1}, for {sup 1}H in Na{sub 3}H(SO{sub 4}){sub 2} crystals exhibits a minimum below T{sub C1} (=296 K) indicating the presence of distinct molecular motion governed by the Bloembergen-Purcell-Pound (BPP) theory. Although the results for the {sup 1}H and {sup 23}Na relaxation times provide no evidence of the phase transition at T{sub C1}, the separation of the {sup 23}Na resonance lines changes abruptly at T{sub C1}. The phase transition at 296 K produces a change in the separation of the Na resonance line that is associated with a change in the atomic positions in the vicinity of the Na ions. Also, the nuclear spin-lattice relaxation process in Na{sub 3}H(SO{sub 4}){sub 2} crystals with the electric-quadrupole-type interaction proceed via Raman process. These results are compared with those obtained for other M{sub 3}H(SO{sub 4}){sub 2} (M=K, Rb, and Cs) crystals, which have similar hydrogen-bonded structures.

Analytic treatment of nuclear spin-lattice relaxation for diffusion in a cone model

Science.gov (United States)

Sitnitsky, A. E.

2011-12-01

We consider nuclear spin-lattice relaxation rate resulted from a diffusion equation for rotational wobbling in a cone. We show that the widespread point of view that there are no analytical expressions for correlation functions for wobbling in a cone model is invalid and prove that nuclear spin-lattice relaxation in this model is exactly tractable and amenable to full analytical description. The mechanism of relaxation is assumed to be due to dipole-dipole interaction of nuclear spins and is treated within the framework of the standard Bloemberger, Purcell, Pound-Solomon scheme. We consider the general case of arbitrary orientation of the cone axis relative the magnetic field. The BPP-Solomon scheme is shown to remain valid for systems with the distribution of the cone axes depending only on the tilt relative the magnetic field but otherwise being isotropic. We consider the case of random isotropic orientation of cone axes relative the magnetic field taking place in powders. Also we consider the cases of their predominant orientation along or opposite the magnetic field and that of their predominant orientation transverse to the magnetic field which may be relevant for, e.g., liquid crystals. Besides we treat in details the model case of the cone axis directed along the magnetic field. The latter provides direct comparison of the limiting case of our formulas with the textbook formulas for free isotropic rotational diffusion. The dependence of the spin-lattice relaxation rate on the cone half-width yields results similar to those predicted by the model-free approach.

Spin observables in inelastic proton-nucleus scattering at intermediate energy

International Nuclear Information System (INIS)

Smith, R.D.

1984-01-01

This dissertation is a study of spin observables in inelastic proton-nucleus reactions for incident proton energies near 1 GeV. At this energy, the dominant reaction mechanisms are (1) quasi-free knockout of one or more nucleons, and (2) pion production through the Δ resonance. The cross section due to quasi-free knockout can be reasonably well understood theoretically in a multiple scattering picture, which uses measured NN amplitudes as input. Calculations of this sort were carried out in reference [10] using scalar NN amplitudes parameterized as Gaussians. The author has extended this picture to include spin dependent NN amplitudes. This allows calculation of all the spin observables, Ay, DLL, DSS, DNN, DLS, and DSL, as well as the cross section dsigma/dOmegadp due to quasi-free knockout of one or more particles. The cross section and polarization Ay have been measured at the LAMPF High Resolution Spectrometer at T/sub L/ = 800 MeV on 12 C. The theoretical results agree well with the data in the quasi-free region. The results for the remaining spin observables provide predictions for experiments which can be performed at LAMPF. By comparing the calculations with the data, it may be possible to separate the contribution due to a quasi-free knockout, and see a signature of quasi-free Δ production in the spin observables

NMR spectroscopy of organic compounds of selenium and tellurium. Communication 8. Constants of spin-spin interaction of /sup 125/Te-/sup 1/o/sup 3/C in nmr spectra of unsaturated organtellurides

Energy Technology Data Exchange (ETDEWEB)

Kalabin, G.A.; Kushnarev, D.F.; Valeev, R.B. (Irkutskij Gosudarstvennyj Univ. (USSR))

1981-06-01

On the basis of /sup 13/C NMR spectra of a series of unsaturated and aromatic tellurium compounds the constants of spin-spin interaction (SSIC) (sup(1.2)J(Te, C)) are measured. A reliable linear relation between /sup 1/J(Te, C) and s-character of a carbon orbitale forming bond with tellurium is found. Correlation of straight SSIC of carbon with selenium and tellurium in isological compounds is established.

Synthesis and proton-NMR studies of oligonucleotides containing an apurinic (AP) site

International Nuclear Information System (INIS)

Raap, J.; Dreef, C.E.; van der Marel, G.A.; van Boom, J.H.; Hilbers, C.W.

1987-01-01

In order to elucidate the conformational properties of base-deleted oligodeoxyribonucleotides, the molecules d-CpS(pCpG)n (n = 1,2; S = sugar) were synthesized by the phosphotriester method and characterized by 1H-NMR spectroscopy. Complete assignment of all non-exchangeable proton resonances of both compounds was obtained by 1D- and 2D-NMR techniques. In combination with computer simulation, these spectra yielded proton-proton and proton-phosphorus coupling constants of high accuracy. These data provide valuable information about the sugar and the backbone conformation. It appears that d-Cp1Sp2Cp3G4 does not form a duplex under any of the conditions studied. On the contrary, the base-deleted hexamer d-Cp1Sp2Cp3Gp4Cp5G6 occurs as a right-handed' staggered' DNA duplex at 280 K: the core of this duplex is formed by the residues C(3)-G(6); two 'dangling' residues C(1) and S(2) are located at the two 5'-ends of the duplex. The assignment of the corresponding imino proton resonances for [d-CpS(pCpG)2]2 was based on their thermal behavior: the line broadening of these resonances was studied as a function of temperature. The chemical shift and the number of imino proton resonances accord well with the number and type of Watson-Crick base pairs which can be formed in the staggered duplex described above. Thermodynamic parameters of duplex formation were obtained from an analysis of the chemical shift versus temperature profiles of aromatic base and H-1' protons. It is suggested that the cytosine ring of C(1) stacks, at least part of the time, with the guanine ring on the nucleotide residue, G(6), situated in the complementary strand. The binding of Lys-Trp-Lys to [d-CpS(pCpG)2]2 as well as to [d-CpGpCpG]1 was investigated

In vivo NMR imaging of sodium-23 in the human head.

Science.gov (United States)

Hilal, S K; Maudsley, A A; Ra, J B; Simon, H E; Roschmann, P; Wittekoek, S; Cho, Z H; Mun, S K

1985-01-01

We report the first clinical nuclear magnetic resonance (NMR) images of cerebral sodium distribution in normal volunteers and in patients with a variety of pathological lesions. We have used a 1.5 T NMR magnet system. When compared with proton distribution, sodium shows a greater variation in its concentration from tissue to tissue and from normal to pathological conditions. Image contrast calculated on the basis of sodium concentration is 7 to 18 times greater than that of proton spin density. Normal images emphasize the extracellular compartments. In the clinical studies, areas of recent or old cerebral infarction and tumors show a pronounced increase of sodium content (300-400%). Actual measurements of image density values indicate that there is probably a further accentuation of the contrast by the increased "NMR visibility" of sodium in infarcted tissue. Sodium imaging may prove to be a more sensitive means for early detection of some brain disorders than other imaging methods.

121Sb-NMR study of filled skutterudite CeOs4Sb12

International Nuclear Information System (INIS)

Yogi, M.; Niki, H.; Mukuda, H.; Kitaoka, Y.; Sugawara, H.; Sato, H.

2007-01-01

121 Sb nuclear magnetic resonance (NMR) of filled skutterudite compound CeOs 4 Sb 12 has been carried out to investigate a spin fluctuation below T∼25K. In spite of a powdered sample, many sharp peaks, similar to a data for single crystal, were observed because of an orientation of the sample from the anisotropy of the magnetization. A numerical calculation well reproduces resonance fields for Sb(1) sites with H parallel V zz . The nuclear spin-lattice relaxation rate divided by temperature 1/T 1 T shows continuous decrease with increasing magnetic field, indicating a suppression of the spin fluctuation by the field

Proton and carbon-13 nuclear magnetic resonance studies of the effects of retinal on the dynamic structure and stability of lipid bilayer

International Nuclear Information System (INIS)

Inoue, Yoshio; Hanafusa, Yoshito; Toda, Masakazu; Chujo, Riichiro

1982-01-01

The effects of retinal and vitamin A on the dynamic structure and stability of hen egg yolk lecithin bilayers have been studied by means of carbon-13 and proton NMR spectroscopies. 13 C spin-lattice relaxation and paramagnetic ion permeability studies on lecithin bilayers indicate a marked decrease in flexibility of the lipid acyl chain and a breakdown of membrane impermeableness to ion by the intercalated all-trans- and 11-cis-retinal, whereas the effect of incorporated vitamin A on the fluidity of bilayers is small and its impermeableness to ion remains effective even in the presence of higher concentration of vitamin A. The experimental results are discussed in connection with the mechanism of the permeability change in photoreceptive disk membrane. (author)

Scientific articles of the RBRC/CCAST Symposium on Spin Physics Lattice QCD and RHIC Physics

International Nuclear Information System (INIS)

2003-01-01

This volume comprises scientific articles of the symposium on spin physics, lattice QCD and RHIC physics organized by RIKEN BNL research center (RBRC) and China center of advanced science and technology (CCAST). The talks were discussing the spin structure of nucleons and other problems of RHIC physics

Chiral phase from three-spin interactions in an optical lattice

International Nuclear Information System (INIS)

D'Cruz, Christian; Pachos, Jiannis K.

2005-01-01

A spin-1/2 chain model that includes three-spin interactions can effectively describe the dynamics of two species of bosons trapped in an optical lattice with a triangular-ladder configuration. A perturbative theoretical approach and numerical study of its ground state is performed that reveals a rich variety of phases and criticalities. We identify phases with periodicity one, two, or three, as well as critical points that belong in the same universality class as the Ising or the three-state Potts model. We establish a range of parameters, corresponding to a large degeneracy present between phases with period 2 and 3, that nests a gapless incommensurate chiral phase

Study on proton spin flip in scattering by Ti and Fe nuclei

International Nuclear Information System (INIS)

Korbetskij, E.V.; Prokopenko, V.S.; Sklyarenko, V.D.; Chernievskij, V.K.; Shustov, A.V.

1981-01-01

Spin-orbital effects and mechanisms of inelastic scattering of protons with energy of 6.9 MeV by sup(14, 48)Ti and sup(54, 56, 58)Fe are studied by the analysis of experimental results within the framework of the method of coupled channels. Simultaneously angular dependences of cross sections of elastic and inelastic (two first 2 + levels) scatterings and a probability of spin flip of proton at inelastic scattering are analysed. Experimental data were used for analysis, obtained in the given work, as well as the data published earlier. Targets are used in experiment which are in the form of self-sustaining fine (1-2 mg cm -2 ) films, enriched with corresponding isotope. Cross section determination error is 8% in the average. Obtained angular dependences of spin flip probability for sup(54, 56)Fe at Esub(p)=6.9 MeV are very similar in form and close in value to analogous at Esub(p)= 6 MeV, and differ greatly for 56 Fe at Esub(p)=5.88 MeV. Angular distributions of spin flip probabilities of protons from sup(54, 56)Fe (ppsub(1)) reaction at energies of 10, 11 and 12 MeV show the sufficient energy dependence of their shape and value. Experimental data are described satisfactorily witohin the framework of the cupled channel method namely - differential cross sections of elastic and inelastic scattering and angular dependences of the probability of spin flip at the interaction of protons with 6.9 MeV energy with sup(46, 48)Ti and sup(54, 56, 58)Fe nuclei. Difficulties, appearing in the description of cross sections of elastic scattering in case of sup(46, 48)Ti and of inelastic one for 56 Fe show that indirect processes are of importance in the present energy range and they should be taken into consideration [ru

Spin dynamics in a molecular ferrimagnetic ring, [Mn(hfac)2NITPh]6

International Nuclear Information System (INIS)

Itou, T.; Funahashi, S.; Oyamada, A.; Maegawa, S.; Fujita, K.; Amezawa, K.; Yamaguchi, R.

2007-01-01

We studied the spin dynamics of a ferrimagnetic ring [Mn(hfac) 2 NITPh] 6 with an S=12 ground state by means of H-NMR1 experiments under several fields. The spin-lattice relaxation rate increases monotonically with increasing temperature. This monotonous behavior is not reproduced by the calculation based on the lifetimes of eigenstates caused by the spin-phonon interaction. The relaxation rate is possibly caused by the dispersion resulting from the interaction between the clusters, which is far smaller than the interaction in the cluster but comparable to the nuclear Zeeman energy

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)

Baldock, J.A.; Oades, J.M.

1990-01-01

A soil incubated for 34 days in the absence (control) and presence (treated) of uniformly labelled 13 C-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 13 C n.m.r. (cross polarization/magic angle spinning 13 C 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 13 C 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

1H-NMR and photochemically-induced dynamic nuclear polarization studies on bovine pancreatic phospholipase A2

NARCIS (Netherlands)

Egmond, M.R.; Slotboom, A.J.; Haas, G.H. de; Dijkstra, Klaas; Kaptein, R.

1980-01-01

Proton-NMR resonances of trytophan 3 and tyrosine 69 in bovine pancreatic phospholipase A2, its pro-enzyme and in Ala1-transaminated protein were assigned using photochemically-induced dynamic nuclear polarization (photo-CIDNP) as such or in combination with spin-echo measurements. In addition

Novel NMR tools to study structure and dynamics of biomembranes.

Science.gov (United States)

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

2002-06-01

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

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

International Nuclear Information System (INIS)

Roder, H.; Wuethrich, K.

1986-01-01

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

Progress in proton-detected solid-state NMR (SSNMR): Super-fast 2D SSNMR collection for nano-mole-scale proteins

Science.gov (United States)

Ishii, Yoshitaka; Wickramasinghe, Ayesha; Matsuda, Isamu; Endo, Yuki; Ishii, Yuji; Nishiyama, Yusuke; Nemoto, Takahiro; Kamihara, Takayuki

2018-01-01

Proton-detected solid-state NMR (SSNMR) spectroscopy has attracted much attention due to its excellent sensitivity and effectiveness in the analysis of trace amounts of amyloid proteins and other important biological systems. In this perspective article, we present the recent sensitivity limit of 1H-detected SSNMR using "ultra-fast" magic-angle spinning (MAS) at a spinning rate (νR) of 80-100 kHz. It was demonstrated that the high sensitivity of 1H-detected SSNMR at νR of 100 kHz and fast recycling using the paramagnetic-assisted condensed data collection (PACC) approach permitted "super-fast" collection of 1H-detected 2D protein SSNMR. A 1H-detected 2D 1H-15N correlation SSNMR spectrum for ∼27 nmol of a uniformly 13C- and 15N-labeled GB1 protein sample in microcrystalline form was acquired in only 9 s with 50% non-uniform sampling and short recycle delays of 100 ms. Additional data suggests that it is now feasible to detect as little as 1 nmol of the protein in 5.9 h by 1H-detected 2D 1H-15N SSNMR at a nominal signal-to-noise ratio of five. The demonstrated sensitivity is comparable to that of modern solution protein NMR. Moreover, this article summarizes the influence of ultra-fast MAS and 1H-detection on the spectral resolution and sensitivity of protein SSNMR. Recent progress in signal assignment and structural elucidation by 1H-detected protein SSNMR is outlined with both theoretical and experimental aspects.

Proton radioactivity at non-collective prolate shape in high spin state of {sup 94}Ag

Energy Technology Data Exchange (ETDEWEB)

Aggarwal, Mamta, E-mail: mamta.a4@gmail.co [UM-DAE Centre for Excellence in Basic Sciences, University of Mumbai, Kalina Campus, Mumbai 400 098 (India)

2010-10-11

We predict proton radioactivity and structural transitions in high spin state of an excited exotic nucleus near proton drip line in a theoretical framework and investigate the nature and the consequences of the structural transitions on separation energy as a function of temperature and spin. It reveals that the rotation of the excited exotic nucleus {sup 94}Ag at excitation energies around 6.7 MeV and angular momentum near 21h generates a rarely seen prolate non-collective shape and proton separation energy becomes negative which indicates proton radioactivity in agreement with the experimental results of Mukha et al. for {sup 94}Ag.

Spin observables in antiproton-proton to AntiLambda-Lambda and density-matrix constraints

OpenAIRE

Elchikh, Mokhtar; Richard, Jean-Marc

2005-01-01

The positivity conditions of the spin density matrix constrain the spin observables of the reaction antiproton-proton to AntiLambda-Lambda, leading to model-independent, non-trivial inequalities. The formalism is briefly presented and examples of inequalities are provided.

Ground-state phases of the spin-1 J1-J2 Heisenberg antiferromagnet on the honeycomb lattice

Science.gov (United States)

Li, P. H. Y.; Bishop, R. F.

2016-06-01

We study the zero-temperature quantum phase diagram of a spin-1 Heisenberg antiferromagnet on the honeycomb lattice with both nearest-neighbor exchange coupling J1>0 and frustrating next-nearest-neighbor coupling J2≡κ J1>0 , using the coupled cluster method implemented to high orders of approximation, and based on model states with different forms of classical magnetic order. For each we calculate directly in the bulk thermodynamic limit both ground-state low-energy parameters (including the energy per spin, magnetic order parameter, spin stiffness coefficient, and zero-field uniform transverse magnetic susceptibility) and their generalized susceptibilities to various forms of valence-bond crystalline (VBC) order, as well as the energy gap to the lowest-lying spin-triplet excitation. In the range 0 κc 2=0.340 (5 ) . Two different paramagnetic phases are found to exist in the intermediate region. Over the range κc1<κ<κci=0.305 (5 ) we find a gapless phase with no discernible magnetic order, which is a strong candidate for being a quantum spin liquid, while over the range κci<κ <κc 2 we find a gapped phase, which is most likely a lattice nematic with staggered dimer VBC order that breaks the lattice rotational symmetry.

Degree of Biomimicry of Artificial Spider Silk Spinning Assessed by NMR Spectroscopy.

Science.gov (United States)

Otikovs, Martins; Andersson, Marlene; Jia, Qiupin; Nordling, Kerstin; Meng, Qing; Andreas, Loren B; Pintacuda, Guido; Johansson, Jan; Rising, Anna; Jaudzems, Kristaps

2017-10-02

Biomimetic spinning of artificial spider silk requires that the terminal domains of designed minispidroins undergo specific structural changes in concert with the β-sheet conversion of the repetitive region. Herein, we combine solution and solid-state NMR methods to probe domain-specific structural changes in the NT2RepCT minispidroin, which allows us to assess the degree of biomimicry of artificial silk spinning. In addition, we show that the structural effects of post-spinning procedures can be examined. By studying the impact of NT2RepCT fiber drying, we observed a reversible beta-to-alpha conversion. We think that this approach will be useful for guiding the optimization of artificial spider silk fibers. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structural and dynamical characterization of piroxicam by 1H- and 13C-NMR relaxation studies

International Nuclear Information System (INIS)

Rossi, C.; Casini, A.; Picchi, M.P.; Laschi, F.; Calabria, A.; Marcolongo, R.

1987-01-01

Carbon spin-lattice relaxation rates of anti-inflammatory drug, piroxicam, have been measured. These results have been used in determining the reorientational rates of the proton carbon vectors. An analysis of internal motions within the pyridinyl moiety of piroxicam was carried out. Selective proton-carbon nuclear Overhauser effect (NOE) measurements were made in order to determine the solution structure of piroxicam. The effect of indirect NOE arising from exchangeable protons has been analyzed and considered. 20 refs.; 4 figs.; 3 tabs

Ground-state properties of K-isotopes from laser and $\\beta$-NMR spectroscopy

CERN Multimedia

Lievens, P; Rajabali, M M; Krieger, A R

By combining high-resolution laser spectroscopy with $\\beta$-NMR spectroscopy on polarized K-beams we aim to establish the ground-state spins and magnetic moments of the neutron-rich $^{48,49,50,51}$K isotopes from N=29 to N=32. Spins and magnetic moments of the odd-K isotopes up to N=28 reveal an inversion of the ground-state, from the normal $\\,{I}$=3/2 ($\\pi{d}_{3/2}^{-1}$) in $^{41-45}$K$\\to\\,{I}$=1/2 ($\\pi{s}_{1/2}^{-1}$) in $^{47}$K. This inversion of the proton single particle levels is related to the strong proton $d_{3/2}$ - neutron $f_{7/2}$ interaction which lowers the energy of the $\\pi{d}_{3/2}$ single particle state when filling the $\

Bose-Einstein condensate in an optical lattice with Raman-assisted two-dimensional spin-orbit coupling

Science.gov (United States)

Pan, Jian-Song; Zhang, Wei; Yi, Wei; Guo, Guang-Can

2016-10-01

In a recent experiment (Z. Wu, L. Zhang, W. Sun, X.-T. Xu, B.-Z. Wang, S.-C. Ji, Y. Deng, S. Chen, X.-J. Liu, and J.-W. Pan, arXiv:1511.08170 [cond-mat.quant-gas]), a Raman-assisted two-dimensional spin-orbit coupling has been realized for a Bose-Einstein condensate in an optical lattice potential. In light of this exciting progress, we study in detail key properties of the system. As the Raman lasers inevitably couple atoms to high-lying bands, the behaviors of the system in both the single- and many-particle sectors are significantly affected. In particular, the high-band effects enhance the plane-wave phase and lead to the emergence of "roton" gaps at low Zeeman fields. Furthermore, we identify high-band-induced topological phase boundaries in both the single-particle and the quasiparticle spectra. We then derive an effective two-band model, which captures the high-band physics in the experimentally relevant regime. Our results not only offer valuable insights into the two-dimensional lattice spin-orbit coupling, but also provide a systematic formalism to model high-band effects in lattice systems with Raman-assisted spin-orbit couplings.

Energetic and dynamical instability of spin-orbit coupled Bose-Einstein condensate in a deep optical lattice

Science.gov (United States)

Yu, Zi-Fa; Chai, Xu-Dan; Xue, Ju-Kui

2018-05-01

We investigate the energetic and dynamical instability of spin-orbit coupled Bose-Einstein condensate in a deep optical lattice via a tight-binding model. The stability phase diagram is completely revealed in full parameter space, while the dependence of superfluidity on the dispersion relation is illustrated explicitly. In the absence of spin-orbit coupling, the superfluidity only exists in the center of the Brillouin zone. However, the combination of spin-orbit coupling, Zeeman field, nonlinearity and optical lattice potential can modify the dispersion relation of the system, and change the position of Brillouin zone for generating the superfluidity. Thus, the superfluidity can appear in either the center or the other position of the Brillouin zone. Namely, in the center of the Brillouin zone, the system is either superfluid or Landau unstable, which depends on the momentum of the lowest energy. Therefore, the superfluidity can occur at optional position of the Brillouin zone by elaborating spin-orbit coupling, Zeeman splitting, nonlinearity and optical lattice potential. For the linear case, the system is always dynamically stable, however, the nonlinearity can induce the dynamical instability, and also expand the superfluid region. These predicted results can provide a theoretical evidence for exploring the superfluidity of the system experimentally.

Illuminating "spin-polarized" Bloch wave-function projection from degenerate bands in decomposable centrosymmetric lattices

Science.gov (United States)

Li, Pengke; Appelbaum, Ian

2018-03-01

The combination of space inversion and time-reversal symmetries results in doubly degenerate Bloch states with opposite spin. Many lattices with these symmetries can be constructed by combining a noncentrosymmetric potential (lacking this degeneracy) with its inverted copy. Using simple models, we unravel the evolution of local spin splitting during this process of inversion symmetry restoration, in the presence of spin-orbit interaction and sublattice coupling. Importantly, through an analysis of quantum mechanical commutativity, we examine the difficulty of identifying states that are simultaneously spatially segregated and spin polarized. We also explain how surface-sensitive experimental probes (such as angle-resolved photoemission spectroscopy, or ARPES) of "hidden spin polarization" in layered materials are susceptible to unrelated spin splitting intrinsically induced by broken inversion symmetry at the surface.

Probing the Spin Structure of the Proton Using Polarized Proton-Proton Collisions and the Production of W Bosons

Energy Technology Data Exchange (ETDEWEB)

Beaumier, Michael J. [Univ. of California, Riverside, CA (United States)

2016-08-01

This thesis discusses the process of extracting the longitudinal asymmetry, A$W±\\atop{L}$ describing W → μ production in forward kinematic regimes. This asymmetry is used to constrain our understanding of the polarized parton distribution functions characterizing $\\bar{u}$ and $\\bar{d}$ sea quarks in the proton. This asymmetry will be used to constrain the overall contribution of the sea-quarks to the total proton spin. The asymmetry is evaluated over the pseudorapidity range of the PHENIX Muon Arms, 2.1 < |η| 2.6, for longitudinally polarized proton-proton collisions at 510 GeV √s. In particular, I will discuss the statistical methods used to characterize real muonic W decays and the various background processes is presented, including a discussion of likelihood event selection and the Extended Unbinned Maximum Likelihood t. These statistical methods serve estimate the yields of W muonic decays, which are used to calculate the longitudinal asymmetry.

NMR study of hyper-polarized {sup 129}Xe and applications to liquid-phase NMR experiments; Etude de la resonance magnetique nucleaire du Xenon{sup 129} hyperpolarise et applications en RMN des liquides

Energy Technology Data Exchange (ETDEWEB)

Marion, D

2008-07-15

In liquid samples where both nuclear polarization and spin density are strong, the magnetization dynamics, which can be analysed by NMR (nuclear magnetic resonance) methods, is deeply influenced by the internal couplings induced by local dipolar fields. The present thesis describes some of the many consequences associated to the presence in the sample of concentrated xenon hyper-polarized by an optical pumping process. First, we deal with the induced modifications in frequency and line width of the proton and xenon spectra, then we present the results of SPIDER, a coherent polarization transfer experiment designed to enhance the polarization of protons, in order to increase their NMR signal level. A third part is dedicated to the description of the apparition of repeated chaotic maser emissions by un unstable xenon magnetization coupled to the detection coil tuned at the xenon Larmor frequency (here 138 MHz). In the last part, we present a new method allowing a better tuning of any NMR detection probe and resulting in sensible gains in terms of sensitivity and signal shaping. Finally, we conclude with a partial questioning of the classical relaxation theory in the specific field of highly polarized and concentrated spin systems in a liquid phase. (author)

Magnetic moment of extremely proton-rich nucleus 23Al

International Nuclear Information System (INIS)

Nagatomo, T; Matsuta, K; Ozawa, A; Nakashima, Y; Matsumiya, R; Mihara, M; Yasuno, T; Chiba, A; Yamada, K; Momota; Ohtsubo, T; Ohta, M; Shinojima, D; Izumikawa, T; Tanaka, H; Yamaguchi, T; Nakajima, S; Maemura, H; Muranaka, K; Kumashiro, S; Fujiwara, H; Yoshida, K; Sumikama, T; Tanaka, K; Ogura, M; Minamisono, K; Fukuda, M; Minamisono, T; Nojiri, Y; Suzuki, T; Tanihata, I; Alonso, J R; Krebs, G F; Symons, T J M

2005-01-01

The g-factor of the extremely proton-rich nucleus 23 Al (T 1/2 = 0.47 s) has been measured by means of the β-NMR method for the first time. The g-factor were determined as |g| = 1.557(88) from the obtained NMR spectra. From the comparison between the experimental value and the shell model calculation, the spin parity of the ground state of 23 Al was determined as I π = 5/2 + . Thus, the magnetic moment of 23 Al was determined as vertical bar μvertical bar = 3.89(22)μ N

Unconventional phases in quantum spin and pseudospin systems in two dimensional and three dimensional lattices

Science.gov (United States)

Xu, Cenke

Several examples of quantum spin systems and pseudo spin systems have been studied, and unconventional states of matters and phase transitions have been realized in all these systems under consideration. In the p +/- ip superconductor Josephson lattice and the p--band cold atomic system trapped in optical lattices, novel phases which behave similarly to 1+1 dimensional systems are realized, despite the fact that the real physical systems are in two or three dimensional spaces. For instance, by employing a spin-wave analysis together with a new duality transformation, we establish the existence and stability of a novel gapless "critical phase", which we refer to as a "bond algebraic liquid". This novel critical phase is analogous to the 1+1 dimensional algebraic boson liquid phase. The reason for the novel physics is that there is a quasilocal gauge symmetry in the effective low energy Hamiltonian. In a spin-1 system on the kagome lattice, and a hard-core boson system on the honeycomb lattice, the low energy physics is controlled by two components of compact U(1) gauge symmetries that emerge at low energy. Making use of the confinement nature of the 2+1 dimensional compact gauge theories and the powerful duality between gauge theories and height field theories, the crystalline phase diagrams are studied for both systems, and the transitions to other phases are also considered. These phase diagrams might be accessible in strongly correlated materials, or atomic systems in optical lattices. A novel quantum ground state of matter is realized in a bosonic model on three dimensional fcc lattice with emergent low energy excitations. The novel phase obtained is a stable gapless boson liquid phase, with algebraic boson density correlations. The stability of this phase is protected against the instanton effect and superfluidity by self-duality and large gauge symmetries on both sides of the duality. The gapless collective excitations of this phase closely resemble the

Spin-flipping a stored polarized proton beam with an rf dipole

International Nuclear Information System (INIS)

Blinov, B.B.; Derbenev, Ya.S.; Kageya, T.; Kantsyrev, D.Yu.; Krisch, A.D.; Morozov, V.S.; Sivers, D.W.; Wong, V.K.; Anferov, V.A.; Schwandt, P.; Przewoski, B. von

2000-01-01

Frequent polarization reversals, or spin-flips, of a stored polarized high-energy beam may greatly reduce systematic errors of spin asymmetry measurements in a scattering asymmetry experiment. We studied the spin-flipping of a 120 MeV horizontally-polarized proton beam stored in the IUCF Cooler Ring by ramping an rf-dipole magnet's frequency through an rf-induced depolarizing resonance in the presence of a nearly-full Siberian snake. After optimizing the frequency ramp parameters, we used multiple spin-flips to measure a spin-flip efficiency of 86.5±0.5%. The spin-flip efficiency was apparently limited by the rf-dipole's field strength. This result indicates that an efficient spin-flipping a stored polarized beam should be possible in high energy rings such as RHIC and HERA where Siberian snakes are certainly needed and only dipole rf-flipper-magnets are practical

Enhanced superconducting transition temperature in hyper-interlayer-expanded FeSe despite the suppressed electronic nematic order and spin fluctuations

Science.gov (United States)

Hrovat, Matevž Majcen; Jeglič, Peter; Klanjšek, Martin; Hatakeda, Takehiro; Noji, Takashi; Tanabe, Yoichi; Urata, Takahiro; Huynh, Khuong K.; Koike, Yoji; Tanigaki, Katsumi; Arčon, Denis

2015-09-01

The superconducting critical temperature, Tc, of FeSe can be dramatically enhanced by intercalation of a molecular spacer layer. Here we report on a 77Se,7Li , and 1H nuclear magnetic resonance (NMR) study of the powdered hyper-interlayer-expanded Lix(C2H8N2) yFe2 -zSe2 with a nearly optimal Tc=45 K. The absence of any shift in the 7Li and 1H NMR spectra indicates a complete decoupling of interlayer units from the conduction electrons in FeSe layers, whereas nearly temperature-independent 7Li and 1H spin-lattice relaxation rates are consistent with the non-negligible concentration of Fe impurities present in the insulating interlayer space. On the other hand, the strong temperature dependence of 77Se NMR shift and spin-lattice relaxation rate, 1 /77T1 , is attributed to the holelike bands close to the Fermi energy. 1 /77T1 shows no additional anisotropy that would account for the onset of electronic nematic order down to Tc. Similarly, no enhancement in 1 /77T1 due to the spin fluctuations could be found in the normal state. Yet, a characteristic power-law dependence 1 /77T1∝T4.5 still complies with the Cooper pairing mediated by spin fluctuations.

Dark matter, constrained minimal supersymmetric standard model, and lattice QCD.

Science.gov (United States)

Giedt, Joel; Thomas, Anthony W; Young, Ross D

2009-11-13

Recent lattice measurements have given accurate estimates of the quark condensates in the proton. We use these results to significantly improve the dark matter predictions in benchmark models within the constrained minimal supersymmetric standard model. The predicted spin-independent cross sections are at least an order of magnitude smaller than previously suggested and our results have significant consequences for dark matter searches.

Complete snake and rotator schemes for spin polarization in proton rings and large electron rings

International Nuclear Information System (INIS)

Steffen, K.

1983-11-01

In order to maintain spin polarization in proton rings and large electron rings, some generalized Siberian Snake scheme may be required to make the spin tune almost independent of energy and thus avoid depolarizing resonances. The practical problem of finding such schemes that, at reasonable technical effort, can be made to work over large energy ranges has been addressed before and is here revisited in a broadened view and with added new suggestions. As a result, possibly optimum schemes for electron rings (LEP) and proton rings are described. In the proposed LEP scheme, spin rotation is devised such that, at the interaction points, the spin direction is longitudinal as required for experiments. (orig.)

Polarized and unpolarized nucleon structure functions from lattice QCD

International Nuclear Information System (INIS)

Goeckeler, M.; Technische Hochschule Aachen; Horsley, R.; Humboldt-Universitaet, Berlin; Ilgenfritz, E.M.; Perlt, H.; Rakow, P.; Schierholz, G.; Forschungszentrum Juelich GmbH; Schiller, A.

1995-06-01

We report on a high statistics quenched lattice QCD calculation of the deep-inelastic structure functions F 1 , F 2 , g 1 and g 2 of the proton and neutron. The theoretical basis for the calculation is the operator product expansion. We consider the moments of the leading twist operators up to spin four. Using Wilson fermions the calculation is done for three values of K, and we perform the extrapolation to the chiral limit. The renormalization constants, which lead us from lattice to continuum operators, are calculated in perturbation theory to one loop order. (orig.)

Dynamic Spin-Lattice Coupling and Nematic Fluctuations in NaFeAs

Directory of Open Access Journals (Sweden)

Yu Li

2018-06-01

Full Text Available We use inelastic neutron scattering to study acoustic phonons and spin excitations in single crystals of NaFeAs, a parent compound of iron-pnictide superconductors. NaFeAs exhibits a tetragonal-to-orthorhombic structural transition at T_{s}≈58  K and a collinear antiferromagnetic order at T_{N}≈45  K. While longitudinal and out-of-plane transverse acoustic phonons behave as expected, the in-plane transverse acoustic phonons reveal considerable softening on cooling to T_{s} and then harden on approaching T_{N} before saturating below T_{N}. In addition, we find that spin-spin correlation lengths of low-energy magnetic excitations within the FeAs layer and along the c axis increase dramatically below T_{s} and show a weak anomaly across T_{N}. These results suggest that the electronic nematic phase present in the paramagnetic tetragonal phase is closely associated with dynamic spin-lattice coupling, possibly arising from the one-phonon–two-magnon mechanism.

Optimization of the polarized Klein tunneling currents in a sub-lattice: pseudo-spin filters and latticetronics in graphene ribbons.

Science.gov (United States)

López, Luis I A; Yaro, Simeón Moisés; Champi, A; Ujevic, Sebastian; Mendoza, Michel

2014-02-12

We found that with an increase of the potential barrier applied to metallic graphene ribbons, the Klein tunneling current decreases until it is totally destroyed and the pseudo-spin polarization increases until it reaches its maximum value when the current is zero. This inverse relation disfavors the generation of polarized currents in a sub-lattice. In this work we discuss the pseudo-spin control (polarization and inversion) of the Klein tunneling currents, as well as the optimization of these polarized currents in a sub-lattice, using potential barriers in metallic graphene ribbons. Using density of states maps, conductance results, and pseudo-spin polarization information (all of them as a function of the energy V and width of the barrier L), we found (V, L) intervals in which the polarized currents in a given sub-lattice are maximized. We also built parallel and series configurations with these barriers in order to further optimize the polarized currents. A systematic study of these maps and barrier configurations shows that the parallel configurations are good candidates for optimization of the polarized tunneling currents through the sub-lattice. Furthermore, we discuss the possibility of using an electrostatic potential as (i) a pseudo-spin filter or (ii) a pseudo-spin inversion manipulator, i.e. a possible latticetronic of electronic currents through metallic graphene ribbons. The results of this work can be extended to graphene nanostructures.

Bounds on the maximum attainable equilibrium spin polarization of protons at high energy in HERA

International Nuclear Information System (INIS)

Vogt, M.

2000-12-01

For some years HERA has been supplying longitudinally spin polarised electron and positron (e ± ) beams to the HERMES experiment and in the future longitudinal polarisation will be supplied to the II1 and ZEUS experiments. As a result there has been a development of interest in complementing the polarised e ± beams with polarised protons. In contrast to the case of e ± where spin flip due to synchrotron radiation in the main bending dipoles leads to self polarisation owing to an up-down asymmetry in the spin flip rates (Sokolov-Ternov effect), there is no convincing self polarisation mechanism for protons at high energy. Therefore protons must be polarised almost at rest in a source and then accelerated to the working energy. At HERA, if no special measures are adopted, this means that the spins must cross several thousand ''spin-orbit resonances''. Resonance crossing can lead to loss of polarisation and at high energy such effects are potentially strong since spin precession is very pronounced in the very large magnetic fields needed to contain the proton beam in HERA-p. Moreover simple models which have been successfully used to describe spin motion at low and medium energies are no longer adequate. Instead, careful numerical spin-orbit tracking simulations are needed and a new, mathematically rigorous look at the theoretical concepts is required. This thesis describes the underlying theoretical concepts, the computational tools (SPRINT) and the results of such a study. In particular strong emphasis is put on the concept of the invariant spin field and its non-perturbative construction. The invariant spin field is then used to define the amplitude dependent spin tune and to obtain numerical non-perturbative estimates of the latter. By means of these two key concepts the nature of higher order resonances in the presence of snakes is clarified and their impact on the beam polarisation is analysed. We then go on to discuss the special aspects of the HERA-p ring

Spin flip in inelastic scattering of protons on 28Si nuclei

International Nuclear Information System (INIS)

Wang Syn Chan; Komsan, M.N.Kh.; Osetinskij, G.M.; Golubev, S.L.; Kurepin, A.B.; Likhosherstov, V.N.

1975-01-01

We measured the energy and angular dependences of the spin-flip probability and of the differential cross section for inelastic scattering of protons in the resonance region of the reaction 28 Si(p,p') 23 Si* (2 + , 1.78 MeV) at E sub(p) = 3.095 and 3.34 MeV. The energy dependence of the spin-flip probability was found to have a resonance character. The angular distribution of the inelastic scattering and of the spin-flip probability is asymmetrical with respect to 90 deg in the c.m.s

Lectures on pulsed NMR

International Nuclear Information System (INIS)

Pines, A.

1986-09-01

These lectures discuss some recent developments in pulsed NMR, emphasizing fundamental principles with selected illustrative applications. Major topics covered include multiple-quantum spectroscopy, spin decoupling, the interaction of spins with a quantized field, adiabatic rapid passage, spin temperature and statistics of cross-polarization, coherent averaging, and zero field NMR. 55 figs

Resonantly enhanced spin-lattice relaxation of Mn2 + ions in diluted magnetic (Zn,Mn)Se/(Zn,Be)Se quantum wells

Science.gov (United States)

Debus, J.; Ivanov, V. Yu.; Ryabchenko, S. M.; Yakovlev, D. R.; Maksimov, A. A.; Semenov, Yu. G.; Braukmann, D.; Rautert, J.; Löw, U.; Godlewski, M.; Waag, A.; Bayer, M.

2016-05-01

The dynamics of spin-lattice relaxation in the magnetic Mn2 + ion system of (Zn,Mn)Se/(Zn,Be)Se quantum-well structures are studied using optical methods. Pronounced cusps are found in the giant Zeeman shift of the quantum-well exciton photoluminescence at specific magnetic fields below 10 T, when the Mn spin system is heated by photogenerated carriers. The spin-lattice relaxation time of the Mn ions is resonantly accelerated at the cusp magnetic fields. Our theoretical analysis demonstrates that a cusp occurs at a spin-level mixing of single Mn2 + ions and a quick-relaxing cluster of nearest-neighbor Mn ions, which can be described as intrinsic cross-relaxation resonance within the Mn spin system.

Spin transfer matrix formulation and snake resonances for polarized proton beams

International Nuclear Information System (INIS)

Tepikian, S.

1986-01-01

The polarization of a spin polarized proton beam in a circular accelerator is described by a spin transfer matrix. Using this method, they investigate three problems: (1) the crossing of multiple spin resonances, (2) resonance jumping and (3) an accelerator with Siberian snakes. When crossing two (or more) spin resonances, there are no analytic solutions available. However, they can obtain analytic expressions if the two spin resonances are well separated (nonoverlapping) or very close together (overlapping). Between these two extremes they resort to numerical solution of the spin equations. Resonance jumping can be studied using the tools developed for analyzing the cross of multiple spin resonances. These theoretical results compare favorably with experimental results obtained from the AGS at Brookhaven. For large accelerators, resonance jumping becomes impractical and other methods such as Siberian snakes must be used to keep the beam spin polarized. An accelerator with Siberian snakes and isolated spin resonances can be described with a spin transfer matrix. From this, they find a new type of spin depolarizing resonance, called snake resonances

Spin flipping a stored polarized proton beam with an rf magnetic field

International Nuclear Information System (INIS)

Hu, S.Q.; Blinov, B.B.; Caussyn, D.D.

1995-01-01

The authors studied the spin flipping of a vertically polarized, stored 139 MeV proton beam with an rf solenoid magnetic field. By sweeping the rf frequency through an rf depolarizing resonance, they made the spin flip. The spin flipping was more efficient for slower ramp times, and the spin flip efficiency peaked at some optimum ramp time that is not yet fully understood. Since frequent spin flipping could significantly reduce the systematic errors in scattering experiments using a stored polarized beam, it is very important to minimize the depolarization after each spin flip. In this experiment, with multiple spin flips, the authors found a polarization loss of 0.0000 ± 0.0005 per spin flip under the best conditions; this loss increased significantly for small changes in the conditions

Study of xenon binding in cryptophane-A using laser-induced NMR polarization enhancement

International Nuclear Information System (INIS)

Luhmer, M.; Goodson, B.M.; Song, Y.Q.; Laws, D.D.; Kaiser, L.; Pines, A.; Lawrence Berkeley National Lab., CA

1999-01-01

Xenon is chemically inert, yet exhibits NMR parameters that are highly sensitive to its chemical environment. Considerable work has therefore capitalized on the utility of 129 Xe (I = 1/2) as a magnetic resonance probe of molecules, materials, and biological systems. In solution, spin-polarization transfer between laser-polarized xenon and the hydrogen nuclei of nearby molecules leads to signal enhancements in the resolved 1 H NMR spectrum, offering new opportunities for probing the chemical environment of xenon atoms. Following binding of laser-polarized xenon to molecules of cryptophane-A, selective enhancements of the 1 H NMR signals were observed. A theoretical framework for the interpretation of such experimental results is provided, and the spin polarization-induced nuclear Overhauser effects are shown to yield information about the molecular environment of xenon. The observed selective 1 H enhancements allowed xenon-proton internuclear distances to be estimated. These distances reveal structural characteristics of the complex, including the preferred molecular conformations adopted by cryptophane-A upon binding of xenon

Lectures on pulsed NMR

International Nuclear Information System (INIS)

Pines, A.

1988-08-01

These lectures discuss some recent developments in pulsed NMR, emphasizing fundamental principles with selected illustrative applications. Major topics covered include multiple-quantum spectroscopy, spin decoupling, the interaction of spins with a quantized field, adiabatic rapid passage, spin temperature and statistics of cross-polarization, coherent averaging, and zero field NMR. 32 refs., 56 figs

High Magnetic Field Vortex Microscopy by NMR

Science.gov (United States)

Mitrović, V. F.; Sigmund, E. E.; Bachman, H. N.; Halperin, W. P.; Reyes, A. P.; Kuhns, P.; Moulton, W. G.

2001-03-01

At low temperatures the ^17O NMR spectrum of HTS exhibits a characteristic vortex lattice line shape. Measurements of spin-lattice relaxation rate, T_1-1, across the vortex spectrum represent a probe of low-energy quasiparticle excitations as a function of distance from the vortex core. We report ^17O(2,3) T_1-1 measurements of YBa_2Cu_3O7 at low temperatures in magnetic fields up to 37 T. We find that the rate increases on approaching the vortex core. In the vortex core region at 37 T we observe an additional increase in the relaxation rate. The temperature dependence of the rate will also be discussed. Work at Northwestern University is supported by the NSF (DMR 91-20000) through the Science and Technology Center for Superconductivity.

Database proton NMR chemical shifts for RNA signal assignment and validation

Energy Technology Data Exchange (ETDEWEB)

Barton, Shawn; Heng Xiao [University of Maryland, Baltimore County, Howard Hughes Medical Institute (United States); Johnson, Bruce A., E-mail: bruce@onemoonscientific.com [University of Maryland, Baltimore County, Department of Chemistry and Biochemistry (United States); Summers, Michael F., E-mail: summers@hhmi.umbc.edu [University of Maryland, Baltimore County, Howard Hughes Medical Institute (United States)

2013-01-15

The Biological Magnetic Resonance Data Bank contains NMR chemical shift depositions for 132 RNAs and RNA-containing complexes. We have analyzed the {sup 1}H NMR chemical shifts reported for non-exchangeable protons of residues that reside within A-form helical regions of these RNAs. The analysis focused on the central base pair within a stretch of three adjacent base pairs (BP triplets), and included both Watson-Crick (WC; G:C, A:U) and G:U wobble pairs. Chemical shift values were included for all 4{sup 3} possible WC-BP triplets, as well as 137 additional triplets that contain one or more G:U wobbles. Sequence-dependent chemical shift correlations were identified, including correlations involving terminating base pairs within the triplets and canonical and non-canonical structures adjacent to the BP triplets (i.e. bulges, loops, WC and non-WC BPs), despite the fact that the NMR data were obtained under different conditions of pH, buffer, ionic strength, and temperature. A computer program (RNAShifts) was developed that enables convenient comparison of RNA {sup 1}H NMR assignments with database predictions, which should facilitate future signal assignment/validation efforts and enable rapid identification of non-canonical RNA structures and RNA-ligand/protein interaction sites.

A gelatin-free model system for the study of the basic radiation-induced polymerization in PAG dosimeters

International Nuclear Information System (INIS)

Babic, S; Park, Y S; Schreiner, L J

2004-01-01

In this presentation we show results of investigations on gelatin-free dosimeters containing equal amounts of acrylamide and N,N'-methylene-bisacrylamide (named Aqueous Polyacrylamide, APA, dosimeters). The dosimeters were prepared with three different total monomer concentrations (2, 6, and 8% by weight). Nuclear magnetic resonance (NMR) spin-spin and spin-lattice proton relaxation measurements at 20 MHz, and gravimetric analyses performed on all three dosimeters, show a continuous degree of polymerization over the range of dose 0.5 - 25 Gy. The developed NMR model explains the relationship observed between the relaxation data and the amount of cross-linked polymer formed at each dose. This model may be extended with gelatin relaxation data to provide a fundamental understanding of radiation-induced polymerization in the conventional PAG dosimeters

Nucleon distribution apmlitudes and proton decay matrix elements on the lattice

Energy Technology Data Exchange (ETDEWEB)

Braun, Vladimir M.; Goeckeler, Meinulf [Regensburg Univ. (Germany). Inst. fuer Theoretische Physik; Horsley, Roger [Edinburgh Univ. (GB). School of Physics] (and others)

2008-11-15

Baryon distribution amplitudes (DAs) are crucial for the theory of hard exclusive reactions. We present a calculation of the first few moments of the leading-twist nucleon DA within lattice QCD. In addition we deal with the normalization of the next-to-leading (twist-four) DAs. The matrix elements determining the latter quantities are also responsible for proton decay in Grand Unified Theories. Our lattice evaluation makes use of gauge field configurations generated with two flavors of clover fermions. The relevant operators are renormalized nonperturbatively with the final results given in the MS scheme. We find that the deviation of the leading-twist nucleon DA from its asymptotic form is less pronounced than sometimes claimed in the literature. (orig.)

NMR study of spin fluctuations and superconductivity in LaFeAsO1-xHx

Science.gov (United States)

Fujiwara, Naoki; Sakurai, Ryosuke; Iimura, Soushi; Matsuishi, Satoru; Hosono, Hideo; Yamakawa, Yoichi; Kontani, Hiroshi

2013-03-01

We have performed NMR measurements in LaFeAsO1-xHx, an isomorphic compound of LaFeAsO1-xFx. LaFeAsO1-xHx is most recently known for having double superconducting (SC) domes on H doping. LaFeAsO1-xHx is an electron- doped system, and protons act as H-1 as well as F-1. The first SC dome is very similar between F and H doping, suggesting that H doping supplies the same amount of electrons as F doping. Interestingly, an excess amount of H up to x=0.5 can be replaced with O2-. In the H-overdoped regime (x > 0 . 2), LaFeAsO1-xHx undergoes the second superconducting state. We measured the relaxation rate of LaFeAsO1-xHx for x=0.2 and 0.4, and fond an anomalous electronic state; spin fluctuations measured from 1 /T1 T is enhanced with increasing the doping level from x = 0 . 2 to 0.4. The enhancement of spin fluctuations with increasing carrier doping is a new phenomenon that has not observed in LaFeAsO1-xFx in which the upper limit of the doping level is at most x = 0 . 2 . We will discuss the phenomenon in relation to superconductivity. Grant (KAKENHI 23340101) from the Ministry of Education, Sports and Science, Japan

Single-Spin Polarization Effects and the Determination of Timelike Proton Form Factors

Energy Technology Data Exchange (ETDEWEB)

Brodsky, S

2003-10-24

We show that measurements of the proton's polarization in e{sup +}e{sup -} {yields} p{bar p} strongly discriminate between analytic forms of models which fit the proton form factors in the spacelike region. In particular, the single-spin asymmetry normal to the scattering plane measures the relative phase difference between the timelike G{sub E} and G{sub M} form factors. The expected proton polarization in the timelike region is large, of order of several tens of percent.

Polarizing a stored proton beam by spin flip? - A high statistic reanalysis

International Nuclear Information System (INIS)

Oellers, Dieter

2011-01-01

Prompted by recent, conflicting calculations, we have carried out a measurement of the spin flip cross section in low-energy electron-proton scattering. The experiment uses the cooling electron beam at COSY as an electron target. A reanalysis of the data leeds to a reduced statistical errors resulting in a factor of 4 reduced upper limit for the spin flip cross section. The measured cross sections are too small for making spin flip a viable tool in polarizing a stored beam.

Spin flipping a stored polarized proton beam at the IUCF cooler ring

International Nuclear Information System (INIS)

Phelps, R.A.

1995-01-01

We recently studied the spin flip of a vertically polarized 139 MeV proton beam stored in the IUCF Cooler Ring. We used an rf solenoid to induce a depolarizing resonance in the ring; we flipped the spin by varying the solenoid field's frequency through this resonance. We found a polarization loss after multiple spin flips less than 0.1% per flip; we also found that this loss increased for very slow frequency changes. This spin flip could reduce systematic errors in stored polarization beam experiments by allowing frequent beam polarization reversals during the experiment. copyright 1995 American Institute of Physics

Towards Using NMR to Screen for Spoiled Tomatoes Stored in 1,000 L, Aseptically Sealed, Metal-Lined Totes

Directory of Open Access Journals (Sweden)

Michael D. Pinter

2014-03-01

Full Text Available Nuclear magnetic resonance (NMR spectroscopy is used to track factory relevant tomato paste spoilage. It was found that spoilage in tomato paste test samples leads to longer spin lattice relaxation times T1 using a conventional low magnetic field NMR system. The increase in T1 value for contaminated samples over a five day room temperature exposure period prompted the work to be extended to the study of industry standard, 1,000 L, non-ferrous, metal-lined totes. NMR signals and T1 values were recovered from a large format container with a single-sided NMR sensor. The results of this work suggest that a handheld NMR device can be used to study tomato paste spoilage in factory process environments.

Probability of spin flipping of proton with energy 6.9 MeV at inelastic scattering with sup(54,56)Fe nuclei

International Nuclear Information System (INIS)

Prokopenko, V.S.; Sklyarenko, V.; Chernievskij, V.K.; Shustov, A.V.

1980-01-01

Spin-orbital effects of inelastic scattering of protons by nuclei with mean atomic weight are investigated along with the mechanisms of the reaction course by measuring proton spin flip. The experiment consists in measuring proton-gamma coincidences in mutually perpendicular planes by the technique of quick-slow coincidences. The excitation function of the 56 Fe(P,P 1 ) reaction is measured in the 3.5-6.2 MeV energy range. Angular dependences of probability of proton spin flip (a level of 2 + , 0.847 MeV) are measured at energies of incident protons of 4.96; 5.58 and 5.88 MeV. Measurements of probabilities of proton spin flipping at inelastic scattering by sup(54,56)Fe nuclei are performed in the process of studying spin-orbital effects and mechanisms of the reaction course. A conclusion is made that the inelastic scattering process in the energy range under investigation is mainly realized by two equivalent mechanisms: direct interaction and formation of a compound nucleus. Angular dependences for 54 Fe and 56 Fe noticeably differ in the values of probability of spin flip in the angular range of 50-150 deg

Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra

International Nuclear Information System (INIS)

Mercier, Pascal; Lewis, Michael J.; Chang, David; Baker, David; Wishart, David S.

2011-01-01

Nuclear magnetic resonance (NMR) and Mass Spectroscopy (MS) are the two most common spectroscopic analytical techniques employed in metabolomics. The large spectral datasets generated by NMR and MS are often analyzed using data reduction techniques like Principal Component Analysis (PCA). Although rapid, these methods are susceptible to solvent and matrix effects, high rates of false positives, lack of reproducibility and limited data transferability from one platform to the next. Given these limitations, a growing trend in both NMR and MS-based metabolomics is towards targeted profiling or “quantitative” metabolomics, wherein compounds are identified and quantified via spectral fitting prior to any statistical analysis. Despite the obvious advantages of this method, targeted profiling is hindered by the time required to perform manual or computer-assisted spectral fitting. In an effort to increase data analysis throughput for NMR-based metabolomics, we have developed an automatic method for identifying and quantifying metabolites in one-dimensional (1D) proton NMR spectra. This new algorithm is capable of using carefully constructed reference spectra and optimizing thousands of variables to reconstruct experimental NMR spectra of biofluids using rules and concepts derived from physical chemistry and NMR theory. The automated profiling program has been tested against spectra of synthetic mixtures as well as biological spectra of urine, serum and cerebral spinal fluid (CSF). Our results indicate that the algorithm can correctly identify compounds with high fidelity in each biofluid sample (except for urine). Furthermore, the metabolite concentrations exhibit a very high correlation with both simulated and manually-detected values.

Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra

Energy Technology Data Exchange (ETDEWEB)

Mercier, Pascal; Lewis, Michael J.; Chang, David, E-mail: dchang@chenomx.com [Chenomx Inc (Canada); Baker, David [Pfizer Inc (United States); Wishart, David S. [University of Alberta, Department of Computing Science and Biological Sciences (Canada)

2011-04-15

Nuclear magnetic resonance (NMR) and Mass Spectroscopy (MS) are the two most common spectroscopic analytical techniques employed in metabolomics. The large spectral datasets generated by NMR and MS are often analyzed using data reduction techniques like Principal Component Analysis (PCA). Although rapid, these methods are susceptible to solvent and matrix effects, high rates of false positives, lack of reproducibility and limited data transferability from one platform to the next. Given these limitations, a growing trend in both NMR and MS-based metabolomics is towards targeted profiling or 'quantitative' metabolomics, wherein compounds are identified and quantified via spectral fitting prior to any statistical analysis. Despite the obvious advantages of this method, targeted profiling is hindered by the time required to perform manual or computer-assisted spectral fitting. In an effort to increase data analysis throughput for NMR-based metabolomics, we have developed an automatic method for identifying and quantifying metabolites in one-dimensional (1D) proton NMR spectra. This new algorithm is capable of using carefully constructed reference spectra and optimizing thousands of variables to reconstruct experimental NMR spectra of biofluids using rules and concepts derived from physical chemistry and NMR theory. The automated profiling program has been tested against spectra of synthetic mixtures as well as biological spectra of urine, serum and cerebral spinal fluid (CSF). Our results indicate that the algorithm can correctly identify compounds with high fidelity in each biofluid sample (except for urine). Furthermore, the metabolite concentrations exhibit a very high correlation with both simulated and manually-detected values.

Fluorine dynamics in BaF2 superionic conductors investigated by NMR

International Nuclear Information System (INIS)

Gumann, Patryk

2008-01-01

In this work the dynamics of fluorine in solid-state electrolytes having BaF 2 -structure was investigated using three different NMR-methods: field cycling relaxometry, lineshape analysis, and static field gradient NMR. For this purpose a pure BaF 2 crystal, as well as crystals doped with trivalent impurities (LaF 3 ), were studied as a function of temperature. Using MAS NMR it was possible to identify two lines in Ba 0.9 La 0.1 F 2.1 having different chemical shift, and to refer them to the modified crystal structure. On this basis a model for the fluorine lineshape has been developed, taking into account three motional processes characterized by their correlation times. It includes jump diffusion of the fluorine ions among equivalent sites within two crystallographically distinct sublattices, and inter-lattice exchange processes. By measuring frequency and temperature-dependent spin lattice relaxation times, it was possible to gain information about fluorine dynamics on microscopic length scales. An attempt was also made to analyze the data for pure BaF 2 and low admixture concentration samples with a non-exponential correlation function. (orig.)

Results from EDDA at COSY: Spin Observables in Proton-Proton Elastic Scattering

International Nuclear Information System (INIS)

Rohdjess, Heiko

2003-01-01

Elastic proton-proton scattering as one of the fundamental hadronic reactions has been studied with the internal target experiment EDDA at the Cooler-Synchrotron COSY/Juelich. A precise measurement of differential cross section, analyzing power and three spin-correlation parameters over a large angular (θc.m. ≅ 35 deg. - 90 deg.) and energy (Tp ≅ 0.5 - 2.5 GeV) range has been carried out in the past years. By taking scattering data during the acceleration of the COSY beam, excitation functions were measured in small energy steps and consistent normalization with respect to luminosity and polarization. The experiment uses internal fiber targets and a polarized hydrogen atomic-beam target in conjunction with a double-layered, cylindrical scintillator hodoscope for particle detection. The results on differential cross sections and analyzing powers have been published and helped to improve phase shift solutions. Recently data taking with polarized beam and target has been completed. Preliminary results for the spin-correlation parameters A NN, ASS, and ASL are presented. The observable ASS has been measured the first time above 800 MeV and our results are in sharp contrast to phase-shift predictions at higher energies. Our analysis shows that some of the ambiguities in the direct reconstruction of scattering amplitudes which also show up as differences between available phase-shift solutions, will be reduced by these new measurements

Search for the non-canonical Ising spin glass on rewired square lattices

Science.gov (United States)

Surungan, Tasrief

2018-03-01

A spin glass (SG) of non-canonical type is a purely antiferromagnetic (AF) system, exemplified by the AF Ising model on a scale free network (SFN), studied by Bartolozzi et al. [ Phys. Rev. B73, 224419 (2006)]. Frustration in this new type of SG is rendered by topological factor and its randomness is caused by random connectivity. As an SFN corresponds to a large dimensional lattice, finding non-canonical SG in lattice with physical dimension is desireable. However, a regular lattice can not have random connectivity. In order to obtain lattices with random connection and preserving the notion of finite dimension, we costructed rewired lattices. We added some extra bonds randomly connecting each site of a regular lattice to its next-nearest neighbors. Very recently, Surungan et al., studied AF Heisenberg system on rewired square lattice and found no SG behavior [AIP Conf. Proc. 1719, 030006 (2016)]. Due to the importance of discrete symmetry for phase transition, here we study similar structure for the Ising model (Z 2 symmetry). We used Monte Carlo simulation with Replica Exchange algorithm. Two types of structures were studied, firstly, the rewired square lattices with one extra bonds added to each site, and secondly, two bonds added to each site. We calculated the Edwards-Anderson paremeter, the commonly used parameter in searching for SG phase. The non-canonical SG is clearly observed in the rewired square lattice with two extra bonds added.

Improved spin wave theory: An application to the spin-1/2 antiferromagnetic Heisenberg model on a square lattice

International Nuclear Information System (INIS)

Tao, Ruibao.

1991-09-01

A method is developed to make a Bose transformation which is restricted in proper space. A self-consistent independent spin wave representation (SCISWR) is found for two dimensional isotropic antiferromagnet of Heisenberg square lattices. In the SCISWR, we have successfully done the renormalization from both the dynamic and kinematic interaction and calculated the corrections from the correlations of the nearest neighbour and next nearest neighbour sites. An anisotropic excitation energy of spin wave in improper space is found self-consistently and has a gap. The difficulty of divergence appearing from higher order perturbation terms in the conventional spin wave theory has been overcome and the convergence in our approach seems quite good. We find the energy of ground state E approx. -0.659 in low order approximation and the magnetization of sublattice M z = 0.430 x (N/2) for system with spin 1/2. It is also proved that a physical spin excitation restricted in proper space is still isotropic and has no gap. (author). 17 refs

Spin dynamics in the strongly magnetically frustrated compounds YBaCo{sub 3}AlO{sub 7} and YBaCo{sub 3}FeO{sub 7} probed by NMR and ESR spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Iakovleva, Margarita [IFW Dresden, Dresden (Germany); TU Dresden, Dresden (Germany); E. K. Zavoisky Physical-Technical Institute, Kazan (Russian Federation); Zeisner, Julian; Zimmermann, Stephan; Buechner, Bernd [IFW Dresden, Dresden (Germany); TU Dresden, Dresden (Germany); Valldor, Martin [Max-Planck-Institut fuer Chemische Physik fester Stoffe, Dresden (Germany); Vavilova, Evgeniia [E. K. Zavoisky Physical-Technical Institute, Kazan (Russian Federation); Grafe, Hans-Joachim; Alfonsov, Alexey; Kataev, Vladislav [IFW Dresden, Dresden (Germany)

2016-07-01

In the Swedenborgite type compounds YBaCo{sub 3}AlO{sub 7} and YBaCo{sub 3}FeO{sub 7} the magnetic lattice can be described as a stacking of kagome layers, where unconventional ground states such as a spin liquid state can be expected due to the strong geometrical frustration. We performed a combined experimental study of magnetic properties of single crystals of YBaCo{sub 3}AlO{sub 7} and YBaCo{sub 3}FeO{sub 7} with high field ESR and high field NMR spectroscopy. The experimental results show the occurrence of short-range quasi static electron spin correlations at T{sup *} ∼ 22 K for YBaCo{sub 3}AlO{sub 7} and T{sup *} ∼ 60K for YBaCo{sub 3}FeO{sub 7} but not a long-range antiferromagnetic order. We compare our results with AC and DC susceptibility measurements and discuss a possible competition between a spin glass-like state due to intrinsic structural disorder and a spin liquid state arising from strong magnetic frustration in this materials.

Multiple Quantum Coherences (MQ) NMR and Entanglement Dynamics in the Mixed-Three-Spin XXX Heisenberg Model with Single-Ion Anisotropy

Science.gov (United States)

Hamid, Arian Zad

2016-12-01

We analytically investigate Multiple Quantum (MQ) NMR dynamics in a mixed-three-spin (1/2,1,1/2) system with XXX Heisenberg model at the front of an external homogeneous magnetic field B. A single-ion anisotropy property ζ is considered for the spin-1. The intensities dependence of MQ NMR coherences on their orders (zeroth and second orders) for two pairs of spins (1,1/2) and (1/2,1/2) of the favorite tripartite system are obtained. It is also investigated dynamics of the pairwise quantum entanglement for the bipartite (sub)systems (1,1/2) and (1/2,1/2) permanently coupled by, respectively, coupling constants J}1 and J}2, by means of concurrence and fidelity. Then, some straightforward comparisons are done between these quantities and the intensities of MQ NMR coherences and ultimately some interesting results are reported. We also show that the time evolution of MQ coherences based on the reduced density matrix of the pair spins (1,1/2) is closely connected with the dynamics of the pairwise entanglement. Finally, we prove that one can introduce MQ coherence of the zeroth order corresponds to the pair spins (1,1/2) as an entanglement witness at some special time intervals.

Magnonic quantum spin Hall state in the zigzag and stripe phases of the antiferromagnetic honeycomb lattice

Science.gov (United States)

Lee, Ki Hoon; Chung, Suk Bum; Park, Kisoo; Park, Je-Geun

2018-05-01

We investigated the topological property of magnon bands in the collinear magnetic orders of zigzag and stripe phases for the antiferromagnetic honeycomb lattice and identified Berry curvature and symmetry constraints on the magnon band structure. Different symmetries of both zigzag and stripe phases lead to different topological properties, in particular, the magnon bands of the stripe phase being disentangled with a finite Dzyaloshinskii-Moriya (DM) term with nonzero spin Chern number. This is corroborated by calculating the spin Nernst effect. Our study establishes the existence of a nontrivial magnon band topology for all observed collinear antiferromagnetic honeycomb lattices in the presence of the DM term.

Spin structure function measurements with polarized protons and electrons at HERA

International Nuclear Information System (INIS)

Ball, R.D.; Deshpande, A.; Forte, S.; Hughes, V.W.; Lichtenstadt, J.; Ridolfi, G.

1995-01-01

Useful insights into the spin structure functions of the nucleon can be achieved by measurements of spin-dependent asymmetries in inclusive scattering of high energy polarized electrons by high energy polarized protons at HERA. Such an experiment would be a natural extension of the polarized lepton-nucleon scattering experiments presently carried out at CERN and SLAC. We present here estimates of possible data in the extended kinematic range of HERA and associated statistical errors. (orig.)

Single reference Coupled Cluster treatment of nearly degenerate problems: Cohesive energy of antiferromagnetic lattices of spin 1 centers

International Nuclear Information System (INIS)

Malrieu, Jean-Paul

2012-01-01

Lattices of antiferromagnetically coupled spins, ruled by Heisenberg Hamiltonians, are intrinsically highly degenerate systems. The present work tries to estimate the ground state energy of regular bipartite spin lattices of S = 1 sites from a single reference Coupled Cluster expansion starting from a Néel function, taken as reference. The simultaneous changes of spin momentum on adjacent sites play the role of the double excitations in molecular electronic problems. Propagation of the spin changes plays the same role as the triple excitations. The treatment takes care of the deviation of multiple excitation energies from additivity. Specific difficulties appear for 1D chains, which are not due to a near degeneracy between the reference and the vectors which directly interact with it but to the complexity of the processes which lead to the low energy configurations where a consistent reversed-Néel domain is created inside the Néel starting spin wave. Despite these difficulties a reasonable value of the cohesive energy is obtained.

Single reference Coupled Cluster treatment of nearly degenerate problems: Cohesive energy of antiferromagnetic lattices of spin 1 centers

Science.gov (United States)

Malrieu, Jean-Paul

2012-06-01

Lattices of antiferromagnetically coupled spins, ruled by Heisenberg Hamiltonians, are intrinsically highly degenerate systems. The present work tries to estimate the ground state energy of regular bipartite spin lattices of S = 1 sites from a single reference Coupled Cluster expansion starting from a Néel function, taken as reference. The simultaneous changes of spin momentum on adjacent sites play the role of the double excitations in molecular electronic problems. Propagation of the spin changes plays the same role as the triple excitations. The treatment takes care of the deviation of multiple excitation energies from additivity. Specific difficulties appear for 1D chains, which are not due to a near degeneracy between the reference and the vectors which directly interact with it but to the complexity of the processes which lead to the low energy configurations where a consistent reversed-Néel domain is created inside the Néel starting spin wave. Despite these difficulties a reasonable value of the cohesive energy is obtained.

Quantum lattice model solver package HΦ. Applications to thermal and spin excitations in proximity of spin liquids

International Nuclear Information System (INIS)

Yamaji, Youhei; Misawa, Takahiro; Yoshimi, Kazuyoshi; Kawamura, Mitsuaki; Kawashima, Naoki; Todo, Synge

2017-01-01

HΦ is a program package based on the Lanczos-type method applicable to a broad range of quantum lattice models. HΦ has a flexible and simple-to-use interface, and runs efficiently on massively parallel computers. Unlike most existing packages, HΦ supports finite-temperature calculations. In this article, we apply HΦ to typical strongly correlated electron systems in proximity to quantum spin liquids. (author)

Spin-lattice relaxation in phosphorescent triplet state molecules

International Nuclear Information System (INIS)

Verbeek, P.J.F.

1979-01-01

The present thesis contains the results of a study of spin-lattice relaxation (SLR) in the photo-excited triplet state of aromatic molecules, dissolved in a molecular host crystal. It appears that SLR in phosphorescent triplet state molecules often is related to the presence of so-called (pseudo) localized phonons in the molecular mixed crystals. These local phonons can be thought to correspond with vibrations (librations) of the guest molecule in the force field of the surrounding host molecules. Since the intermolecular forces are relatively weak, the frequencies corresponding with these vibrations are relatively low and usually are of the order of 10-30 cm -1 . (Auth.)

Physical properties of the spin Hamiltonian on honeycomb lattice samples with Kekulé and vacuum polarization corrections

Science.gov (United States)

Martins, Ricardo Spagnuolo; Konstantinova, Elena; Belich, Humberto; Helayël-Neto, José Abdalla

2017-11-01

Magnetic and thermodynamical properties of a system of spins in a honeycomb lattice, such as magnetization, magnetic susceptibility and specific heat, in a low-temperature regime are investigated by considering the effects of a Kekulé scalar exchange and QED vacuum polarization corrections to the interparticle potential. The spin lattice calculations are carried out by means of Monte Carlo simulations. We present a number of comparative plots of all the physical quantities we have considered and a detailed analysis is presented to illustrate the main features and the variation profiles of the properties with the applied external magnetic field and temperature.

A compact proton synchrotron with combined-function lattice dedicated for cancer therapy

CERN Document Server

Morita, A; Inoue, M; Shirai, T; Iwashita, Y; Hiramoto, K; Katane, M; Tadokoro, M; Nishi, M; Umezawa, M

1999-01-01

A compact proton synchrotron with combined function lattice has been designed as a dedicated machine for cancer therapy because of its merits of easy operation and low construction cost. The lattice has a six-fold symmetry and its radius of curvature and circumference are 1.9 m and 23.9 m, respectively. For the purpose of establishing a good reference design, we have constructed a model magnet based on the three-dimensional magnetic field calculation. A magnetic field measurement has been performed with use of a three-dimensional Hall- probe. In the present paper, the results of these developments is presented together with the outline of the reference design. (3 refs) .

Correlation of the antimicrobial activity of salicylaldehydes with broadening of the NMR signal of the hydroxyl proton. Possible involvement of proton exchange processes in the antimicrobial activity.

Science.gov (United States)

Elo, Hannu; Kuure, Matti; Pelttari, Eila

2015-03-06

Certain substituted salicylaldehydes are potent antibacterial and antifungal agents and some of them merit consideration as potential chemotherapeutic agents against Candida infections, but their mechanism of action has remained obscure. We report here a distinct correlation between broadening of the NMR signal of the hydroxyl proton of salicylaldehydes and their activity against several types of bacteria and fungi. When proton NMR spectra of the compounds were determined using hexadeuterodimethylsulfoxide as solvent and the height of the OH proton signal was measured, using the signal of the aldehyde proton as an internal standard, it was discovered that a prerequisite of potent antimicrobial activity is that the proton signal is either unobservable or relatively very low, i.e. that it is extremely broadened. Thus, none of the congeners whose OH proton signal was high were potent antimicrobial agents. Some congeners that gave a very low OH signal were, however, essentially inactive against the microbes, indicating that although drastic broadening of the OH signal appears to be a prerequisite, also other (so far unknown) factors are needed for high antimicrobial activity. Because broadening of the hydroxyl proton signal is related to the speed of the proton exchange process(es) involving that proton, proton exchange may be involved in the mechanism of action of the compounds. Further studies are needed to analyze the relative importance of different factors (such as electronic effects, strength of the internal hydrogen bond, co-planarity of the ring and the formyl group) that determine the rates of those processes. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Chiral Spin-Density Wave, Spin-Charge-Chern Liquid, and d+id Superconductivity in 1/4-Doped Correlated Electronic Systems on the Honeycomb Lattice

Directory of Open Access Journals (Sweden)

Shenghan Jiang

2014-09-01

Full Text Available Recently, two interesting candidate quantum phases—the chiral spin-density wave state featuring anomalous quantum Hall effect and the d+id superconductor—were proposed for the Hubbard model on the honeycomb lattice at 1/4 doping. Using a combination of exact diagonalization, density matrix renormalization group, the variational Monte Carlo method, and quantum field theories, we study the quantum phase diagrams of both the Hubbard model and the t-J model on the honeycomb lattice at 1/4 doping. The main advantage of our approach is the use of symmetry quantum numbers of ground-state wave functions on finite-size systems (up to 32 sites to sharply distinguish different quantum phases. Our results show that for 1≲U/t<40 in the Hubbard model and for 0.1spin-density wave state or a spin-charge-Chern liquid, but not a d+id superconductor. However, in the t-J model, upon increasing J, the system goes through a first-order phase transition at J/t=0.80(2 into the d+id superconductor. Here, the spin-charge-Chern liquid state is a new type of topologically ordered quantum phase with Abelian anyons and fractionalized excitations. Experimental signatures of these quantum phases, such as tunneling conductance, are calculated. These results are discussed in the context of 1/4-doped graphene systems and other correlated electronic materials on the honeycomb lattice.

The nuclear spin response to intermediate energy protons and deuterons at low momentum transfer

International Nuclear Information System (INIS)

Baker, F.T.; Djalali, C.; Glashausser, C.; Lenske, H.; Love, W.G.; Tomasi-Gustafsson, E.; Wambach, J.

1997-01-01

Measurements of polarization transfer in the inelastic scattering of intermediate energy protons and deuterons have yielded a wealth of data on the spin response of nuclei. This work complements the well-known studies of Gamow-Teller strength in charge-exchange reactions. The emphasis here is on a consistent determination of the S=1, T=0 response, practical only with deuterons, and on the proper separation of S=0 and S=1 strength in proton spectra for appropriate comparison with sum rules. We concentrate on two nuclei, 40 Ca and 12 C, at momentum transfers below about 1 fm -1 and on excitations up to about 50 MeV. The continuum second random phase approximation provides the primary theoretical tool for calculating and interpreting the response in terms of properties of the nucleon-nucleon force inside the nuclear medium. The reaction mechanism is described by the DWIA, applied here to continuum proton scattering almost as rigorously as it is usually applied to low energy excitations. A new DWIA formalism for the description of spin observables in deuteron scattering is used. Comparison of the proton and deuteron data with each other and with RPA/DWIA calculations yields interesting insights into the current state of understanding of collectivity and the nuclear spin response. (orig.)

Topological phase transition in anisotropic square-octagon lattice with spin-orbit coupling and exchange field

Science.gov (United States)

Yang, Yuan; Yang, Jian; Li, Xiaobing; Zhao, Yue

2018-03-01

We investigate the topological phase transitions in an anisotropic square-octagon lattice in the presence of spin-orbit coupling and exchange field. On the basis of the Chern number and spin Chern number, we find a number of topologically distinct phases with tuning the exchange field, including time-reversal-symmetry-broken quantum spin Hall phases, quantum anomalous Hall phases and a topologically trivial phase. Particularly, we observe a coexistent state of both the quantum spin Hall effect and quantum anomalous Hall effect. Besides, by adjusting the exchange filed, we find the phase transition from time-reversal-symmetry-broken quantum spin Hall phase to spin-imbalanced and spin-polarized quantum anomalous Hall phases, providing an opportunity for quantum spin manipulation. The bulk band gap closes when topological phase transitions occur between different topological phases. Furthermore, the energy and spin spectra of the edge states corresponding to different topological phases are consistent with the topological characterization based on the Chern and spin Chern numbers.

1H NMR studies of human lysozyme: Spectral assignment and comparison with hen lysozyme

International Nuclear Information System (INIS)

Redfield, C.; Dobson, C.M.

1990-01-01

Complete main-chain (NH and αCH) 1 H NMR assignments are reported for the 130 residues of human lysozyme, along with extensive assignments for side-chain protons. Analysis of 2-D NOESY experiments shows that the regions of secondary structure for human lysozyme in solution are essentially identical with those found previously in a similar study of hen lysozyme and are in close accord with the structure of the protein reported previously from x-ray diffraction studies in the crystalline state. Comparison of the chemical shifts, spin-spin coupling constants, and hydrogen exchange behavior are also consistent with closely similar structures for the two proteins in solution. In a number of cases specific differences in the NMR parameters between hen and human lysozymes can be correlated with specific differences observed in the crystal structures

Decay of the high-spin isomer in 160Re: Changing single-particle structure beyond the proton drip line

International Nuclear Information System (INIS)

Darby, I.G.; Page, R.D.; Joss, D.T.; Simpson, J.; Bianco, L.; Cooper, R.J.; Eeckhaudt, S.; Ertuerk, S.; Gall, B.; Grahn, T.; Greenlees, P.T.; Hadinia, B.; Jones, P.M.; Judson, D.S.; Julin, R.; Juutinen, S.; Ketelhut, S.; Leino, M.; Leppaenen, A.-P.; Nyman, M.

2011-01-01

A new high-spin isomeric state (t 1/2 =2.8±0.1 μs) in 160 Re has been identified. This high-spin isomer is unique in that it only decays by γ-decay and not by proton or α-particle emission as is the case in every other proton emitter between Z=64 and 80. Shell model calculations indicate how the convergence of the h 9/2 and f 7/2 neutron levels in this region could open up a γ-decay path from the high-spin isomer to the low-spin ground state of 160 Re, providing a natural explanation for this anomalous absence of charged-particle emission. The consequences of these observations for future searches for proton emission from even more exotic nuclei and in-beam spectroscopic studies are considered.

Prospect of quantum anomalous Hall and quantum spin Hall effect in doped kagome lattice Mott insulators.

Science.gov (United States)

Guterding, Daniel; Jeschke, Harald O; Valentí, Roser

2016-05-17

Electronic states with non-trivial topology host a number of novel phenomena with potential for revolutionizing information technology. The quantum anomalous Hall effect provides spin-polarized dissipation-free transport of electrons, while the quantum spin Hall effect in combination with superconductivity has been proposed as the basis for realizing decoherence-free quantum computing. We introduce a new strategy for realizing these effects, namely by hole and electron doping kagome lattice Mott insulators through, for instance, chemical substitution. As an example, we apply this new approach to the natural mineral herbertsmithite. We prove the feasibility of the proposed modifications by performing ab-initio density functional theory calculations and demonstrate the occurrence of the predicted effects using realistic models. Our results herald a new family of quantum anomalous Hall and quantum spin Hall insulators at affordable energy/temperature scales based on kagome lattices of transition metal ions.

Polarization reversal of proton spins in solid-state targets by superradiance effects

International Nuclear Information System (INIS)

Reichertz, L.A.

1991-02-01

Scattering experiments with polarized targets are prepared at the Bonn accelerator ELSA. The new Bonn frozen spin target (BOFROST) developed for real photon experiments at the PHOENICS detector has been tested in the laboratory. Proton polarization values of -99% and +94% in ammonia, -96% and +90% in butanol have been achieved at a magnetic field of 3.5 Tesla. At a temperature of 70 mK and a magnetic field of 0.35 Tesla a very fast spontaneous polarization reversal has been observed. This effect occured at negative polarization only and has been identified as a self-induced superradiance effect in the proton spin system. This work describes the polarization and relaxation measurements at BOFROST and detailed experiments concerning the superradiance effect. (orig.) [de

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.

Spin Polarisabilities and Compton Scattering from χEFT: Bridging QCD and Data

Science.gov (United States)

Griesshammer, Harald W.; McGovern, Judith A.; Phillips, Daniel R.

2017-01-01

Compton scattering from protons and neutrons probes their two-photon response in electric and magnetic fields of real photons, exploring the symmetries and interaction strengths of the internal degrees of freedom. With the scalar polarisabilities αE 1 and βM 1 now reasonably understood, the focus turns to the so-far poorly explored spin-polarisabilities. They parametrise the stiffness of the nucleon spin in external electro-magnetic fields, analogous to rotations of the polarisation of light by optically active media (bi-refringence/Faraday effect) and are particularly sensitive to the directional dependence of the πNγ interactions dictated by chiral symmetry and its breaking. This contribution addresses the potential of Chiral Effective Field Theory to relate between lattice QCD and ongoing or approved efforts at MAX-lab, HI γS and MAMI. We discuss high-intensity experiments with polarised targets and polarised beams which will allow the extraction of the spin-polarisabilities; χEFT predictions which indicate which observables for polarised protons, deuterons and 3 He are particularly sensitive; convergence, residual theoretical uncertainties and possibilities for improvement; and chiral extrapolations in mπ for lattice computations. Supported in part by UK STFC, US DOE and George Washington University.

Anatomising proton NMR spectra with pure shift 2D J-spectroscopy: A cautionary tale

Science.gov (United States)

Kiraly, Peter; Foroozandeh, Mohammadali; Nilsson, Mathias; Morris, Gareth A.

2017-09-01

Analysis of proton NMR spectra has been a key tool in structure determination for over 60 years. A classic tool is 2D J-spectroscopy, but common problems are the difficulty of obtaining the absorption mode lineshapes needed for accurate results, and the need for a 45° shear of the final 2D spectrum. A novel 2D NMR method is reported here that allows straightforward determination of homonuclear couplings, using a modified version of the PSYCHE method to suppress couplings in the direct dimension. The method illustrates the need for care when combining pure shift data acquisition with multiple pulse methods.

Exploring high-resolution magic angle spinning (HR-MAS) NMR spectroscopy for metabonomic analysis of apples.

Science.gov (United States)

Vermathen, Martina; Marzorati, Mattia; Vermathen, Peter

2012-01-01

Classical liquid-state high-resolution (HR) NMR spectroscopy has proved a powerful tool in the metabonomic analysis of liquid food samples like fruit juices. In this paper the application of (1)H high-resolution magic angle spinning (HR-MAS) NMR spectroscopy to apple tissue is presented probing its potential for metabonomic studies. The (1)H HR-MAS NMR spectra are discussed in terms of the chemical composition of apple tissue and compared to liquid-state NMR spectra of apple juice. Differences indicate that specific metabolic changes are induced by juice preparation. The feasibility of HR-MAS NMR-based multivariate analysis is demonstrated by a study distinguishing three different apple cultivars by principal component analysis (PCA). Preliminary results are shown from subsequent studies comparing three different cultivation methods by means of PCA and partial least squares discriminant analysis (PLS-DA) of the HR-MAS NMR data. The compounds responsible for discriminating organically grown apples are discussed. Finally, an outlook of our ongoing work is given including a longitudinal study on apples.

High resolution NMR imaging using a high field yokeless permanent magnet.

Science.gov (United States)

Kose, Katsumi; Haishi, Tomoyuki

2011-01-01

We measured the homogeneity and stability of the magnetic field of a high field (about 1.04 tesla) yokeless permanent magnet with 40-mm gap for high resolution nuclear magnetic resonance (NMR) imaging. Homogeneity was evaluated using a 3-dimensional (3D) lattice phantom and 3D spin-echo imaging sequences. In the central sphere (20-mm diameter), peak-to-peak magnetic field inhomogeneity was about 60 ppm, and the root-mean-square was 8 ppm. We measured room temperature, magnet temperature, and NMR frequency of the magnet simultaneously every minute for about 68 hours with and without the thermal insulator of the magnet. A simple mathematical model described the magnet's thermal property. Based on magnet performance, we performed high resolution (up to [20 µm](2)) imaging with internal NMR lock sequences of several biological samples. Our results demonstrated the usefulness of the high field small yokeless permanent magnet for high resolution NMR imaging.

High resolution NMR imaging using a high field yokeless permanent magnet

International Nuclear Information System (INIS)

Kose, Katsumi; Haishi, Tomoyuki

2011-01-01

We measured the homogeneity and stability of the magnetic field of a high field (about 1.04 tesla) yokeless permanent magnet with 40-mm gap for high resolution nuclear magnetic resonance (NMR) imaging. Homogeneity was evaluated using a 3-dimensional (3D) lattice phantom and 3D spin-echo imaging sequences. In the central sphere (20-mm diameter), peak-to-peak magnetic field inhomogeneity was about 60 ppm, and the root-mean-square was 8 ppm. We measured room temperature, magnet temperature, and NMR frequency of the magnet simultaneously every minute for about 68 hours with and without the thermal insulator of the magnet. A simple mathematical model described the magnet's thermal property. Based on magnet performance, we performed high resolution (up to [20 μm] 2 ) imaging with internal NMR lock sequences of several biological samples. Our results demonstrated the usefulness of the high field small yokeless permanent magnet for high resolution NMR imaging. (author)

The nucleon spin and momentum decomposition using lattice QCD simulations

International Nuclear Information System (INIS)

Alexandrou, C.; Cyprus Univ., Nicosia; Constantinou, M.; Hadjiyiannakou, K.; Kallidonis, C.; Koutsou, G.; Jansen, K.; Wiese, K.; Vaquero Aviles-Casco, A.

2017-11-01

We determine within lattice QCD, the nucleon spin carried by valence and sea quarks, and gluons. The calculation is performed using an ensemble of gauge configurations with two degenerate light quarks with mass fixed to approximately reproduce the physical pion mass. We find that the total angular momentum carried by the quarks in the nucleon is J u+d+s =0.408(61) stat. (48) syst. and the gluon contribution is J g =0.133(11) stat. (14) syst. giving a total of J N =0.54(6) stat. (5) syst. consistent with the spin sum. For the quark intrinsic spin contribution we obtain (1)/(2)ΔΣ u+d+s =0.201(17) stat. (5) syst. All quantities are given in the MS scheme at 2 GeV. The quark and gluon momentum fractions are also computed and add up to left angle x right angle u+d+s + left angle x right angle g =0.804(121) stat. (95) syst. +0.267(12) stat. (10) syst. =1.07(12) stat. (10) syst. satisfying the momentum sum.

Fluorine dynamics in BaF{sub 2} superionic conductors investigated by NMR

Energy Technology Data Exchange (ETDEWEB)

Gumann, Patryk

2008-07-01

In this work the dynamics of fluorine in solid-state electrolytes having BaF{sub 2}-structure was investigated using three different NMR-methods: field cycling relaxometry, lineshape analysis, and static field gradient NMR. For this purpose a pure BaF{sub 2} crystal, as well as crystals doped with trivalent impurities (LaF{sub 3}), were studied as a function of temperature. Using MAS NMR it was possible to identify two lines in Ba{sub 0.9}La{sub 0.1}F{sub 2.1} having different chemical shift, and to refer them to the modified crystal structure. On this basis a model for the fluorine lineshape has been developed, taking into account three motional processes characterized by their correlation times. It includes jump diffusion of the fluorine ions among equivalent sites within two crystallographically distinct sublattices, and inter-lattice exchange processes. By measuring frequency and temperature-dependent spin lattice relaxation times, it was possible to gain information about fluorine dynamics on microscopic length scales. An attempt was also made to analyze the data for pure BaF{sub 2} and low admixture concentration samples with a non-exponential correlation function. (orig.)

Geometric spin frustration for isolated plaquettes of the lattices: An extended irreducible tensor operator method

International Nuclear Information System (INIS)

Wang Fan; Chen Zhida

2006-01-01

A new strategy to search for the good quantum numbers for the corner-sharing spin systems, as archetypal plaquettes of the lattices, was suggested for the first time in order to study on geometric spin frustration. The calculations on energy spectra by using the irreducible tensor operator method with the new strategy can be much reduced. As representative examples the energy spectra for the spin pentamer of the tetrahedron with a centered spin site and the spin heptamer of three corner-sharing equilateral-triangle were examined in order to confirm efficiency of the new strategy. Through our code, with automatically searching for the good quantum numbers, the projection operators S iz , S ix and S iy matrices in the ground state space for the spin heptamer were reliably constructed

Discriminating binding and positioning of amphiphiles to lipid bilayers by {sup 1}H NMR