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Sample records for acoustic nuclear magnetic resonance

  1. Acoustic nuclear magnetic resonance in easy-axis antiferromagnets

    International Nuclear Information System (INIS)

    Obtained and investigated is the dispersion equation which shows that in the rouge of the tipping field at low temperatures the study of effects conditioned by the bond between the oscillations of electron and nuclear spins depends upon the fact, whethe the interaction of the sound with a nuclear spin subsystem is taken into account. The same concerns the effects conditioned by a strong bond between the oscillations of the lattice and electron spins. Shown is the effect of anisotropy of magnitostriction relative part on the nature of orientation phase transitions and the value of the coefficient of strengthening nuclear magnetic resonance

  2. Magnetic resonance imaging of acoustic neuroma

    Energy Technology Data Exchange (ETDEWEB)

    Kashihara, Kengo; Murata, Hideaki; Ito, Haruhide; Onishi, Hiroaki; Kadoya, Masumi; Suzuki, Masayuki.

    1989-03-01

    Thirteen patients with acoustic neuroma were studied on a 1.5T superconductive magnetic resonance (MR) imager. Acoustic neuromas appeared as lower signal intensity than the surrounding brain stem on T1 weighted image (W.I.), and as higher signal intensity on T2 W.I.. Axial and coronal sections of T1 W.I. were very useful in observing the tumor in the auditory canal and in investigating the anatomical relations of the tumor and the surrounding structures. MR imaging is very excellent examination to make early diagnosis of the acoustic neuroma and preoperative anatomical evaluation.

  3. Magnetometer of nuclear magnetic resonance

    International Nuclear Information System (INIS)

    We present a nuclear magnetic resonance magnetometer that measures magnetic fields, between 2,500 gauss and 5,000 gauss, with an accuracy of a few parts per million. The circuit of the magnetometer, based on a marginal oscillator, permits a continuous tunning in the frequency range comprised between 10.0 MHz, with a signal to noise ratio of about 20. The radiofrequency amplifier is of the cascode type in integrated circuit and it operates with two 9V batteries. The modulation is at 35 Hz and it is provided by an external oscillator. The instrument is compact, inexpensive and easy to operate; it can also be used for didactic purposes to show the phenomenon of magnetic nuclear resonance and its main characteristics. (author)

  4. GHz nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Cross, T.A.; Drobny, G.; Trewhella, J.

    1994-12-01

    For the past dozen years, 500- and 600-MHz spectrometers have become available in many laboratories. The first 600-MHz NMR spectrometer (at Carnegie Mellon University) was commissioned more than 15 years ago and, until 1994, represented the highest field available for high-resolution NMR. This year, we have witnessed unprecedented progress in the development of very high field magnets for NMR spectroscopy, including the delivery of the first commercial 750-MHz NMR spectrometers. In addition, NMR signals have been obtained from 20-Tesla magnets (850 MHz for {sup 1}H`s) at both Los Alamos National Laboratory and Florida State University in the NHMFL (National High Magnetic Field Laboratory). These preliminary experiments have been performed in magnets with 100-ppm homogeneity, but a 20-Tesla magnet developed for the NHMFL will be brought to field this year with a projected homogeneity of 0.1 ppm over a 1-cm-diam spherical volume.

  5. Evanescent Waves Nuclear Magnetic Resonance

    DEFF Research Database (Denmark)

    Halidi, El Mohamed; Nativel, Eric; Akel, Mohamad;

    2016-01-01

    Nuclear Magnetic Resonance spectroscopy and imaging can be classified as inductive techniques working in the near- to far-field regimes. We investigate an alternative capacitive detection with the use of micrometer sized probes positioned at sub wavelength distances of the sample in order to char...... a new road to a better understanding of the evanescent waves component in NMR with the opportunity to perform localized spectroscopy and imaging....

  6. Evanescent Waves Nuclear Magnetic Resonance.

    Science.gov (United States)

    Halidi, El Mohamed; Nativel, Eric; Akel, Mohamad; Kenouche, Samir; Coillot, Christophe; Alibert, Eric; Jabakhanji, Bilal; Schimpf, Remy; Zanca, Michel; Stein, Paul; Goze-Bac, Christophe

    2016-01-01

    Nuclear Magnetic Resonance spectroscopy and imaging can be classified as inductive techniques working in the near- to far-field regimes. We investigate an alternative capacitive detection with the use of micrometer sized probes positioned at sub wavelength distances of the sample in order to characterize and model evanescent electromagnetic fields originating from NMR phenomenon. We report that in this experimental configuration the available NMR signal is one order of magnitude larger and follows an exponential decay inversely proportional to the size of the emitters. Those investigations open a new road to a better understanding of the evanescent waves component in NMR with the opportunity to perform localized spectroscopy and imaging.

  7. Wide-range nuclear magnetic resonance detector

    Science.gov (United States)

    Sturman, J. C.; Jirberg, R. J.

    1972-01-01

    Compact and easy to use solid state nuclear magnetic resonance detector is designed for measuring field strength to 20 teslas in cryogenically cooled magnets. Extremely low noise and high sensitivity make detector applicable to nearly all types of analytical nuclear magnetic resonance measurements and can be used in high temperature and radiation environments.

  8. Introduction to Nuclear Magnetic Resonance

    Science.gov (United States)

    Manatt, Stanley L.

    1985-01-01

    The purpose of this paper is to try to give a short overview of what the status is on nuclear magnetic resonance (NMR). It's a subject where one really has to spend some time to look at the physics in detail to develop a proper working understanding. I feel it's not appropriate to present to you density matrices, Hamiltonians of all sorts, and differential equations representing the motion of spins. I'm really going to present some history and status, and show a few very simple concepts involved in NMR. It is a form of radio frequency spectroscopy and there are a great number of nuclei that can be studied very usefully with the technique. NMR requires a magnet, a r.f. transmitter/receiver system, and a data acquisition system.

  9. Nuclear magnetic resonance studies of erythrocyte membranes

    NARCIS (Netherlands)

    Chapman, D.; Kamat, V.B.; Gier, J. de; Penkett, S.A.

    1968-01-01

    The use of nuclear magnetic resonance spectroscopy for studying molecular interactions in biological membranes has been investigated using erythrocyte membrane fragments. Sonic dispersion of these fragments produces a sharp and well-defined high-resolution nuclear magnetic resonance spectrum. The sp

  10. Nuclear Magnetic Resonance Imaging: Current Capabilities

    OpenAIRE

    Davis, Peter L.; Crooks, Lawrence E.; Margulis, Alexander R.; Kaufman, Leon

    1982-01-01

    Nuclear magnetic resonance imaging can produce tomographic images of the body without ionizing radiation. Images of the head, chest, abdomen, pelvis and extremities have been obtained and normal structures and pathology have been identified. Soft tissue contrast with this method is superior to that with x-ray computerized tomography and its spatial resolution is approaching that of x-ray computerized tomography. In addition, nuclear magnetic resonance imaging enables us to image along the sag...

  11. Progress in nuclear magnetic resonance spectroscopy

    CERN Document Server

    Emsley, J W; Sutcliffe, L H

    2013-01-01

    Progress in Nuclear Magnetic Resonance Spectroscopy, Part 1 is a two-chapter text that reviews significant developments in nuclear magnetic resonance (NMR) applications.The first chapter discusses NMR studies of molecules physisorbed on homogeneous surfaces. This chapter also describes the phase changes in the adsorbed layer detected by following the variation in the NMR parameters. The second chapter examines the process to obtain a plotted, data reduced Fourier transform NMR spectrum. This chapter highlights the pitfalls that can cause a decrease in information content in a NMR spectrum. The

  12. Nuclear Magnetic Resonance Technology for Medical Studies.

    Science.gov (United States)

    Budinger, Thomas F.; Lauterbur, Paul C.

    1984-01-01

    Reports on the status of nuclear magnetic resonance (NMR) from theoretical and clinical perspectives, reviewing NMR theory and relaxation parameters relevant to NMR imaging. Also reviews literature related to modern imaging strategies, signal-to-noise ratio, contrast agents, in vivo spectroscopy, spectroscopic imaging, clinical applications, and…

  13. Nuclear magnetic resonance of thermally oriented nuclei

    International Nuclear Information System (INIS)

    The more recent developments in the spectroscopy of Nuclear Magnetic Resonance on Oriented Nuclei (NMRON) are reviewed; both theoretical and experimental advances are summarised with applications to On-Line and Off-Line determination of magnetic dipole and electric quadrupole hyperfine parameters. Some emphasis is provided on solid state considerations with indications of where likely enhancements in technique will lead in conventional hyperfine studies. (orig.)

  14. Generation of nuclear magnetic resonance images

    International Nuclear Information System (INIS)

    Two generation techniques of nuclear magnetic resonance images, the retro-projection and the direct transformation method are studied these techniques are based on the acquisition of NMR signals which phases and frequency components are codified in space by application of magnetic field gradients. The construction of magnet coils is discussed, in particular a suitable magnet geometry with polar pieces and air gap. The obtention of image contrast by T1 and T2 relaxation times reconstructed from generated signals using sequences such as spin-echo, inversion-recovery and stimulated echo, is discussed. The mathematical formalism of matrix solution for Bloch equations is also presented. (M.C.K.)

  15. Nuclear magnetic resonance (NMR): principles and applications

    International Nuclear Information System (INIS)

    The basis for the phenomenon of nuclear magnetic resonance (NMR) is the ability of certain nuclei possessing both intrinsic angular momentum or ''spin'' I and magnetic moment to absorb electromagnetic energy in the radio frequency range. In principle, there are approximately 200 nuclei which may be investigated using the NMR technique. The NMR spectrum consists of intensity peaks along an axis calibrated in terms of the steady magnetic field or the frequency of the radiofrequency electromagnetic radiation. Analysis of the number, spacing, position and intensity of the lines in an NMR spectrum consists of intensity peaks along an axis calibrated in terms of the steady magnetic field or the frequency of the radiofrequency electromagnetic radiation. Analysis of the number, spacing, position and intensity of the lines in an NMR spectrum provides a variety of qualitative and quantitative analytical applications. The most obvious applications consist of the measurements of nuclear properties, such as spin number and nuclear magnetic moment. In liquids, the fine structure of resonance spectra provides a tool for chemical identification and molecular structure analysis. Other applications include the measurements of self-diffusion coefficients, magnetic fields and field homogeneity, inter-nuclear distances, and, in some cases, the water content of biological materials. (author)

  16. Contribution to nuclear magnetic resonance imager using permanent magnets

    International Nuclear Information System (INIS)

    After some recalls of nuclear magnetic resonance, ways to get a stable and homogeneous magnetic field are studied with permanent magnets. Development of correction coils on integrated circuits has been particularly stressed. Gradient coil specific systems have been studied taking in account ferromagnetic material presence. Antenna system has been improved and possibility of image obtention with the prototype realized has been shown

  17. Pulsed nuclear-electronic magnetic resonance

    CERN Document Server

    Morley, Gavin W; Mohammady, M Hamed; Aeppli, Gabriel; Kay, Christopher W M; Jeschke, Gunnar; Monteiro, Tania S

    2011-01-01

    Pulsed magnetic resonance is a wide-reaching technology allowing the quantum state of electronic and nuclear spins to be controlled on the timescale of nanoseconds and microseconds respectively. The time required to flip either dilute electronic or nuclear spins is orders of magnitude shorter than their decoherence times, leading to several schemes for quantum information processing with spin qubits. We investigate instead the novel regime where the eigenstates approximate 50:50 superpositions of the electronic and nuclear spin states forming "nuclear-electronic" qubits. Here we demonstrate quantum control of these states, using bismuth-doped silicon, in just 32 ns: orders of magnitude shorter than previous experiments where pure nuclear states were used. The coherence times of our states are over four orders of magnitude longer, being 1 ms or more at 8 K, and are limited by the naturally-occurring 29Si nuclear spin impurities. There is quantitative agreement between our experiments and no-free-parameter anal...

  18. Nuclear magnetic resonance properties of lunar samples.

    Science.gov (United States)

    Kline, D.; Weeks, R. A.

    1972-01-01

    Nuclear magnetic resonance spectra of Na-23, Al-27, and P-31 in fines samples 10084,60 and 14163,168 and in crystalline rock samples 12021,55 and 14321,166, have been recorded over a range of frequencies up to 20 MHz. A shift in the field at which maximum absorption occurs for all of the spectra relative to the field at which maximum absorption occurs for terrestrial analogues is attributed to a sample-dependent magnetic field at the Na, Al, and P sites opposing the laboratory field. The magnitude of these fields internal to the samples is sample dependent and varies from 5 to 10 G. These fields do not correlate with the iron content of the samples. However, the presence of single-domain particles of iron distributed throughout the plagioclase fraction that contains the principal fraction of Na and Al is inferred from electron magnetic resonance spectra shapes.

  19. Thin layer and nuclear magnetic resonance magnetometers

    International Nuclear Information System (INIS)

    In the first part of this text, magnetometers with sensitive elements in the form of thin cylindrical ferromagnetic layers are described. These layers are anisotropic, uniaxial, C orientated and single domains. In the second part of the text, the principles of the nuclear magnetic resonance magnetometer realized at the LETI are presented. This instrument is accurate, of high efficiency, and isotropic. Very small variations in magnetic field intensity (10-7 oersteds) can be detected with a 1Hz pass band at zero frequency

  20. Nuclear magnetic resonance common laboratory, quadrennial report

    International Nuclear Information System (INIS)

    This quadrennial report of the nuclear magnetic resonance common laboratory gives an overview of the main activities. Among the different described activities, only one is interesting for the INIS database: it concerns the Solid NMR of cements used for radioactive wastes storage. In this case, the NMR is used to characterize the structure of the material and the composition, structure and kinetics of formation of the alteration layer which is formed at the surface of concrete during water leaching conditions. The NMR methodology is given. (O.M.)

  1. Nuclear Magnetic Resonance in Liquids and Solids

    International Nuclear Information System (INIS)

    The paper outlines the basic principles of nuclear magnetic resonance, trying wherever possible to compare and contrast the method with that of slow neutron scattering as a technique for studying the properties of condensed phases and especially of molecular and atomic motions. It is emphasized that this is not a review of nmr for an expert audience but has a pedagogical aim. It is hoped to give persons with a main interest in neutron scattering some appreciation of the scope and limitations of the nmr method. This is illustrated by recent results on one substance which covers many but by no means all of the important points. (author)

  2. A Methodology to Integrate Magnetic Resonance and Acoustic Measurements for Reservoir Characterization

    Energy Technology Data Exchange (ETDEWEB)

    Parra, Ph.D., Jorge O.

    2002-06-10

    The objective of the project was to develop an advanced imaging method, including pore scale imaging, to integrate nuclear magnetic resonance (NMR) techniques and acoustic measurements to improve predictability of the pay zone in hydrocarbon reservoirs. This will be accomplished by extracting the fluid property parameters using NMR laboratory measurements and the elastic parameters of the rock matrix from acoustic measurements to create poroelastic models of different parts of the reservoir. Laboratory measurement techniques and core imaging were linked with a balanced petrographical analysis of cores and theoretical modeling.

  3. 170 Nanometer Nuclear Magnetic Resonance Imaging using Magnetic Resonance Force Microscopy

    CERN Document Server

    Thurber, K R; Smith, D D; Thurber, Kent R.; Harrell, Lee E.; Smith, Doran D.

    2003-01-01

    We demonstrate one-dimensional nuclear magnetic resonance imaging of the semiconductor GaAs with 170 nanometer slice separation and resolve two regions of reduced nuclear spin polarization density separated by only 500 nanometers. This is achieved by force detection of the magnetic resonance, Magnetic Resonance Force Microscopy (MRFM), in combination with optical pumping to increase the nuclear spin polarization. Optical pumping of the GaAs creates spin polarization up to 12 times larger than the thermal nuclear spin polarization at 5 K and 4 T. The experiment is sensitive to sample volumes containing $\\sim 4 \\times 10^{11}$ $^{71}$Ga$/\\sqrt{Hz}$. These results demonstrate the ability of force-detected magnetic resonance to apply magnetic resonance imaging to semiconductor devices and other nanostructures.

  4. Experiments in Nuclear Magnetic Resonance Microscopy

    Science.gov (United States)

    Lee, Yong; Lu, Wei; Choi, J.-H.; Chia, H. J.; Mirsaidov, U. M.; Guchhait, S.; Cambou, A. D.; Cardenas, R.; Park, K.; Markert, J. T.

    2006-03-01

    We report our group's effort in the construction of an 8-T, ^3 He cryostat based nuclear magnetic resonance force microscope (NMRFM). The probe has two independent 3-D of piezoelectric x-y-z positioners for precise positioning of a fiber optic interferometer and a sample/gradient-producing magnet with respect to a micro-cantilever. The piezoelectric positioners have a very uniform controllable step size with virtually no backlash. A novel RF tuning circuit board design is implemented which allows us to simply swap out one RF component board with another for experiments involving different nuclear species. We successfully fabricated and are characterizing 50μm x50μm x0.2μm double torsional oscillators. We have also been characterizing ultrasoft cantilevers whose spring constant is on the order of 10-4 N/m. We also report NMRFM data for ammonium dihydrogen phosphate(ADP) at room temperature using our 1.2-T system. Observed features include the correct shift of the NMR peak with carrier frequency, increases in signal amplitude with both RF field strength and frequency modulation amplitude, and signal oscillation (spin nutation) as a function of tipping RF pulse length. Experiments in progress on NH4MgF3 (at 1.2 T) and MgB2 (at 8.1 T) will also be briefly reviewed. Robert A. Welch Foundation grant No.F-1191 and the National Science Foundation grant No. DMR-0210383.

  5. Quantum information processing and nuclear magnetic resonance

    CERN Document Server

    Cummins, H K

    2001-01-01

    as spectrometer pulse sequence programs. Quantum computers are information processing devices which operate by and exploit the laws of quantum mechanics, potentially allowing them to solve problems which are intractable using classical computers. This dissertation considers the practical issues involved in one of the more successful implementations to date, nuclear magnetic resonance (NMR). Techniques for dealing with systematic errors are presented, and a quantum protocol is implemented. Chapter 1 is a brief introduction to quantum computation. The physical basis of its efficiency and issues involved in its implementation are discussed. NMR quantum information processing is reviewed in more detail in Chapter 2. Chapter 3 considers some of the errors that may be introduced in the process of implementing an algorithm, and high-level ways of reducing the impact of these errors by using composite rotations. Novel general expressions for stabilising composite rotations are presented in Chapter 4 and a new class o...

  6. Two-dimensional nuclear magnetic resonance petrophysics.

    Science.gov (United States)

    Sun, Boqin; Dunn, Keh-Jim

    2005-02-01

    Two-dimensional nuclear magnetic resonance (2D NMR) opens a wide area for exploration in petrophysics and has significant impact to petroleum logging technology. When there are multiple fluids with different diffusion coefficients saturated in a porous medium, this information can be extracted and clearly delineated from CPMG measurements of such a system either using regular pulsing sequences or modified two window sequences. The 2D NMR plot with independent variables of T2 relaxation time and diffusion coefficient allows clear separation of oil and water signals in the rocks. This 2D concept can be extended to general studies of fluid-saturated porous media involving other combinations of two or more independent variables, such as chemical shift and T1/T2 relaxation time (reflecting pore size), proton population and diffusion contrast, etc. PMID:15833623

  7. Comparison of nuclear electric resonance and nuclear magnetic resonance in integer and fractional quantum Hall states

    International Nuclear Information System (INIS)

    Electric-field-induced nuclear resonance (NER: nuclear electric resonance) involving quantum Hall states (QHSs) was studied at various filling factors by exploiting changes in nuclear spins polarized at quantum Hall breakdown. Distinct from the magnetic dipole interaction in nuclear magnetic resonance, the interaction of the electric-field gradient with the electric quadrupole moment plays the dominant role in the NER mechanism. The magnitude of the NER signal strongly depends on whether electronic states are localized or extended. This indicates that NER is sensitive to the screening capability of the electric field associated with QHSs

  8. Comparison of nuclear electric resonance and nuclear magnetic resonance in integer and fractional quantum Hall states

    Directory of Open Access Journals (Sweden)

    Toru Tomimatsu

    2015-08-01

    Full Text Available Electric-field-induced nuclear resonance (NER: nuclear electric resonance involving quantum Hall states (QHSs was studied at various filling factors by exploiting changes in nuclear spins polarized at quantum Hall breakdown. Distinct from the magnetic dipole interaction in nuclear magnetic resonance, the interaction of the electric-field gradient with the electric quadrupole moment plays the dominant role in the NER mechanism. The magnitude of the NER signal strongly depends on whether electronic states are localized or extended. This indicates that NER is sensitive to the screening capability of the electric field associated with QHSs.

  9. Spatial localization in nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Keevil, Stephen F [Department of Medical Physics, Guy' s and St Thomas' NHS Foundation Trust, Guy' s Hospital, London, SE1 9RT (United Kingdom); Division of Imaging Sciences, King' s College London, Guy' s Campus, London, SE1 9RT (United Kingdom)

    2006-08-21

    The ability to select a discrete region within the body for signal acquisition is a fundamental requirement of in vivo NMR spectroscopy. Ideally, it should be possible to tailor the selected volume to coincide exactly with the lesion or tissue of interest, without loss of signal from within this volume or contamination with extraneous signals. Many techniques have been developed over the past 25 years employing a combination of RF coil properties, static magnetic field gradients and pulse sequence design in an attempt to meet these goals. This review presents a comprehensive survey of these techniques, their various advantages and disadvantages, and implications for clinical applications. Particular emphasis is placed on the reliability of the techniques in terms of signal loss, contamination and the effect of nuclear relaxation and J-coupling. The survey includes techniques based on RF coil and pulse design alone, those using static magnetic field gradients, and magnetic resonance spectroscopic imaging. Although there is an emphasis on techniques currently in widespread use (PRESS, STEAM, ISIS and MRSI), the review also includes earlier techniques, in order to provide historical context, and techniques that are promising for future use in clinical and biomedical applications. (topical review)

  10. NUCLEAR MAGNETIC RESONANCE STUDIES OF URANOCENES

    Energy Technology Data Exchange (ETDEWEB)

    Luke, Wayne D.; Streitwieser, Jr., Andrew

    1979-12-01

    In the past several years a substantial amount of work has been devoted toward evaluation of the contact and pseudocontact contributions to the observed isotropic shifts in H nuclear magnetic resonance (NMR) spectra of uranium(IV) organometallic compounds. One reason for interest in this area arises from using the presence of contact shifts as a prcbe for covalent character in the uranium carbon bonds in these compounds. Several extensive {sup 1}H NNR studies on Cp{sub 3} U-X compounds and less extensive studies on uranocenes have been reported. Interpretation of these results suggests that contact shifts-contribute significantly to the observed isotropic shifts. Their presence has been taken as indicative of covalent character of metal carbon bonds in these systems, but agreement is not complete. In this paper we shall review critically the work reported on uranocenes in the light of recent results and report recent work on attempted separation of the observed isotropic shifts in alkyluranocenes into contact and pseudocontact components.

  11. Evaluation of nuclear magnetic resonance spectroscopy variability

    Energy Technology Data Exchange (ETDEWEB)

    Barreto, Felipe Rodrigues; Salmon, Carlos Ernesto Garrido, E-mail: garrido@ffclrp.usp.br [Universidade de Sao Paulo (FFCLRP/USP), Ribeirao Preto, SP (Brazil). Fac. de Filisofia, Ciencias e Letras; Otaduy, Maria Concepcion Garcia [Universidade de Sao Paulo (FAMUS/USP), Sao Paulo, SP (Brazil). Fac. de Medicina. Departamento de Radiologia

    2014-11-01

    Introduction: the intrinsically high sensitivity of Magnetic Resonance Spectroscopy (MRS) causes considerable variability in metabolite quantification. In this study, we evaluated the variability of MRS in two research centers using the same model of magnetic resonance image scanner. Methods: two metabolic phantoms were created to simulate magnetic resonance spectra from in vivo hippocampus. The phantoms were filled with the same basic solution containing the following metabolites: N-acetyl-aspartate, creatine, choline, glutamate, glutamine and inositol. Spectra were acquired over 15 months on 26 acquisition dates, resulting in a total of 130 spectra per center. Results: the phantoms did not undergo any physical changes during the 15-month period. Temporal analysis from both centers showed mean metabolic variations of 3.7% in acquisitions on the same day and of 8.7% over the 15-month period. Conclusion: The low deviations demonstrated here, combined with the high specificity of Magnetic Resonance Spectroscopy, confirm that it is feasible to use this technique in multicenter studies in neuroscience research. (author)

  12. Evaluation of nuclear magnetic resonance spectroscopy variability

    International Nuclear Information System (INIS)

    Introduction: the intrinsically high sensitivity of Magnetic Resonance Spectroscopy (MRS) causes considerable variability in metabolite quantification. In this study, we evaluated the variability of MRS in two research centers using the same model of magnetic resonance image scanner. Methods: two metabolic phantoms were created to simulate magnetic resonance spectra from in vivo hippocampus. The phantoms were filled with the same basic solution containing the following metabolites: N-acetyl-aspartate, creatine, choline, glutamate, glutamine and inositol. Spectra were acquired over 15 months on 26 acquisition dates, resulting in a total of 130 spectra per center. Results: the phantoms did not undergo any physical changes during the 15-month period. Temporal analysis from both centers showed mean metabolic variations of 3.7% in acquisitions on the same day and of 8.7% over the 15-month period. Conclusion: The low deviations demonstrated here, combined with the high specificity of Magnetic Resonance Spectroscopy, confirm that it is feasible to use this technique in multicenter studies in neuroscience research. (author)

  13. Nuclear magnetic resonance data of C9H11ITe

    Science.gov (United States)

    Mikhova, B. M.

    This document is part of Part 6 `Organic Metalloid Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.

  14. Nuclear magnetic resonance data of C10H13ITe

    Science.gov (United States)

    Mikhova, B. M.

    This document is part of Part 6 `Organic Metalloid Compounds' of Subvolume D 'Chemical Shifts and Coupling Constants for Carbon-13' of Landolt-Börnstein III/35 'Nuclear Magnetic Resonance Data', Group III 'Condensed Matter'.

  15. Implementation of Quantum Logic Gates by Nuclear Magnetic Resonance Spectroscopy

    Institute of Scientific and Technical Information of China (English)

    DU Jiang-Feng; WU Ji-Hui; SHI Ming-Jun; HAN Liang; ZHOU Xian-Yi; YE Bang-Jiao; WENG Hui-Ming; HAN Rong-Dian

    2000-01-01

    Using nuclear magnetic resonance techniques with a solution of cytosine molecules, we show an implementation of certain quantum logic gates (including NOT gate, square-root of NOT gate and controlled-NOT gate), which have central importance in quantum computing. In addition, experimental results show that nuclear magnetic resonance spectroscopy can efficiently measure the result of quantum computing without attendant wave-function collapse.

  16. Dynamic nuclear polarization in a magnetic resonance force microscope experiment.

    Science.gov (United States)

    Issac, Corinne E; Gleave, Christine M; Nasr, Paméla T; Nguyen, Hoang L; Curley, Elizabeth A; Yoder, Jonilyn L; Moore, Eric W; Chen, Lei; Marohn, John A

    2016-04-01

    We report achieving enhanced nuclear magnetization in a magnetic resonance force microscope experiment at 0.6 tesla and 4.2 kelvin using the dynamic nuclear polarization (DNP) effect. In our experiments a microwire coplanar waveguide delivered radiowaves to excite nuclear spins and microwaves to excite electron spins in a 250 nm thick nitroxide-doped polystyrene sample. Both electron and proton spin resonance were observed as a change in the mechanical resonance frequency of a nearby cantilever having a micron-scale nickel tip. NMR signal, not observable from Curie-law magnetization at 0.6 T, became observable when microwave irradiation was applied to saturate the electron spins. The resulting NMR signal's size, buildup time, dependence on microwave power, and dependence on irradiation frequency was consistent with a transfer of magnetization from electron spins to nuclear spins. Due to the presence of an inhomogeneous magnetic field introduced by the cantilever's magnetic tip, the electron spins in the sample were saturated in a microwave-resonant slice 10's of nm thick. The spatial distribution of the nuclear polarization enhancement factor ε was mapped by varying the frequency of the applied radiowaves. The observed enhancement factor was zero for spins in the center of the resonant slice, was ε = +10 to +20 for spins proximal to the magnet, and was ε = -10 to -20 for spins distal to the magnet. We show that this bipolar nuclear magnetization profile is consistent with cross-effect DNP in a ∼10(5) T m(-1) magnetic field gradient. Potential challenges associated with generating and using DNP-enhanced nuclear magnetization in a nanometer-resolution magnetic resonance imaging experiment are elucidated and discussed. PMID:26964007

  17. Dynamic nuclear polarization in a magnetic resonance force microscope experiment.

    Science.gov (United States)

    Issac, Corinne E; Gleave, Christine M; Nasr, Paméla T; Nguyen, Hoang L; Curley, Elizabeth A; Yoder, Jonilyn L; Moore, Eric W; Chen, Lei; Marohn, John A

    2016-04-01

    We report achieving enhanced nuclear magnetization in a magnetic resonance force microscope experiment at 0.6 tesla and 4.2 kelvin using the dynamic nuclear polarization (DNP) effect. In our experiments a microwire coplanar waveguide delivered radiowaves to excite nuclear spins and microwaves to excite electron spins in a 250 nm thick nitroxide-doped polystyrene sample. Both electron and proton spin resonance were observed as a change in the mechanical resonance frequency of a nearby cantilever having a micron-scale nickel tip. NMR signal, not observable from Curie-law magnetization at 0.6 T, became observable when microwave irradiation was applied to saturate the electron spins. The resulting NMR signal's size, buildup time, dependence on microwave power, and dependence on irradiation frequency was consistent with a transfer of magnetization from electron spins to nuclear spins. Due to the presence of an inhomogeneous magnetic field introduced by the cantilever's magnetic tip, the electron spins in the sample were saturated in a microwave-resonant slice 10's of nm thick. The spatial distribution of the nuclear polarization enhancement factor ε was mapped by varying the frequency of the applied radiowaves. The observed enhancement factor was zero for spins in the center of the resonant slice, was ε = +10 to +20 for spins proximal to the magnet, and was ε = -10 to -20 for spins distal to the magnet. We show that this bipolar nuclear magnetization profile is consistent with cross-effect DNP in a ∼10(5) T m(-1) magnetic field gradient. Potential challenges associated with generating and using DNP-enhanced nuclear magnetization in a nanometer-resolution magnetic resonance imaging experiment are elucidated and discussed.

  18. GEOCHEMICAL CONTROLS ON NUCLEAR MAGNETIC RESONANCE MEASUREMENTS

    International Nuclear Information System (INIS)

    Proton nuclear magnetic resonance (NMR) is used in the Earth Sciences as a means of obtaining information about the molecular-scale environment of fluids in porous geological materials. Laboratory experiments were conducted to advance our fundamental understanding of the link between the NMR response and the geochemical properties of geological materials. In the first part of this research project, we studied the impact of both the surface-area-to-volume ratio (S/V) of the pore space and the surface relaxivity on the NMR response of fluids in sand-clay mixtures. This study highlighted the way in which these two parameters control our ability to use NMR measurements to detect and quantify fluid saturation in multiphase saturated systems. The second part of the project was designed to explore the way in which the mineralogic form of iron, as opposed to simply the concentration of iron, affects the surface relaxation rate and, more generally, the NMR response of porous materials. We found that the magnitude of the surface relaxation rate was different for the various iron-oxide minerals because of changes in both the surface-area-to-volume ratio of the pore space, and the surface relaxivity. Of particular significance from this study was the finding of an anomalously large surface relaxivity of magnetite compared to that of the other iron minerals. Differences in the NMR response of iron minerals were seen in column experiments during the reaction of ferrihydrite-coated quartz sand with aqueous Fe(II) solutions to form goethite, lepidocrocite and magnetite; indicating the potential use of NMR as a means of monitoring geochemical reactions. The final part of the research project investigated the impact of heterogeneity, at the pore-scale, on the NMR response. This work highlighted the way in which the geochemistry, by controlling the surface relaxivity, has a significant impact on the link between NMR data and the microgeometry of the pore space.

  19. Nuclear magnetic resonance imaging in brain tumors

    International Nuclear Information System (INIS)

    Full text: Magnetic resonance imaging (MRI) is a non-invasive imaging method based on the detecting signal from hydrogen nuclei of water molecules and fat. Performances of MRI are continuously increasing, and its domains of investigation of the human body are growing in both morphological and functional study. MRI also allows It also performing advanced management of tumours especially in the brain, by combining anatomical information (morphological MRI), functional (diffusion, perfusion and BOLD contrast) and metabolic (tissue composition in magnetic resonance spectroscopy (MRS)). The MRI techniques have an important role in cancerology. These techniques allow essential information for the diagnosis and answering therapist's questions before, during or after the treatment. The MR allows clarifying the localization of expanding processes, the differential diagnosis between brain tumour and a lesion confined by another structural aspect, the diagnosis of the tumoral aspect of a lesion, the histological ranking in case of glial tumour and the extension of its localization as well as the therapeutic follow-up (pre-therapeutic and post-therapeutics assessments). A better combination between the morphological, functional and metabolic studies, as well as integrating new technical developments, especially while using a multichannel bird cage coils the 3T magnet and suitable computing software, would allow significant improvements of the exploration strategies and management of brain tumors.

  20. In vivo nuclear magnetic resonance imaging

    Science.gov (United States)

    Leblanc, A.

    1986-01-01

    During the past year the Woodlands Baylor Magnetic Resonance Imaging (MRI) facility became fully operational. A detailed description of this facility is given. One significant instrument addition this year was the 100 MHz, 40cm bore superconducting imaging spectrometer. This instrument gives researchers the capability to acquire high energy phosphate spectra. This will be used to investigate ATP, phosphocreatinine and inorganic phosphate changes in normal and atrophied muscle before, during and after exercise. An exercise device for use within the bore of the imaging magnet is under design/construction. The results of a study of T sub 1 and T sub 2 changes in atrophied muscle in animals and human subjects are given. The imaging and analysis of the lower leg of 15 research subjects before and after 5 weeks of complete bedrest was completed. A compilation of these results are attached.

  1. Corotational instability, magnetic resonances and global inertial-acoustic oscillations in magnetized black hole accretion discs

    Science.gov (United States)

    Fu, Wen; Lai, Dong

    2011-01-01

    Low-order, non-axisymmetric p-modes (also referred as inertial-acoustic modes) in hydrodynamic accretion discs around black holes are plausible candidates for high-frequency quasi-periodic oscillations (QPOs) observed in a number of accreting black hole systems. These modes are trapped in the innermost region of the accretion disc, and are subject to global instabilities due to wave absorption at the corotation resonance (where the wave pattern frequency ω/m equals the disc rotation rate Ω), when the fluid vortensity, ζ=κ2/(2ΩΣ) (where κ and Σ are the radial epicyclic frequency and disc surface density, respectively), has a positive gradient. We investigate the effects of disc magnetic fields on the wave absorption at corotation and the related wave super-reflection of the corotation barrier, and on the overstability of disc p-modes. In general, in the presence of magnetic fields, the p-modes have the character of inertial-fast magnetosonic waves in their propagation zone. For discs with a pure toroidal field, the corotation resonance is split into two magnetic resonances, where the wave frequency in the corotating frame of the fluid, ?, matches the slow magnetosonic wave frequency. Significant wave energy/angular momentum absorption occurs at both magnetic resonances, but with opposite signs, such that one of them enhances the super-reflection while the other diminishes it. The combined effect of the two magnetic resonances is to reduce the super-reflection and the growth rate of the overstable p-modes. Our calculations show that even a subthermal toroidal field (with the magnetic pressure less than the gas pressure) may suppress the overstability of hydrodynamic (B= 0) p-modes. For accretion discs with mixed (toroidal and vertical) magnetic fields, two additional Alfvén resonances appear, where ? matches the local Alfvén wave frequency. The effect of these additional resonances is to further reduce or diminish the growth rate of p-modes. Our results

  2. Observation of the uranium 235 nuclear magnetic resonance signal

    OpenAIRE

    Le Bail, H.; Chachaty, C.; Rigny, P.; Bougon, R.

    1983-01-01

    The first observation of the nuclear magnetic resonance of the uranium 235 is reported. It has been performed on pure liquid uranium hexafluoride at 380 K. The measured magnetogyric ratio is | γ(235U) | = 492.6 ± 0.2 rad.s-1 G-1.

  3. Selection of planes in nuclear magnetic resonance tomography

    International Nuclear Information System (INIS)

    A prototype aiming to obtain images in nuclear magnetic resonance tomography was developed, by adjusting NMR spectrometer in the IFQSC Laboratory. The techniques for selecting planes were analysed by a set of computer codes, which were elaborated from Bloch equation solutions to simulate the spin system behaviour. Images were obtained using planes with thickness inferior to 1 cm. (M.C.K.)

  4. C-13 nuclear magnetic resonance in organic geochemistry.

    Science.gov (United States)

    Balogh, B.; Wilson, D. M.; Burlingame, A. L.

    1972-01-01

    Study of C-13 nuclear magnetic resonance (NMR) spectra of polycyclic fused systems. The fingerprint qualities of the natural abundance in C-13 NMR spectra permitting unequivocal identification of these compounds is discussed. The principle of structural additivity of C-13 NMR information is exemplified on alpha and beta androstanes, alpha and beta cholestanes, ergostanes, sitostanes, and isodecanes.

  5. Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

    Science.gov (United States)

    Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.

    2006-01-01

    A laboratory experiment is presented for the upper-level undergraduate physical chemistry curriculum in which the ternary phase diagram of water, 1-propanol and n-heptane is measured using proton nuclear magnetic resonance (NMR) spectroscopy. The experiment builds upon basic concepts of NMR spectral analysis, typically taught in the undergraduate…

  6. Nuclear Magnetic Resonance Coupling Constants and Electronic Structure in Molecules.

    Science.gov (United States)

    Venanzi, Thomas J.

    1982-01-01

    Theory of nuclear magnetic resonance spin-spin coupling constants and nature of the three types of coupling mechanisms contributing to the overall spin-spin coupling constant are reviewed, including carbon-carbon coupling (neither containing a lone pair of electrons) and carbon-nitrogen coupling (one containing a lone pair of electrons).…

  7. Yeast Lipid Estimation by Enzymatic and Nuclear Magnetic Resonance Methods

    OpenAIRE

    Moreton, R. S.

    1989-01-01

    Low-resolution nuclear magnetic resonance and enzymatic glycerol estimation were compared with a solvent extraction method for estimating the intracellular lipid content of lipid-accumulating yeasts. Both methods correlated well with the solvent extraction procedure and were more convenient with large numbers of samples.

  8. Rotating-frame gradient fields for magnetic resonance imaging and nuclear magnetic resonance in low fields

    Science.gov (United States)

    Bouchard, Louis-Serge; Pines, Alexander; Demas, Vasiliki

    2014-01-21

    A system and method for Fourier encoding a nuclear magnetic resonance (NMR) signal is disclosed. A static magnetic field B.sub.0 is provided along a first direction. An NMR signal from the sample is Fourier encoded by applying a rotating-frame gradient field B.sub.G superimposed on the B.sub.0, where the B.sub.G comprises a vector component rotating in a plane perpendicular to the first direction at an angular frequency .omega.in a laboratory frame. The Fourier-encoded NMR signal is detected.

  9. 13. Nuclear magnetic resonance users meeting. Extended abstracts book

    International Nuclear Information System (INIS)

    This annual meeting, held in Brazil from May 2 - 6, 2011 comprised seventeen lectures, given by invited speakers from Brazil and other countries, about the use of nuclear magnetic resonance for various analytical purposes; results from ninety five research works, most being carried out by scientific groups from various Brazilian R and D institutions, presented as congress panels/posters. A General Assembly meeting of AUREMN, the Brazilian Association of Nuclear Magnetic Resonance Users, also took place during the event. Main topics of the research works presented at this meeting were thus distributed: 54% in analytical chemistry (mainly organic chemistry, both experimental and theoretical works), 18% in applied life sciences (agricultural and food sciences, biological sciences and medicine), 15% in materials science (including nanostructures, petroleum and alternative fuels), 10% in mathematical methods and computing for the interpretation of NMR data, and the remaining 3% in improvements in instrumentation interfaces or magnetic field configurations.

  10. 13. Nuclear magnetic resonance users meeting. Extended abstracts book

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2011-07-01

    This annual meeting, held in Brazil from May 2 - 6, 2011 comprised seventeen lectures, given by invited speakers from Brazil and other countries, about the use of nuclear magnetic resonance for various analytical purposes; results from ninety five research works, most being carried out by scientific groups from various Brazilian R and D institutions, presented as congress panels/posters. A General Assembly meeting of AUREMN, the Brazilian Association of Nuclear Magnetic Resonance Users, also took place during the event. Main topics of the research works presented at this meeting were thus distributed: 54% in analytical chemistry (mainly organic chemistry, both experimental and theoretical works), 18% in applied life sciences (agricultural and food sciences, biological sciences and medicine), 15% in materials science (including nanostructures, petroleum and alternative fuels), 10% in mathematical methods and computing for the interpretation of NMR data, and the remaining 3% in improvements in instrumentation interfaces or magnetic field configurations.

  11. Imaging using long range dipolar field effects Nuclear magnetic resonance

    CERN Document Server

    Gutteridge, S

    2002-01-01

    The work in this thesis has been undertaken by the except where indicated in reference, within the Magnetic Resonance Centre, at the University of Nottingham during the period from October 1998 to March 2001. This thesis details the different characteristics of the long range dipolar field and its application to magnetic resonance imaging. The long range dipolar field is usually neglected in nuclear magnetic resonance experiments, as molecular tumbling decouples its effect at short distances. However, in highly polarised samples residual long range components have a significant effect on the evolution of the magnetisation, giving rise to multiple spin echoes and unexpected quantum coherences. Three applications utilising these dipolar field effects are documented in this thesis. The first demonstrates the spatial sensitivity of the signal generated via dipolar field effects in structured liquid state samples. The second utilises the signal produced by the dipolar field to create proton spin density maps. Thes...

  12. The Fourier Transform in Chemistry. Part 1. Nuclear Magnetic Resonance: Introduction.

    Science.gov (United States)

    King, Roy W.; Williams, Kathryn R.

    1989-01-01

    Using fourier transformation methods in nuclear magnetic resonance has made possible increased sensitivity in chemical analysis. This article describes these methods as they relate to magnetization, the RF magnetic field, nuclear relaxation, the RF pulse, and free induction decay. (CW)

  13. Experimental Implementation of Remote State Preparation by Nuclear Magnetic Resonance

    OpenAIRE

    Peng, Xinhua; Zhu, Xiwen; Fang, Ximing; Feng, Mang; Liu, Maili; Gao, Kelin

    2002-01-01

    We have experimentally implemented remote state preparation (RSP) of a qubit from a hydrogen to a carbon nucleus in molecules of carbon-13 labeled chloroform $^{13}$CHCl$_{3}$ over interatomic distances using liquid-state nuclear magnetic resonance (NMR) technique. Full RSP of a special ensemble of qubits, i.e., a qubit chosen from equatorial and polar great circles on a Bloch sphere with Pati's scheme, was achieved with one cbit communication. Such a RSP scheme can be generalized to prepare ...

  14. Experimental implementation of remote state preparation by nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Peng Xinhua; Zhu Xiwen; Fang Ximing; Feng Mang; Liu Maili; Gao Kelin

    2003-01-13

    We have experimentally implemented remote state preparation of a qubit from a hydrogen to a carbon nucleus in molecules of carbon-13 labeled chloroform {sup 13}CHCl{sub 3} over interatomic distances using liquid-state nuclear magnetic resonance techniques. Full RSP of a special ensemble of qubits, i.e., a qubit chosen from either an equatorial or a polar great circle on a Bloch sphere with Pati's scheme, was achieved with one cbit communication.

  15. Demonstration of Quantum Entanglement Control Using Nuclear Magnetic Resonance

    Institute of Scientific and Technical Information of China (English)

    XIE Jing-Yi; ZHANG Jing-Fu; DENG Zhi-Wei; LU Zhi-Heng

    2004-01-01

    @@ With the two forms of the quantum entanglement control, the quantum entanglement swapping and preservation are demonstrated in a three-qubit nuclear magnetic resonance quantum computer. The pseudopure state is prepared to represent the quantum entangled states through macroscopic signals. Entanglement swapping is directly realized by a swap operation. By controlling the interactions between the system and its environment,we can preserve an initial entangled state for a longer time. The experimental results are in agreement with the experiment.

  16. Clinical applications of nuclear magnetic resonance spectroscopy: a review

    International Nuclear Information System (INIS)

    The advantages and present limitations of the clinical applications of nuclear magnetic resonance spectroscopy are reviewed in outline, with passing references to skeletal muscular studies, in particular a group of children with advanced Duchenne dystrophy, and the applications to the study of cerebral metabolism of neonates, excised kidneys, biopsy studies of breast and axillary lymph node samples, and NMR spectroscopy performed during chemotherapy of a secondary rhabdomyosarcoma in the skin. (U.K.)

  17. Nonadiabatic Geometric Angle in Nuclear Magnetic Resonance Connection

    OpenAIRE

    Cherbal, Omar; Maamache, Mustapha; Drir, Mahrez

    2005-01-01

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

  18. Nuclear magnetic resonance imaging at microscopic resolution

    Science.gov (United States)

    Johnson, G. Allan; Thompson, Morrow B.; Gewalt, Sally L.; Hayes, Cecil E.

    Resolution limits in NMR imaging are imposed by bandwidth considerations, available magnetic gradients for spatial encoding, and signal to noise. This work reports modification of a clinical NMR imaging device with picture elements of 500 × 500 × 5000 μm to yield picture elements of 50 × 50 × 1000 μm. Resolution has been increased by using smaller gradient coils permitting gradient fields >0.4 mT/cm. Significant improvements in signal to noise are achieved with smaller rf coils, close attention to choice of bandwidth, and signal averaging. These improvements permit visualization of anatomical structures in the rat brain with an effective diameter of 1 cm with the same definition as is seen in human imaging. The techniques and instrumentation should open a number of basic sciences such as embryology, plant sciences, and teratology to the potentials of NMR imaging.

  19. Design and construction of a nuclear magnetic resonator circuit

    International Nuclear Information System (INIS)

    It is described the operation of a feedback circuit that it using the nuclear resonance phenomena and that covers a broad sweeping interval in frequency with a minimum adjustment of the circuit elements and it produces an appropriate nuclear absorption for a sign relation at reasonable noise. The circuit is an oscillator amplifier modulated that it is based its sensibility and stability in an inductive-capacitive arrangement in parallel and always operate in resonant condition, in such a way that the quality factor of Q arrangement has been very elevated. Thus when the nuclear absorption occurs it is producing a fall of Q effective. The oscillation amplitude is controllable and it maintains in a convenient value over the operation interval using control by feedback. The circuit uses a configuration 'Auto dyne Hop kin' that it suffers as a follower of inductive charge, which have the main characteristic of to cause a negative resistance that it appears through the tuning circuit. It is introduced a control for feedback via two trajectories, the first by differential pair for to maintain the amplitude level in RF and the second for to stability a band wide interval in the modulation condition. It is necessary since the RF signal value must have a value to excite the specimen nucleus without to carry to saturate it and that the permanence in the absorption region was appropriate. Between applications of the nuclear magnetic resonance phenomena we have the magnetic fields measurements, physicochemical molecular properties studies, training and medical instrumentation. (Author)

  20. Nuclear Magnetic Resonance with the Distant Dipolar Field

    CERN Document Server

    Corum, C A

    2005-01-01

    Distant dipolar field (DDF)-based nuclear magnetic resonance is an active research area with many fundamental properties still not well understood. Already several intriguing applications have developed, like HOMOGENIZED and IDEAL spectroscopy, that allow high resolution spectra to be obtained in inhomogeneous fields, such as in-vivo. The theoretical and experimental research in this thesis concentrates on the fundamental signal properties of DDF-based sequences in the presence of relaxation (T1 and T2) and diffusion. A general introduction to magnetic resonance phenomenon is followed by a more in depth introduction to the DDF and its effects. A novel analytical signal equation has been developed to describe the effects of T2 relaxation and diffusing spatially modulated longitudinal spins during the signal build period of an HOMOGENIZED cross peak. Diffusion of the longitudinal spins results in a lengthening of the effective dipolar demagnetization time, delaying the re-phasing of coupled anti-phase states in...

  1. High resolution spectroscopy in solids by nuclear magnetic resonance

    International Nuclear Information System (INIS)

    The nuclear magnetic resonance (NMR) techniques for High Resolution Spectroscopy in Solids are described. Also the construction project of a partially home made spectrometer and its applications in the characterization of solid samples are shown in detail. The high resolution spectrometer used is implemented with the double resonance multiple pulses sequences and magic angle spinning (MAS) and can be used with solid and liquid samples. The maximum spinning frequency for the MAS experiment is in excess of 5 Khz, the double resonance sequences can be performed with any type of nucleus, in the variable temperature operating range with nitrogen gas: -1200 C to +1600 C, and is fully controlled by a Macintosh IIci microcomputer. (author)

  2. Quantitative velocity distributions via nuclear magnetic resonance flow metering

    Science.gov (United States)

    O'Neill, Keelan T.; Fridjonsson, Einar O.; Stanwix, Paul L.; Johns, Michael L.

    2016-08-01

    We demonstrate the use of Tikhonov regularisation as a data inversion technique to determine the velocity distributions of flowing liquid streams. Regularisation is applied to the signal produced by a nuclear magnetic resonance (NMR) flow measurement system consisting of a pre-polarising permanent magnet located upstream of an Earth's magnetic field NMR detection coil. A simple free induction decay (FID) NMR signal is measured for the flowing stream in what is effectively a 'time-of-flight' measurement. The FID signal is then modelled as a function of fluid velocity and acquisition time, enabling determination of the velocity probability distributions via regularisation. The mean values of these velocity distributions were successfully validated against in-line rotameters. The ability to quantify multi-modal velocity distributions was also demonstrated using a two-pipe system.

  3. Parahydrogen enhanced zero-field nuclear magnetic resonance

    CERN Document Server

    Theis, Thomas; Kervern, Gwendal; Knappe, Svenja; Kitching, John; Ledbetter, Micah; Budker, Dmitry; Pines, Alex

    2011-01-01

    Nuclear magnetic resonance (NMR), conventionally detected in multi-tesla magnetic fields, is a powerful analytical tool for the determination of molecular identity, structure, and function. With the advent of prepolarization methods and alternative detection schemes using atomic magnetometers or superconducting quantum interference devices (SQUIDs), NMR in very low- (~earth's field), and even zero-field, has recently attracted considerable attention. Despite the use of SQUIDs or atomic magnetometers, low-field NMR typically suffers from low sensitivity compared to conventional high-field NMR. Here we demonstrate direct detection of zero-field NMR signals generated via parahydrogen induced polarization (PHIP), enabling high-resolution NMR without the use of any magnets. The sensitivity is sufficient to observe spectra exhibiting 13C-1H J-couplings in compounds with 13C in natural abundance in a single transient. The resulting spectra display distinct features that have straightforward interpretation and can be...

  4. Applications of nuclear magnetic resonance sensors to cultural heritage.

    Science.gov (United States)

    Proietti, Noemi; Capitani, Donatella; Di Tullio, Valeria

    2014-01-01

    In recent years nuclear magnetic resonance (NMR) sensors have been increasingly applied to investigate, characterize and monitor objects of cultural heritage interest. NMR is not confined to a few specific applications, but rather its use can be successfully extended to a wide number of different cultural heritage issues. A breakthrough has surely been the recent development of portable NMR sensors which can be applied in situ for non-destructive and non-invasive investigations. In this paper three studies illustrating the potential of NMR sensors in this field of research are reported.

  5. Applications of nuclear magnetic resonance spectroscopy to certifiable food colors

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance spectroscopy was found suitable for the identification of individual colours, for distinguishing individual colours from colour mixtures, for the identification and semi-quantitative determination of the individual colours in mixtures and for proofs of the adulteration of certified colours adding noncertified colours. The method is well suited for observing the purity of colours and may also be used as the control method in the manufacture of colours and in assessing their stability and their resistance to increased temperature and light. (M.K.)

  6. Experimental Implementation of Remote State Preparation by Nuclear Magnetic Resonance

    CERN Document Server

    Peng, X; Fang, X; Feng, M; Liu, M; Gao, K; Peng, Xinhua; Zhu, Xiwen; Fang, Ximing; Feng, Mang; Liu, Maili; Gao, Kelin

    2003-01-01

    We have experimentally implemented remote state preparation (RSP) of a qubit from a hydrogen to a carbon nucleus in molecules of carbon-13 labeled chloroform $^{13}$CHCl$_{3}$ over interatomic distances using liquid-state nuclear magnetic resonance (NMR) technique. Full RSP of a special ensemble of qubits, i.e., a qubit chosen from equatorial and polar great circles on a Bloch sphere with Pati's scheme, was achieved with one cbit communication. Such a RSP scheme can be generalized to prepare a large number of qubit states and may be used in other quantum information processing and quantum computing.

  7. Implementation of Quantum Private Queries Using Nuclear Magnetic Resonance

    Institute of Scientific and Technical Information of China (English)

    WANG Chuan; HAO Liang; ZHAO Lian-Jie

    2011-01-01

    @@ We present a modified protocol for the realization of a quantum private query process on a classical database.Using one-qubit query and CNOT operation,the query process can be realized in a two-mode database.In the query process,the data privacy is preserved as the sender would not reveal any information about the database besides her query information,and the database provider cannot retain any information about the query.We implement the quantum private query protocol in a nuclear magnetic resonance system.The density matrix of the memory registers are constructed.

  8. Capacitor-based detection of nuclear magnetization: nuclear quadrupole resonance of surfaces.

    Science.gov (United States)

    Gregorovič, Alan; Apih, Tomaž; Kvasić, Ivan; Lužnik, Janko; Pirnat, Janez; Trontelj, Zvonko; Strle, Drago; Muševič, Igor

    2011-03-01

    We demonstrate excitation and detection of nuclear magnetization in a nuclear quadrupole resonance (NQR) experiment with a parallel plate capacitor, where the sample is located between the two capacitor plates and not in a coil as usually. While the sensitivity of this capacitor-based detection is found lower compared to an optimal coil-based detection of the same amount of sample, it becomes comparable in the case of very thin samples and even advantageous in the proximity of conducting bodies. This capacitor-based setup may find its application in acquisition of NQR signals from the surface layers on conducting bodies or in a portable tightly integrated nuclear magnetic resonance sensor.

  9. A personal computer-based nuclear magnetic resonance spectrometer

    Science.gov (United States)

    Job, Constantin; Pearson, Robert M.; Brown, Michael F.

    1994-11-01

    Nuclear magnetic resonance (NMR) spectroscopy using personal computer-based hardware has the potential of enabling the application of NMR methods to fields where conventional state of the art equipment is either impractical or too costly. With such a strategy for data acquisition and processing, disciplines including civil engineering, agriculture, geology, archaeology, and others have the possibility of utilizing magnetic resonance techniques within the laboratory or conducting applications directly in the field. Another aspect is the possibility of utilizing existing NMR magnets which may be in good condition but unused because of outdated or nonrepairable electronics. Moreover, NMR applications based on personal computer technology may open up teaching possibilities at the college or even secondary school level. The goal of developing such a personal computer (PC)-based NMR standard is facilitated by existing technologies including logic cell arrays, direct digital frequency synthesis, use of PC-based electrical engineering software tools to fabricate electronic circuits, and the use of permanent magnets based on neodymium-iron-boron alloy. Utilizing such an approach, we have been able to place essentially an entire NMR spectrometer console on two printed circuit boards, with the exception of the receiver and radio frequency power amplifier. Future upgrades to include the deuterium lock and the decoupler unit are readily envisioned. The continued development of such PC-based NMR spectrometers is expected to benefit from the fast growing, practical, and low cost personal computer market.

  10. Nuclear Magnetic Resonance Imaging of Li-ion Battery

    Directory of Open Access Journals (Sweden)

    D. Ohno

    2010-12-01

    Full Text Available Nuclear magnetic resonance (NMR imaging has high sensitivity to proton (1H and lithium (7Li. It is a useful measurement for electrolyte in Li-ion battery. 1H NMR images of lithium ion battery which is composed of LiMn2O4 / LiClO4 + propylene carbonate (PC / Li-metal have been studied. 1H NMR images of electrolyte near cathode material (LiMn2O4 showed anomalous intensity distribution, which was quite inhomogeneous. From NMR images as a function of repetition time (TR, it was concluded that the anomalous intensity distribution was not due to change of relaxation time but an indirect (spatial para-magnetization effect from cathode material. The paramagnetization induced by high magnetic field distorts linearity of magnetic gradient field, leading to apparent intensity variance. This functional image is an easy diagnostic measurement for magnetization of cathode material, which allows the possibility to check uniformity of cathode material and change of magnetization under electrochemical process.

  11. On the quantumness of correlations in nuclear magnetic resonance

    CERN Document Server

    Soares-Pinto, D O; Maziero, J; Gavini-Viana, A; Serra, R M; Céleri, L C

    2012-01-01

    Nuclear Magnetic Resonance (NMR) was successfully employed to test several protocols and ideas in Quantum Information Science. In most of these implementations the existence of entanglement was ruled out. This fact introduced concerns and questions about the quantum nature of such bench tests. In this article we address some issues related to the non-classical aspects of NMR systems. We discuss some experiments where the quantum aspects of this system are supported by quantum correlations of separable states. Such quantumness, beyond the entanglement-separability paradigm, is revealed via a departure between the quantum and the classical versions of information theory. In this scenario, the concept of quantum discord seems to play an important role. We also present an experimental implementation of an analogous of the single-photon Mach-Zehnder interferometer employing two nuclear spins to encode the interferometric paths. This experiment illustrate how non-classical correlations of separable states may be us...

  12. Investigating the emotional response to room acoustics: A functional magnetic resonance imaging study.

    Science.gov (United States)

    Lawless, M S; Vigeant, M C

    2015-10-01

    While previous research has demonstrated the powerful influence of pleasant and unpleasant music on emotions, the present study utilizes functional magnetic resonance imaging (fMRI) to assess the positive and negative emotional responses as demonstrated in the brain when listening to music convolved with varying room acoustic conditions. During fMRI scans, subjects rated auralizations created in a simulated concert hall with varying reverberation times. The analysis detected activations in the dorsal striatum, a region associated with anticipation of reward, for two individuals for the highest rated stimulus, though no activations were found for regions associated with negative emotions in any subject. PMID:26520354

  13. A METHODOLOGY TO INTEGRATE MAGNETIC RESONANCE AND ACOUSTIC MEASUREMENTS FOR RESERVOIR CHARACTERIZATION

    Energy Technology Data Exchange (ETDEWEB)

    Jorge O. Parra; Chris L. Hackert; Lorna L. Wilson

    2002-09-20

    The work reported herein represents the third year of development efforts on a methodology to interpret magnetic resonance and acoustic measurements for reservoir characterization. In this last phase of the project we characterize a vuggy carbonate aquifer in the Hillsboro Basin, Palm Beach County, South Florida, using two data sets--the first generated by velocity tomography and the second generated by reflection tomography. First, we integrate optical macroscopic (OM), scanning electron microscope (SEM) and x-ray computed tomography (CT) images, as well as petrography, as a first step in characterizing the aquifer pore system. This pore scale integration provides information with which to evaluate nuclear magnetic resonance (NMR) well log signatures for NMR well log calibration, interpret ultrasonic data, and characterize flow units at the field scale between two wells in the aquifer. Saturated and desaturated NMR core measurements estimate the irreducible water in the rock and the variable T{sub 2} cut-offs for the NMR well log calibration. These measurements establish empirical equations to extract permeability from NMR well logs. Velocity and NMR-derived permeability and porosity relationships integrated with velocity tomography (based on crosswell seismic measurements recorded between two wells 100 m apart) capture two flow units that are supported with pore scale integration results. Next, we establish a more detailed picture of the complex aquifer pore structures and the critical role they play in water movement, which aids in our ability to characterize not only carbonate aquifers, but reservoirs in general. We analyze petrography and cores to reveal relationships between the rock physical properties that control the compressional and shear wave velocities of the formation. A digital thin section analysis provides the pore size distributions of the rock matrix, which allows us to relate pore structure to permeability and to characterize flow units at the

  14. Explosives Detection Using Magnetic and Nuclear Resonance Techniques

    CERN Document Server

    Fraissard, Jacques

    2009-01-01

    Nuclear quadrupole resonance (NQR) a highly promising new technique for bulk explosives detection: relatively inexpensive, more compact than NMR, but with considerable selectivity. Since the NQR frequency is insensitive to long-range variations in composition, mixing explosives with other materials, such as the plasticizers in plastic explosives, makes no difference. The NQR signal strength varies linearly with the amount of explosive, and is independent of its distribution within the volume monitored. NQR spots explosive types in configurations missed by the X-ray imaging method. But if NQR is so good, why it is not used everywhere? Its main limitation is the low signal-to-noise ratio, particularly with the radio-frequency interference that exists in a field environment, NQR polarization being much weaker than that from an external magnetic field. The distinctive signatures are there, but are difficult to extract from the noise. In addition, the high selectivity is partly a disadvantage, as it is hard to bui...

  15. Nuclear magnetic resonance spectral analysis and molecular properties of berberine

    Science.gov (United States)

    Huang, Ming-Ju; Lee, Ken S.; Hurley, Sharon J.

    An extensive theoretical study of berberine has been performed at the ab initio HF/6-31G**, HF/6-311G**, and B3LYP/6-311G** levels with and without solvent effects. The optimized structures are compared with X-ray data. We found that the optimized structures with solvent effects are in slightly better agreement with X-ray data than those without solvent effects. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of berberine were calculated by using the gauge-independent atomic orbital (GIAO) (with and without solvent effects), CSGT, and IGAIM methods. The calculated chemical shifts were compared with the two-dimensional NMR experimental data. Overall, the calculated chemical shifts show very good agreement with the experimental results. The harmonic vibrational frequencies for berberine were calculated at the B3LYP/6-311G** level.

  16. Applications of nuclear magnetic resonance imaging in process engineering

    Science.gov (United States)

    Gladden, Lynn F.; Alexander, Paul

    1996-03-01

    During the past decade, the application of nuclear magnetic resonance (NMR) imaging techniques to problems of relevance to the process industries has been identified. The particular strengths of NMR techniques are their ability to distinguish between different chemical species and to yield information simultaneously on the structure, concentration distribution and flow processes occurring within a given process unit. In this paper, examples of specific applications in the areas of materials and food processing, transport in reactors and two-phase flow are discussed. One specific study, that of the internal structure of a packed column, is considered in detail. This example is reported to illustrate the extent of new, quantitative information of generic importance to many processing operations that can be obtained using NMR imaging in combination with image analysis.

  17. Diffusion Pore Imaging by Hyperpolarized Xenon-129 Nuclear Magnetic Resonance

    CERN Document Server

    Kuder, Tristan Anselm; Windschuh, Johannes; Laun, Frederik Bernd

    2012-01-01

    Nuclear magnetic resonance (NMR) diffusion measurements are widely used to derive parameters indirectly related to the microstructure of biological tissues and porous media. However, a direct imaging of cell or pore shapes and sizes would be of high interest. For a long time, determining pore shapes by NMR diffusion acquisitions seemed impossible, because the necessary phase information could not be preserved. Here we demonstrate experimentally using the measurement technique which we have recently proposed theoretically that the shape of arbitrary closed pores can be imaged by diffusion acquisitions, which yield the phase information. For this purpose, we use hyperpolarized xenon gas in well-defined geometries. The signal can be collected from the whole sample which mainly eliminates the problem of vanishing signal at increasing resolution of conventional NMR imaging. This could be used to non-invasively gain structural information inaccessible so far such as pore or cell shapes, cell density or axon integri...

  18. Nuclear magnetic resonance spectroscopy of single subnanoliter ova

    CERN Document Server

    Grisi, Marco; Guidetti, Roberto; Harris, Nicola; Boero, Giovanni

    2015-01-01

    Nuclear magnetic resonance (NMR) spectroscopy is, in principle, a promising candidate to study the intracellular chemistry of single microscopic living entities. However, due to sensitivity limitations, NMR experiments were reported only on very few and relatively large single cells down to a minimum volume of 10 nl. Here we show NMR spectroscopy of single ova at volume scales (0.1 and 0.5 nl) where life development begins for a broad variety of animals, humans included. We demonstrate that the sensitivity achieved by miniaturized inductive NMR probes (few pmol of 1H nuclei in some hours at 7 T) is sufficient to observe chemical heterogeneities among subnanoliter ova of tardigrades. Such sensitivities should allow to non-invasively monitor variations of concentrated intracellular compounds, such as glutathione, in single mammalian zygotes.

  19. High field nuclear magnetic resonance application to polysaccharide chemistry

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance has been applied to polysaccharide chemistry using time averaging technique and high fields (100 and 250 MHz). The three methyl signals of methyl cellulose and cellulose triacetate are separated, and the C-6 substituent has been identified. Biosynthesis of bacterial cellulose has been performed using deuterium labelled D-glucose and Acetobacter xylinum. Per-acetylated derivative of bacterial cellulose has been studied by NMR; this study permitted us to determine the quantity of deuterium on each position of the anhydro-glucose unit in the polymer. NMR has also been used to see the anomeric end chain of cellulose and amylose derivatives and to show the fixation of bromine and t-butyl group on the free anomeric end chain of cellulose triacetate. (author)

  20. State interrogation in nuclear magnetic resonance quantum-information processing

    International Nuclear Information System (INIS)

    Reconstruction of a reduced density operator for weakly coupled systems of spins (1/2) from fits to nuclear magnetic resonance spectra is described in detail. Particular emphasis is placed on data treatment procedures that specify fewer than the 3n complete spectra that are implicitly prescribed in published references to state tomography on n-spin systems. It is shown that if the density operator is expanded in the so-called product-operator basis, it is always possible to estimate a desired coefficient in the expansion by measuring a single spectral multiplet. This simple observation can substantially reduce the experimental effort required for either complete density-matrix reconstruction or estimation of subsets of the coefficients in the product-operator expansion. A simple iterative algorithm can be used to produce reduced measurement procedures for experiments involving small numbers of qubits

  1. Nuclear Magnetic Resonance Study of Nanoscale Ionic Materials

    KAUST Repository

    Oommen, Joanna Mary

    2010-08-13

    Nanoscale ionic materials (NIMs) are a new class of nanomaterials that exhibit interesting properties including negligible vapor pressures and tunable physical states, among others. In this study, we analyzed the temperature-wise performance of NIMs using nuclear magnetic resonance (NMR) spectroscopy. NIMs are relatively stable over a temperature range from 300 to 383 K, rendering them usable in high temperature applications. We confirmed the presence of covalent bonds between the SiO2 core and the sulfonate group and determined relative concentrations of aromatic and aliphatic hydrocarbons. These findings serve as first hand proof-of-concept for the usefulness of NMR analyses in further studies on the diffusive properties of NIMs. © 2010 The Electrochemical Society.

  2. Serum metabonomics of acute leukemia using nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Musharraf, Syed Ghulam; Siddiqui, Amna Jabbar; Shamsi, Tahir; Choudhary, M. Iqbal; Rahman, Atta-ur

    2016-01-01

    Acute leukemia is a critical neoplasm of white blood cells. In order to differentiate between the metabolic alterations associated with two subtypes of acute leukemia, acute lymphoblastic leukemia (ALL) and acute myeloid leukemia (AML), we investigated the serum of ALL and AML patients and compared with two controls (healthy and aplastic anemia) using 1H NMR (nuclear magnetic resonance) spectroscopy. Thirty-seven putative metabolites were identified using Carr-Purcell-Meiboom-Gill (CPMG) sequence. The use of PLS-DA and OPLS-DA models gave results with 84.38% and 90.63% classification rate, respectively. The metabolites responsible for classification are mainly lipids, lactate and glucose. Compared with controls, ALL and AML patients showed serum metabonomic differences involving aberrant metabolism pathways including glycolysis, TCA cycle, lipoprotein changes, choline and fatty acid metabolisms. PMID:27480133

  3. Nuclear magnetic resonance. Present results and its application to renal pathology. Experimental study of hydronephrosis

    International Nuclear Information System (INIS)

    Results of proton nuclear magnetic resonance imaging and relaxation time measurement of experimental hydronephrosis in mice are presented. The study is preceded by a description of the physical principles underlying the phenomenon of nuclear magnetic resonance and of its biomedical applications and with a review of the clinical use of NMR imaging in renal pathology

  4. Line broadening interference for high-resolution nuclear magnetic resonance spectra under inhomogeneous magnetic fields.

    Science.gov (United States)

    Wei, Zhiliang; Yang, Jian; Chen, Youhe; Lin, Yanqin; Chen, Zhong

    2015-04-01

    Nuclear magnetic resonance spectroscopy serves as an important tool for analyzing chemicals and biological metabolites. However, its performance is subject to the magnetic-field homogeneity. Under inhomogeneous fields, peaks are broadened to overlap each other, introducing difficulties for assignments. Here, we propose a method termed as line broadening interference (LBI) to provide high-resolution information under inhomogeneous magnetic fields by employing certain gradients in the indirect dimension to interfere the magnetic-field inhomogeneity. The conventional spectral-line broadening is thus interfered to be non-diagonal, avoiding the overlapping among adjacent resonances. Furthermore, an inhomogeneity correction algorithm is developed based on pattern recognition to recover the high-resolution information from LBI spectra. Theoretical deductions are performed to offer systematic and detailed analyses on the proposed method. Moreover, experiments are conducted to prove the feasibility of the proposed method for yielding high-resolution spectra in inhomogeneous magnetic fields.

  5. Nuclear magnetic resonance experiments with dc SQUID amplifiers

    International Nuclear Information System (INIS)

    The development and fabrication of dc SQUIDs (Superconducting QUantum Interference Devices) with Nb/Al2O3/Nb Josephson junctions is described. A theory of the dc SQUID as a radio-frequency amplifier is presented, with an optimization strategy that accounts for the loading and noise contributions of the postamplifier and maximizes the signal-to-noise ratio of the total system. The high sensitivity of the dc SQUID is extended to high field NMR. A dc SQUID is used as a tuned radio-frequency amplifier to detect pulsed nuclear magnetic resonance at 32 MHz from a metal film in a 3.5 Tesla static field. A total system noise temperature of 11 K has been achieved, at a bath temperature of 4.2 K. The minimum number of nuclear Bohr magnetons observable from a free precession signal after a single pulse is about 2 x 1017 in a bandwidth of 25 kHz. In a separate experiment, a dc SQUID is used as a rf amplifier in a NQR experiment to observe a new resonance response mechanism. The net electric polarization of a NaClO3 crystal due to the precessing electric quadrupole moments of the Cl nuclei is detected at 30 MHz. The sensitivity of NMR and NQR spectrometers using dc SQUID amplifiers is compared to the sensitivity of spectrometers using conventional rf amplifiers. A SQUID-based spectrometer has a voltage sensitivity which is comparable to the best achieved by a FET-based spectrometer, at these temperatures and operating frequencies

  6. Cantilever noise in off-cantilever-resonance force-detected nuclear magnetic resonance

    Science.gov (United States)

    Harrell, Lee E.; Thurber, Kent R.; Smith, Doran D.

    2004-03-01

    Early work in force-detected nuclear magnetic resonance (FD-NMR) and magnetic resonance force microscopy was restricted to nuclei with a relatively large gyromagnetic ratio γ. Increasingly, as researchers look to apply FD-NMR to practical problems, observing isotopes with a small γ is becoming necessary. The small γ of these isotopes places severe restrictions on the radio frequency field strength necessary to flip the sample spins at practical cantilever frequencies by adiabatic rapid passage. These restrictions led us to investigate the feasibility of observing FD-NMR by flipping sample spins at a rate well below the cantilever frequency. In this article we show that there is no increase in thermomechanical force noise in off-cantilever-resonance FD-NMR relative to on-cantilever-resonance work. Further, we show that working off-cantilever resonance can reduce artifacts and decrease data acquisition time. The major disadvantage to working off-cantilever resonance—reduced cantilever response—increases the importance of low noise detection of cantilever oscillation.

  7. New Approaches to Quantum Computing using Nuclear Magnetic Resonance Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Colvin, M; Krishnan, V V

    2003-02-07

    The power of a quantum computer (QC) relies on the fundamental concept of the superposition in quantum mechanics and thus allowing an inherent large-scale parallelization of computation. In a QC, binary information embodied in a quantum system, such as spin degrees of freedom of a spin-1/2 particle forms the qubits (quantum mechanical bits), over which appropriate logical gates perform the computation. In classical computers, the basic unit of information is the bit, which can take a value of either 0 or 1. Bits are connected together by logic gates to form logic circuits to implement complex logical operations. The expansion of modern computers has been driven by the developments of faster, smaller and cheaper logic gates. As the size of the logic gates become smaller toward the level of atomic dimensions, the performance of such a system is no longer considered classical but is rather governed by quantum mechanics. Quantum computers offer the potentially superior prospect of solving computational problems that are intractable to classical computers such as efficient database searches and cryptography. A variety of algorithms have been developed recently, most notably Shor's algorithm for factorizing long numbers into prime factors in polynomial time and Grover's quantum search algorithm. The algorithms that were of only theoretical interest as recently, until several methods were proposed to build an experimental QC. These methods include, trapped ions, cavity-QED, coupled quantum dots, Josephson junctions, spin resonance transistors, linear optics and nuclear magnetic resonance. Nuclear magnetic resonance (NMR) is uniquely capable of constructing small QCs and several algorithms have been implemented successfully. NMR-QC differs from other implementations in one important way that it is not a single QC, but a statistical ensemble of them. Thus, quantum computing based on NMR is considered as ensemble quantum computing. In NMR quantum computing, the

  8. New Approaches to Quantum Computing using Nuclear Magnetic Resonance Spectroscopy

    International Nuclear Information System (INIS)

    The power of a quantum computer (QC) relies on the fundamental concept of the superposition in quantum mechanics and thus allowing an inherent large-scale parallelization of computation. In a QC, binary information embodied in a quantum system, such as spin degrees of freedom of a spin-1/2 particle forms the qubits (quantum mechanical bits), over which appropriate logical gates perform the computation. In classical computers, the basic unit of information is the bit, which can take a value of either 0 or 1. Bits are connected together by logic gates to form logic circuits to implement complex logical operations. The expansion of modern computers has been driven by the developments of faster, smaller and cheaper logic gates. As the size of the logic gates become smaller toward the level of atomic dimensions, the performance of such a system is no longer considered classical but is rather governed by quantum mechanics. Quantum computers offer the potentially superior prospect of solving computational problems that are intractable to classical computers such as efficient database searches and cryptography. A variety of algorithms have been developed recently, most notably Shor's algorithm for factorizing long numbers into prime factors in polynomial time and Grover's quantum search algorithm. The algorithms that were of only theoretical interest as recently, until several methods were proposed to build an experimental QC. These methods include, trapped ions, cavity-QED, coupled quantum dots, Josephson junctions, spin resonance transistors, linear optics and nuclear magnetic resonance. Nuclear magnetic resonance (NMR) is uniquely capable of constructing small QCs and several algorithms have been implemented successfully. NMR-QC differs from other implementations in one important way that it is not a single QC, but a statistical ensemble of them. Thus, quantum computing based on NMR is considered as ensemble quantum computing. In NMR quantum computing, the spins with

  9. Development of a miniature permanent magnetic circuit for nuclear magnetic resonance chip

    Science.gov (United States)

    Lu, Rongsheng; Yi, Hong; Wu, Weiping; Ni, Zhonghua

    2013-07-01

    The existing researches of miniature magnetic circuits focus on the single-sided permanent magnetic circuits and the Halbach permanent magnetic circuits. In the single-sided permanent magnetic circuits, the magnetic flux density is always very low in the work region. In the Halbach permanent magnetic circuits, there are always great difficulties in the manufacturing and assembly process. The static magnetic flux density required for nuclear magnetic resonance(NMR) chip is analyzed based on the signal noise ratio(SNR) calculation model, and then a miniature C-shaped permanent magnetic circuit is designed as the required magnetic flux density. Based on Kirchhoff's law and magnetic flux refraction principle, the concept of a single shimming ring is proposed to improve the performance of the designed magnetic circuit. Using the finite element method, a comparative calculation is conducted. The calculation results demonstrate that the magnetic circuit improved with a single shimming has higher magnetic flux density and better magnetic field homogeneity than the one improved with no shimming ring or double shimming rings. The proposed magnetic circuit is manufactured and its experimental test platform is also built. The magnetic flux density measured in the work region is 0.7 T, which is well coincided with the theoretical design. The spatial variation of the magnetic field is within the range of the instrument error. At last, the temperature dependence of the magnetic flux density produced by the proposed magnetic circuit is investigated through both theoretical analysis and experimental study, and a linear functional model is obtained. The proposed research is crucial for solving the problem in the application of NMR-chip under different environmental temperatures.

  10. Nuclear magnetic resonance studies of macroscopic morphology and dynamics

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance techniques are traditionally used to study molecular level structure and dynamics with a noted exception in medically applied NMR imaging (MRI). In this work, new experimental methods and theory are presented relevant to the study of macroscopic morphology and dynamics using NMR field gradient techniques and solid state two-dimensional exchange NMR. The goal in this work is not to take some particular system and study it in great detail, rather it is to show the utility of a number of new and novel techniques using ideal systems primarily as a proof of principle. By taking advantage of the analogy between NMR imaging and diffraction, one may simplify the experiments necessary for characterizing the statistical properties of the sample morphology. For a sample composed of many small features, e.g. a porous medium, the NMR diffraction techniques take advantage of both the narrow spatial range and spatial isotropy of the sample's density autocorrelation function to obtain high resolution structural information in considerably less time than that required by conventional NMR imaging approaches. The time savings of the technique indicates that NMR diffraction is capable of finer spatial resolution than conventional NMR imaging techniques. Radio frequency NMR imaging with a coaxial resonator represents the first use of cylindrically symmetric field gradients in imaging. The apparatus as built has achieved resolution at the micron level for water samples, and has the potential to be very useful in the imaging of circularly symmetric systems. The study of displacement probability densities in flow through a random porous medium has revealed the presence of features related to the interconnectedness of the void volumes. The pulsed gradient techniques used have proven successful at measuring flow properties for time and length scales considerably shorter than those studied by more conventional techniques

  11. Nuclear magnetic resonance studies of macroscopic morphology and dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Barrall, G A [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry

    1995-09-01

    Nuclear magnetic resonance techniques are traditionally used to study molecular level structure and dynamics with a noted exception in medically applied NMR imaging (MRI). In this work, new experimental methods and theory are presented relevant to the study of macroscopic morphology and dynamics using NMR field gradient techniques and solid state two-dimensional exchange NMR. The goal in this work is not to take some particular system and study it in great detail, rather it is to show the utility of a number of new and novel techniques using ideal systems primarily as a proof of principle. By taking advantage of the analogy between NMR imaging and diffraction, one may simplify the experiments necessary for characterizing the statistical properties of the sample morphology. For a sample composed of many small features, e.g. a porous medium, the NMR diffraction techniques take advantage of both the narrow spatial range and spatial isotropy of the sample`s density autocorrelation function to obtain high resolution structural information in considerably less time than that required by conventional NMR imaging approaches. The time savings of the technique indicates that NMR diffraction is capable of finer spatial resolution than conventional NMR imaging techniques. Radio frequency NMR imaging with a coaxial resonator represents the first use of cylindrically symmetric field gradients in imaging. The apparatus as built has achieved resolution at the micron level for water samples, and has the potential to be very useful in the imaging of circularly symmetric systems. The study of displacement probability densities in flow through a random porous medium has revealed the presence of features related to the interconnectedness of the void volumes. The pulsed gradient techniques used have proven successful at measuring flow properties for time and length scales considerably shorter than those studied by more conventional techniques.

  12. Measurement of total lung water from nuclear magnetic resonance images

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance (NMR) spectroscopy was used to show that the water content of lung tissue could be predicted accurately from the intensity of signal resulting from a 900 saturation recovery sequence. The water contained in an image section may, therefore, be calculated by reference to a 100% water standard. Lung water was obtained by imaging the lung in continuous sections and summing the water contents of the component sections. The method performed well when applied to a sponge phantom, but underestimated by up to 30% in excised sheep lung. The total (vascular and extravascular) pulmonary water measured by NMR in six healthy volunteers was 292 g (SD 58 g) or 4.6 g/kg body weight, less than predicted by some other indirect methods and post-mortem values. A briefer examination comprising two axial sections at standardised levels was also devised. In 15 healthy volunteers the mean water content of a 1.6 cm-thick axial section through the right lung was 17.8 g at the sternal angle, and 23.3 g 5 cm caudally. In the left lung, the values were 16.4 g and 16.3 g, respectively. (author)

  13. Advances in Nuclear Magnetic Resonance for Drug Discovery

    Science.gov (United States)

    Powers, Robert

    2010-01-01

    Background Drug discovery is a complex and unpredictable endeavor with a high failure rate. Current trends in the pharmaceutical industry have exasperated these challenges and are contributing to the dramatic decline in productivity observed over the last decade. The industrialization of science by forcing the drug discovery process to adhere to assembly-line protocols is imposing unnecessary restrictions, such as short project time-lines. Recent advances in nuclear magnetic resonance are responding to these self-imposed limitations and are providing opportunities to increase the success rate of drug discovery. Objective/Method A review of recent advancements in NMR technology that have the potential of significantly impacting and benefiting the drug discovery process will be presented. These include fast NMR data collection protocols and high-throughput protein structure determination, rapid protein-ligand co-structure determination, lead discovery using fragment-based NMR affinity screens, NMR metabolomics to monitor in vivo efficacy and toxicity for lead compounds, and the identification of new therapeutic targets through the functional annotation of proteins by FAST-NMR. Conclusion NMR is a critical component of the drug discovery process, where the versatility of the technique enables it to continually expand and evolve its role. NMR is expected to maintain this growth over the next decade with advancements in automation, speed of structure calculation, in-cell imaging techniques, and the expansion of NMR amenable targets. PMID:20333269

  14. Nuclear magnetic resonance imaging of water content in the subsurface

    Energy Technology Data Exchange (ETDEWEB)

    J. Hendricks; T. Yao; A. Kearns

    1999-01-21

    Previous theoretical and experimental studies indicated that surface nuclear magnetic resonance (NMR) has the potential to provide cost-effective water content measurements in the subsurface and is a technology ripe for exploitation in practice. The objectives of this investigation are (a) to test the technique under a wide range of hydrogeological conditions and (b) to generalize existing NMR theories in order to correctly model NMR response from conductive ground and to assess properties of the inverse problem. Twenty-four sites with different hydrogeologic settings were selected in New Mexico and Colorado for testing. The greatest limitation of surface NMR technology appears to be the lack of understanding in which manner the NMR signal is influenced by soil-water factors such as pore size distribution, surface-to-volume ratio, paramagnetic ions dissolved in the ground water, and the presence of ferromagnetic minerals. Although the theoretical basis is found to be sound, several advances need to be made to make surface NMR a viable technology for hydrological investigations. There is a research need to investigate, under controlled laboratory conditions, how the complex factors of soil-water systems affect NMR relaxation times.

  15. Work in progress: nuclear magnetic resonance imaging of the gallbladder

    International Nuclear Information System (INIS)

    A preliminary study of the relation between food intake and intensity of gallbladder bile on nuclear magnetic resonance (NMR) images was made. Twelve subjects (seven volunteers, five patients) were imaged following a minimum of 14 hours of fasting. Six of seven volunteers were reimaged one hour after stimulation by either a fatty meal or an alcoholic beverage. An additional seven patients were imaged two hours after a hospital breakfast. It was found that concentrated bile emits a high-intensity spin echo signal (SE), while hepatic bile in the gallbladder produces a low-intensity SE signal. Following ingestion of cholecystogogue, dilute hepatic bile settles on top of the concentrated bile, each emitting SE signals of different intensity. The average T1 value of concentrated bile was 594 msec, while the T1 vaue of dilute hepatic bile was 2,646 msec. The average T2 values were 104 msec for concentrated bile and 126 msec for dilute bile. The most likely cause for the different SE intensities of bile is the higher water content, and therefore longer T1 or T2 relaxation times, of hepatic bile. It is suggested that NMR imaging has the ability to provide physiological information about the gallbladder and that it may prove to be a simple and safe clinical test of gallbladder function

  16. Updated methodology for nuclear magnetic resonance characterization of shales

    Science.gov (United States)

    Washburn, Kathryn E.; Birdwell, Justin E.

    2013-01-01

    Unconventional petroleum resources, particularly in shales, are expected to play an increasingly important role in the world’s energy portfolio in the coming years. Nuclear magnetic resonance (NMR), particularly at low-field, provides important information in the evaluation of shale resources. Most of the low-field NMR analyses performed on shale samples rely heavily on standard T1 and T2 measurements. We present a new approach using solid echoes in the measurement of T1 and T1–T2 correlations that addresses some of the challenges encountered when making NMR measurements on shale samples compared to conventional reservoir rocks. Combining these techniques with standard T1 and T2 measurements provides a more complete assessment of the hydrogen-bearing constituents (e.g., bitumen, kerogen, clay-bound water) in shale samples. These methods are applied to immature and pyrolyzed oil shale samples to examine the solid and highly viscous organic phases present during the petroleum generation process. The solid echo measurements produce additional signal in the oil shale samples compared to the standard methodologies, indicating the presence of components undergoing homonuclear dipolar coupling. The results presented here include the first low-field NMR measurements performed on kerogen as well as detailed NMR analysis of highly viscous thermally generated bitumen present in pyrolyzed oil shale.

  17. Discrete decoding based ultrafast multidimensional nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    The three-dimensional (3D) nuclear magnetic resonance (NMR) spectroscopy constitutes an important and powerful tool in analyzing chemical and biological systems. However, the abundant 3D information arrives at the expense of long acquisition times lasting hours or even days. Therefore, there has been a continuous interest in developing techniques to accelerate recordings of 3D NMR spectra, among which the ultrafast spatiotemporal encoding technique supplies impressive acquisition speed by compressing a multidimensional spectrum in a single scan. However, it tends to suffer from tradeoffs among spectral widths in different dimensions, which deteriorates in cases of NMR spectroscopy with more dimensions. In this study, the discrete decoding is proposed to liberate the ultrafast technique from tradeoffs among spectral widths in different dimensions by focusing decoding on signal-bearing sites. For verifying its feasibility and effectiveness, we utilized the method to generate two different types of 3D spectra. The proposed method is also applicable to cases with more than three dimensions, which, based on the experimental results, may widen applications of the ultrafast technique

  18. Discrete decoding based ultrafast multidimensional nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Wei, Zhiliang; Lin, Liangjie; Ye, Qimiao; Li, Jing; Cai, Shuhui; Chen, Zhong

    2015-07-01

    The three-dimensional (3D) nuclear magnetic resonance (NMR) spectroscopy constitutes an important and powerful tool in analyzing chemical and biological systems. However, the abundant 3D information arrives at the expense of long acquisition times lasting hours or even days. Therefore, there has been a continuous interest in developing techniques to accelerate recordings of 3D NMR spectra, among which the ultrafast spatiotemporal encoding technique supplies impressive acquisition speed by compressing a multidimensional spectrum in a single scan. However, it tends to suffer from tradeoffs among spectral widths in different dimensions, which deteriorates in cases of NMR spectroscopy with more dimensions. In this study, the discrete decoding is proposed to liberate the ultrafast technique from tradeoffs among spectral widths in different dimensions by focusing decoding on signal-bearing sites. For verifying its feasibility and effectiveness, we utilized the method to generate two different types of 3D spectra. The proposed method is also applicable to cases with more than three dimensions, which, based on the experimental results, may widen applications of the ultrafast technique.

  19. Multinuclear nuclear magnetic resonance spectroscopic study of cartilage proteoglycans

    International Nuclear Information System (INIS)

    Hyaline cartilage is a composite material whose major function is to withstand compression while retaining flexibility. Its mechanical properties are affected by tissue hydration and ionic composition. Models of the mechanical behavior of cartilage have incorporated certain assumptions about the interactions of the major components of cartilage: collagen, proteoglycans, water, and cations. To determine the validity of these assumption, the authors have used nuclear magnetic resonance spectroscopy (NMR). Two approaches have been used: (a) natural abundance carbon-13 NMR; and (b) NMR of sodium-23, potassium-39, magnesium-25, and calcium-43. Evidence from studies in intact tissues are reinforced by extensive measurements on solutions of proteoglycans and other relevant macromolecules. Based on the measurements of NMR relaxation rates and lineshapes reported here, it is concluded that neither sodium nor potassium interact strongly with bovine nasal proteoglycan aggregates or their substituent glycosaminoglycan chains in solution. Proteoglycans do bind magnesium and calcium. Therefore there is a qualitative difference between monovalent and divalent cations, which is not taken into account by polyelectrolyte models or models for the ionic dependence of mechanical properties. Cation binding to heparin, which has a higher charge density than cartilage proteoglycans, was also studied. The results presented here establish that heparin binds sodium, magnesium, and calcium

  20. Two-dimensional nuclear magnetic resonance of quadrupolar systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shuanhu

    1997-09-17

    This dissertation describes two-dimensional nuclear magnetic resonance theory and experiments which have been developed to study quadruples in the solid state. The technique of multiple-quantum magic-angle spinning (MQMAS) is extensively reviewed and expanded upon in this thesis. Specifically, MQMAS is first compared with another technique, dynamic-angle spinning (DAS). The similarity between the two techniques allows us to extend much of the DAS work to the MQMAS case. Application of MQMAS to a series of aluminum containing materials is then presented. The superior resolution enhancement through MQMAS is exploited to detect the five- and six-coordinated aluminum in many aluminosilicate glasses. Combining the MQMAS method with other experiments, such as HETCOR, greatly expands the possibility of the use of MQMAS to study a large range of problems and is demonstrated in Chapter 5. Finally, the technique switching-angle spinning (SAS) is applied to quadrupolar nuclei to fully characterize a quadrupolar spin system in which all of the 8 NMR parameters are accurately determined. This dissertation is meant to demonstrate that with the combination of two-dimensional NMR concepts and new advanced spinning technologies, a series of multiple-dimensional NMR techniques can be designed to allow a detailed study of quadrupolar nuclei in the solid state.

  1. Multi-exponential inversions of nuclear magnetic resonance relaxation signal

    Institute of Scientific and Technical Information of China (English)

    WANG; Weimin(

    2001-01-01

    [1]Kenyon, W. E. , Petrophysical principles of applications of NMR logging, The Log Analyst, 1997, March-April: 21-43.[2]Timur, A., Producible porosity and permeability of sandstone investigated through nuclear magnetic resonance principles,Journal of Petroleum Technology, 1969, 21: 775-786.[3]Chakrabarty, T. , Longo, J. , A new method for mineral quantification to aid in hydrocarbon exploration and exploitation,Journal of Canadian Petroleum Technology, 1997, 36(11 ): 15-21.[4]Kleinberg, R. L. , Vinegar, H. J. , NMR properties of reservoir fluids, The Log Analyst, 1996, November-December: 20-32.[5]Wahba, G. , Practical approximate solutions to linear operator equations when the data are noisy, SIAM. J. Numer. Anal. ,1977, 14(4): 651-667.[6]Butler, J. P. , Reeds, J. A. , Dawson, S. V. , Estimating solutions of first kind integral equations with nonnegative constraints and optimal smoothing, SIAM J. Numer. Anal. , 1981, 18(3): 381-397.[7]Munn, K. , Smith, D. M., A NMR technique for the analysis of pore structure: Numerical inversion of relaxation measurements, Journal of Colloid and Interface Science, 1987,19(1): 117-126.[8]Provencher, S. W., A constrained regularization method for inverting data represented by linear algebraic or integral equations, Computer Physics Communications, 1982, 27: 213-227.[9]Bergman, D. J., Dunn, K. J., Magnetic susceptibility contrasted fixed field gradient effects on the spin-echo amplitude in a periodic porous media with diffusion, Phys. Soc., 1995, 40: 695-702.[10]Wang Weimin, The basic experiment studies of NMR logging, Well Logging Technology, 1997, 21 (6): 385-392.

  2. Novel nuclear magnetic resonance techniques for studying biological molecules

    International Nuclear Information System (INIS)

    Over the fifty-five year history of Nuclear Magnetic Resonance (NMR), considerable progress has been made in the development of techniques for studying the structure, function, and dynamics of biological molecules. The majority of this research has involved the development of multi-dimensional NMR experiments for studying molecules in solution, although in recent years a number of groups have begun to explore NMR methods for studying biological systems in the solid-state. Despite this new effort, a need still exists for the development of techniques that improve sensitivity, maximize information, and take advantage of all the NMR interactions available in biological molecules. In this dissertation, a variety of novel NMR techniques for studying biomolecules are discussed. A method for determining backbone (φ/ψ) dihedral angles by comparing experimentally determined 13Ca, chemical-shift anisotropies with theoretical calculations is presented, along with a brief description of the theory behind chemical-shift computation in proteins and peptides. The utility of the Spin-Polarization Induced Nuclear Overhauser Effect (SPINOE) to selectively enhance NMR signals in solution is examined in a variety of systems, as are methods for extracting structural information from cross-relaxation rates that can be measured in SPINOE experiments. Techniques for the production of supercritical and liquid laser-polarized xenon are discussed, as well as the prospects for using optically pumped xenon as a polarizing solvent. In addition, a detailed study of the structure of PrP 89-143 is presented. PrP 89-143 is a 54 residue fragment of the prion proteins which, upon mutation and aggregation, can induce prion diseases in transgenic mice. Whereas the structure of the wild-type PrP 89-143 is a generally unstructured mixture of α-helical and β-sheet conformers in the solid state, the aggregates formed from the PrP 89-143 mutants appear to be mostly β-sheet.

  3. Novel nuclear magnetic resonance techniques for studying biological molecules

    Energy Technology Data Exchange (ETDEWEB)

    Laws, David D.

    2000-06-01

    Over the fifty-five year history of Nuclear Magnetic Resonance (NMR), considerable progress has been made in the development of techniques for studying the structure, function, and dynamics of biological molecules. The majority of this research has involved the development of multi-dimensional NMR experiments for studying molecules in solution, although in recent years a number of groups have begun to explore NMR methods for studying biological systems in the solid-state. Despite this new effort, a need still exists for the development of techniques that improve sensitivity, maximize information, and take advantage of all the NMR interactions available in biological molecules. In this dissertation, a variety of novel NMR techniques for studying biomolecules are discussed. A method for determining backbone ({phi}/{psi}) dihedral angles by comparing experimentally determined {sup 13}C{sub a}, chemical-shift anisotropies with theoretical calculations is presented, along with a brief description of the theory behind chemical-shift computation in proteins and peptides. The utility of the Spin-Polarization Induced Nuclear Overhauser Effect (SPINOE) to selectively enhance NMR signals in solution is examined in a variety of systems, as are methods for extracting structural information from cross-relaxation rates that can be measured in SPINOE experiments. Techniques for the production of supercritical and liquid laser-polarized xenon are discussed, as well as the prospects for using optically pumped xenon as a polarizing solvent. In addition, a detailed study of the structure of PrP 89-143 is presented. PrP 89-143 is a 54 residue fragment of the prion proteins which, upon mutation and aggregation, can induce prion diseases in transgenic mice. Whereas the structure of the wild-type PrP 89-143 is a generally unstructured mixture of {alpha}-helical and {beta}-sheet conformers in the solid state, the aggregates formed from the PrP 89-143 mutants appear to be mostly {beta}-sheet.

  4. Analysis of ringing effects due to magnetic core materials in pulsed nuclear magnetic resonance circuits

    Energy Technology Data Exchange (ETDEWEB)

    Prabhu Gaunkar, N., E-mail: neelampg@iastate.edu; Bouda, N. R. Y.; Nlebedim, I. C.; Hadimani, R. L.; Mina, M.; Jiles, D. C. [Department of Electrical and Computer Engineering, Iowa State University, Ames, Iowa 50011 (United States); Bulu, I.; Ganesan, K.; Song, Y. Q. [Schlumberger-Doll Research, Cambridge, Massachusetts 02139 (United States)

    2015-05-07

    This work presents investigations and detailed analysis of ringing in a non-resonant pulsed nuclear magnetic resonance (NMR) circuit. Ringing is a commonly observed phenomenon in high power switching circuits. The oscillations described as ringing impede measurements in pulsed NMR systems. It is therefore desirable that those oscillations decay fast. It is often assumed that one of the causes behind ringing is the role of the magnetic core used in the antenna (acting as an inductive load). We will demonstrate that an LRC subcircuit is also set-up due to the inductive load and needs to be considered due to its parasitic effects. It is observed that the parasitics associated with the inductive load become important at certain frequencies. The output response can be related to the response of an under-damped circuit and to the magnetic core material. This research work demonstrates and discusses ways of controlling ringing by considering interrelationships between different contributing factors.

  5. Corotational Instability, Magnetic Resonances and Global Inertial-Acoustic Oscillations in Magnetized Black-Hole Accretion Discs

    CERN Document Server

    Fu, Wen

    2010-01-01

    Low-order, non-axisymmetric p-modes (also referred as inertial-acoustic modes) trapped in the inner-most region of hydrodynamic accretion discs around black holes, are plausible candidates for high-frequency quasi-periodic oscillations (QPOs) observed in a number of accreting black-hole systems. These modes are subject to global instabilities due to wave absorption at the corotation resonance (where the wave pattern frequency $\\omega/m$ equals the disc rotation rate $\\Omega$), when the fluid vortensity, $\\zeta=\\kappa^2/(2\\Omega\\Sigma)$ (where $\\kappa$ and $\\Sigma$ are the radial epicyclic frequency and disc surface density, respectively), has a positive gradient. We investigate the effects of disc magnetic fields on the wave absorption at corotation and the related wave super-reflection of the corotation barrier, and on the overstability of disc p-modes. For discs with a pure toroidal field, the corotation resonance is split into two magnetic resonances, where the wave frequency in the corotating frame of the...

  6. A Multidisciplinary Approach to High Throughput Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Pourmodheji, Hossein; Ghafar-Zadeh, Ebrahim; Magierowski, Sebastian

    2016-01-01

    Nuclear Magnetic Resonance (NMR) is a non-contact, powerful structure-elucidation technique for biochemical analysis. NMR spectroscopy is used extensively in a variety of life science applications including drug discovery. However, existing NMR technology is limited in that it cannot run a large number of experiments simultaneously in one unit. Recent advances in micro-fabrication technologies have attracted the attention of researchers to overcome these limitations and significantly accelerate the drug discovery process by developing the next generation of high-throughput NMR spectrometers using Complementary Metal Oxide Semiconductor (CMOS). In this paper, we examine this paradigm shift and explore new design strategies for the development of the next generation of high-throughput NMR spectrometers using CMOS technology. A CMOS NMR system consists of an array of high sensitivity micro-coils integrated with interfacing radio-frequency circuits on the same chip. Herein, we first discuss the key challenges and recent advances in the field of CMOS NMR technology, and then a new design strategy is put forward for the design and implementation of highly sensitive and high-throughput CMOS NMR spectrometers. We thereafter discuss the functionality and applicability of the proposed techniques by demonstrating the results. For microelectronic researchers starting to work in the field of CMOS NMR technology, this paper serves as a tutorial with comprehensive review of state-of-the-art technologies and their performance levels. Based on these levels, the CMOS NMR approach offers unique advantages for high resolution, time-sensitive and high-throughput bimolecular analysis required in a variety of life science applications including drug discovery.

  7. Resolution Improvement in Multidimensional Nuclear Magnetic Resonance Spectroscopy of Proteins

    International Nuclear Information System (INIS)

    The work presented in this thesis is concerned with both liquid-state and solid-state nuclear magnetic resonance (NMR) spectroscopy. Most of this work is devoted to the investigation by solid-state NMR of C13-enriched compounds with the principal aim of presenting techniques devised for further improving the spectral resolution in multidimensional NMR of microcrystalline proteins. In fully C13-labelled compounds, the J-coupling induces a broadening of the carbon lineshapes. We show that spin-state-selective technique called IPAP can be successfully combined with standard polarisation transfer schemes in order to remove the J-broadening in multidimensional solid-state NMR correlation experiments of fully C13-enriched proteins. We present subsequently two techniques tailored for liquid-state NMR spectroscopy. The carbon directly detected techniques provide chemical shift information for all backbone hetero-nuclei. They are very attracting for the study of large bio-molecular systems or for the investigation of paramagnetic proteins. In the last part of this thesis, we study the spin-echo J-modulation for homonuclear two-spin 1/2 systems. Under magic-angle spinning, the theory of J-induced spin-echo modulation allows to derive a set of modulation regimes which give a spin-echo modulation exactly equal to the J-coupling. We show that the chemical-shift anisotropy and the dipolar interaction tend to stabilize the spin-echo J-modulation. The theoretical conclusions are supported by numerical simulations and experimental results obtained for three representative samples containing C13 spin pairs. (author)

  8. A Multidisciplinary Approach to High Throughput Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Pourmodheji, Hossein; Ghafar-Zadeh, Ebrahim; Magierowski, Sebastian

    2016-01-01

    Nuclear Magnetic Resonance (NMR) is a non-contact, powerful structure-elucidation technique for biochemical analysis. NMR spectroscopy is used extensively in a variety of life science applications including drug discovery. However, existing NMR technology is limited in that it cannot run a large number of experiments simultaneously in one unit. Recent advances in micro-fabrication technologies have attracted the attention of researchers to overcome these limitations and significantly accelerate the drug discovery process by developing the next generation of high-throughput NMR spectrometers using Complementary Metal Oxide Semiconductor (CMOS). In this paper, we examine this paradigm shift and explore new design strategies for the development of the next generation of high-throughput NMR spectrometers using CMOS technology. A CMOS NMR system consists of an array of high sensitivity micro-coils integrated with interfacing radio-frequency circuits on the same chip. Herein, we first discuss the key challenges and recent advances in the field of CMOS NMR technology, and then a new design strategy is put forward for the design and implementation of highly sensitive and high-throughput CMOS NMR spectrometers. We thereafter discuss the functionality and applicability of the proposed techniques by demonstrating the results. For microelectronic researchers starting to work in the field of CMOS NMR technology, this paper serves as a tutorial with comprehensive review of state-of-the-art technologies and their performance levels. Based on these levels, the CMOS NMR approach offers unique advantages for high resolution, time-sensitive and high-throughput bimolecular analysis required in a variety of life science applications including drug discovery. PMID:27294925

  9. MEMS-Based Force-Detected Nuclear Magnetic Resonance (FDNMR) Spectrometer

    Science.gov (United States)

    Lee, Choonsup; Butler, Mark C.; Elgammal, Ramez A.; George, Thomas; Hunt, Brian; Weitekamp, Daniel P.

    2006-01-01

    Nuclear Magnetic Resonance (NMR) spectroscopy allows assignment of molecular structure by acquiring the energy spectrum of nuclear spins in a molecule, and by interpreting the symmetry and positions of resonance lines in the spectrum. As such, NMR has become one of the most versatile and ubiquitous spectroscopic methods. Despite these tremendous successes, NMR experiments suffer from inherent low sensitivity due to the relatively low energy of photons in the radio frequency (rt) region of the electromagnetic spectrum. Here, we describe a high-resolution spectroscopy in samples with diameters in the micron range and below. We have reported design and fabrication of force-detected nuclear magnetic resonance (FDNMR).

  10. Value of nuclear magnetic resonance imaging in cardiology

    International Nuclear Information System (INIS)

    The present study summarizes an experience with Magnetic Resonance Imaging (MRI) in the evaluation of twelve patients with a variety of cardiac abnormalities (myocardial infarction, mural thrombi, obstructive cardiomyopathy, pericarditis). The results are compared with clinical data, with measurements from other techniques such as two-dimensional echocardiography and with the images in normal subjects. An anticipated advantage of MRI is the ability to provide better tissue characterization, than has been attained with other imaging techniques, by relaxation time measurement

  11. Nuclear magnetic resonance of laser-polarized noble gases in molecules, materials and organisms

    International Nuclear Information System (INIS)

    Conventional nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) are fundamentally challenged by the insensitivity that stems from the ordinarily low spin polarization achievable in even the strongest NMR magnets. However, by transferring angular momentum from laser light to electronic and nuclear spins, optical pumping methods can increase the nuclear spin polarization of noble gases by several orders of magnitude, thereby greatly enhancing their NMR sensitivity. This dissertation is primarily concerned with the principles and practice of optically pumped nuclear magnetic resonance (OPNMR). The enormous sensitivity enhancement afforded by optical pumping noble gases can be exploited to permit a variety of novel NMR experiments across many disciplines. Many such experiments are reviewed, including the void-space imaging of organisms and materials, NMR and MRI of living tissues, probing structure and dynamics of molecules in solution and on surfaces, and zero-field NMR and MRI

  12. Nuclear magnetic resonance of laser-polarized noble gases in molecules, materials and organisms

    Energy Technology Data Exchange (ETDEWEB)

    Goodson, Boyd M.

    1999-12-01

    Conventional nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) are fundamentally challenged by the insensitivity that stems from the ordinarily low spin polarization achievable in even the strongest NMR magnets. However, by transferring angular momentum from laser light to electronic and nuclear spins, optical pumping methods can increase the nuclear spin polarization of noble gases by several orders of magnitude, thereby greatly enhancing their NMR sensitivity. This dissertation is primarily concerned with the principles and practice of optically pumped nuclear magnetic resonance (OPNMR). The enormous sensitivity enhancement afforded by optical pumping noble gases can be exploited to permit a variety of novel NMR experiments across many disciplines. Many such experiments are reviewed, including the void-space imaging of organisms and materials, NMR and MRI of living tissues, probing structure and dynamics of molecules in solution and on surfaces, and zero-field NMR and MRI.

  13. Analysis of ringing due to magnetic core materials used in pulsed nuclear magnetic resonance applications

    Science.gov (United States)

    Prabhu Gaunkar, Neelam; Nlebedim, Cajetan; Hadimani, Ravi; Bulu, Irfan; Song, Yi-Qiao; Mina, Mani; Jiles, David

    Oil-field well logging instruments employ pulsed nuclear magnetic resonance (NMR) techniques and use inductive sensors to detect and evaluate the presence of particular fluids in geological formations. Acting as both signal transmitters and receivers most inductive sensors employ magnetic cores to enhance the quality and amplitude of signals recorded during field measurements. It is observed that the magnetic core also responds to the applied input signal thereby generating a signal (`ringing') that interferes with the measurement of the signals from the target formations. This causes significant noise and receiver dead time and it is beneficial to eliminate/suppress the signals received from the magnetic core. In this work a detailed analysis of the magnetic core response and in particular loading of the sensor due to the presence of the magnetic core is presented. Pulsed NMR measurements over a frequency band of 100 kHz to 1MHz are used to determine the amplitude and linewidth of the signals acquired from different magnetic core materials. A lower signal amplitude and a higher linewidth are vital since these would correspond to minimal contributions from the magnetic core to the inductive sensor response and thus leading to minimized receiver dead time.

  14. Evaluation of magnetic resonance imaging (MRI) in diagnosis of acoustic neuroma. Comparative study with plain X-ray and CTs

    Energy Technology Data Exchange (ETDEWEB)

    Nomura, Kimihisa; Sakai, Makoto; Shinkawa, Atsushi; Miyake, Hirosato; Matsukawa, Junichi

    1987-11-01

    In order to find an approach to earlier and more acurate diagnosis of acoustic neuroma, a comparative evaluation of MRI, plain X-ray (Stenvers' projection), high resolution CT with or without Metrizamide enhancement and air-CT has been made in five clinical cases of acoustic neuroma. A paramagnetic contrast agent, Gadolinium-diethylenetriamine pentaacetic acid (Gd-DTPA), was used to enhance images resolution in two cases of acoustic neuroma. In MRI, the high singnal mass in the posterior fossa was smaller than 10 x 10 mm in 2 cases, 17 x 20 mm in 2 cases and 35 x 40 mm in one case. MRI revealed enlargement of the neurovascular bundle around the VII and VIII cranial nerves compatible with a diagnosis of acoustic neuroma in all 5 cases, and masses within the cerebellopontine angle were also disclosed. In 2 cases the image of equivocal acoustic neuromas was well enhanced, and these lesions were visualized after intravenous administration of Gd-DTPA. In one of the cases the acoustic neuroma was satisfactorily differentiated from the surrounding cystic lesion with the aid of a contrast medium. Magnetic resonance which uses no ionizing radiation seems to be innocuous and offers several advantages over other imaging methods and CT, which may produce an adverse reaction when a contrast medium is used in CT-cisternography. Further advancement of MR technology will offer greater assistance in differential diagnosis of lesions such as acoustic tumors or other cerebellopontine angle tumors.

  15. Detection of molecules and cells using nuclear magnetic resonance with magnetic nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Rümenapp, Christine, E-mail: ruemenapp@tum.de [Zentralinstitut für Medizintechnik (IMETUM), Technische Universität München, Garching (Germany); Gleich, Bernhard [Zentralinstitut für Medizintechnik (IMETUM), Technische Universität München, Garching (Germany); Mannherz, Hans Georg [Abteilung für Anatomie und Molekulare Embryologie, Ruhr Universität Bochum, Bochum (Germany); Haase, Axel [Zentralinstitut für Medizintechnik (IMETUM), Technische Universität München, Garching (Germany)

    2015-04-15

    For the detection of small molecules, proteins or even cells in vitro, functionalised magnetic nanoparticles and nuclear magnetic resonance measurements can be applied. In this work, magnetic nanoparticles with the size of 5–7 nm were functionalised with antibodies to detect two model systems of different sizes, the protein avidin and Saccharomyces cerevisiae as the model organism. The synthesised magnetic nanoparticles showed a narrow size distribution, which was determined using transmission electron microscopy and dynamic light scattering. The magnetic nanoparticles were functionalised with the according antibodies via EDC/NHS chemistry. The binding of the antigen to magnetic nanoparticles was detected through the change in the NMR T{sub 2} relaxation time at 0.5 T (≈21.7 MHz). In case of a specific binding the particles cluster and the T{sub 2} relaxation time of the sample changes. The detection limit in buffer for FITC-avidin was determined to be 1.35 nM and 10{sup 7} cells/ml for S. cerevisiae. For fluorescent microscopy the avidin molecules were labelled with FITC and for the detection of S. cerevisiae the magnetic nanoparticles were additionally functionalised with rhodamine. The binding of the particles to S. cerevisiae and the resulting clustering was also seen by transmission electron microscopy.

  16. Nuclear magnetic resonance analysis of freeze-thaw damage in natural pumice concrete

    OpenAIRE

    Wang, Xiaoxiao; Shen, Xiangdong; Wang, Hailong; Gao, Chu; Zhang, Tong

    2016-01-01

    This paper presents an analysis of the damage propagation features of the pore structure of natural pumice lightweight aggregate concrete (LWC) under freeze-thaw cyclic action. After freeze-thaw cycling, we conducted nuclear magnetic resonance (NMR) tests on the concrete and acquired the porosity, distribution of transverse relaxation time T2, and magnetic resonance imaging (MRI) results. The results showed the following. The T2 distribution of the LWC prior to freeze-thaw cycling presented f...

  17. SQUIDs vs. Induction Coils for Ultra-Low Field Nuclear Magnetic Resonance: Experimental and Simulation Comparison

    OpenAIRE

    Matlashov, Andrei N.; Schultz, Larry J.; Espy, Michelle A.; Kraus, Robert H.; Savukov, Igor M.; Volegov, Petr L.; Wurden, Caroline J.

    2011-01-01

    Nuclear magnetic resonance (NMR) is widely used in medicine, chemistry and industry. One application area is magnetic resonance imaging (MRI). Recently it has become possible to perform NMR and MRI in the ultra-low field (ULF) regime requiring measurement field strengths of the order of only 1 Gauss. This technique exploits the advantages offered by superconducting quantum interference devices or SQUIDs. Our group has built SQUID based MRI systems for brain imaging and for liquid explosives d...

  18. Materials of the 39 Polish Seminar on Nuclear Magnetic Resonance and Its Applications - Abstracts

    International Nuclear Information System (INIS)

    The Report comprises abstracts of 78 communications presented during the 39 Polish Seminar on Nuclear Magnetic Resonance and Its Applications, held on November, 30 - December, 2006 in Cracow (PL). They cover a variety of research fields, including magnetic resonance imaging in vivo, applications of NMR spectroscopy to medical diagnosis, studies on molecular properties of different materials as well as quantum chemical calculations of NMR parameters

  19. 41 Polish Seminar on Nuclear Magnetic Resonance and Its Applications - Abstracts

    International Nuclear Information System (INIS)

    The Report consist of abstracts of 63 communications presented during the 41 Polish Seminar on Nuclear Magnetic Resonance and Its Applications, held on December 1-2, 2008 in Cracow. Presentations cover a variety of research fields, including magnetic resonance imaging in vivo, applications of NMR spectroscopy to medical diagnosis, studies on molecular properties of different materials as well as quantum chemical calculations of NMR parameters

  20. An absolute nuclear magnetic resonance magnetometer; Magnetometre absolu a resonance magnetique nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Salvi, A. [Commisariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

    1961-10-15

    After an introduction in which the various work undertaken since the discovery of nuclear magnetic resonance is rapidly reviewed, the author describes briefly In the first chapter three types of NMR magnetometers, giving the advantages and disadvantages of each of them and deducing from this the design of the apparatus having the greatest number of qualities Chapter II is devoted to the crossed coil nuclear oscillator which operates continuously over a wide range (800 gamma). To avoid an error due to a carrying over the frequency, the measurement is carried out using bands of 1000 {gamma}. Chapter III deals with frequency measurements. The author describes an original arrangement which makes possible the frequency-field conversion with an accuracy of {+-} 5 x 10{sup -6}, and the differential measurement between two nuclear oscillators. The report finishes with a conclusion and a few recordings. (author) [French] Apres une introduction rappelant les divers travaux effectues en resonance magnetique nucleaire depuis sa mise en evidence, l'auteur decrit sommairement dans le premier chapitre trois types de magnetometre a R.M.N. enumerant les avantages et les inconvenients de chacun a partir desquels il projet, l'appareillage reunissant le maximum de qualites. Le chapitre II est consacre a l'oscillateur nucleaire a bobines croisees permettant un fonctionnement continu dons une large plage (800 gamma). Pour eviter une erreur due a l'entrainement de frequence, la mesure s'effectue par bandes de 1000 {gamma} chacune. Le chapitre III traite la mesure de frequence. L'auteur expose un montage original permettant la traduction frequence-champ avec une precision egale a {+-} 5.10{sup -6}, et la mesure differentielle entre deux oscillateurs nucleaires. Une conclusion et quelques enregistrements terminent ce travail. (auteur)

  1. Enhanced nuclear magnetic resonance in a non-magnetic cubic doublet

    International Nuclear Information System (INIS)

    In this thesis two lanthanide compounds are studied which show enhanced nuclear magnetism at low temperatures: Rb2NaHoF6 and CsNaHoF6. Chapter II gives a description of the 4He-circulating refrigerator, which was built to provide the low temperatures required for the polarization of the enhanced nuclear moments. This type of dilution refrigerator was chosen because of its simple design and large cooling power. Chapter III is devoted to a comparison of the different types of dilution refrigerators. A theoretical discussion is given of their performance, starting from the differential equations, which govern the temperature distribution in the refrigerator. In chapter IV the actual performance of the refrigerator, described in chapter II is discussed. In chapter V a description of the NMR-apparatus, developed for very-low-temperature NMR experiments is given. In chapter VI experimental results on the compound Rb2NaHoF6 are presented. The CEF-ground state of this compound is probably the non-magnetic doublet GAMMA3, but at a temperature of 170 K a structural phase transition lowers the crystal symmetry from cubic to tetragonal and the doublet is split into two singlets. In chapter VII specific heat, (enhanced) nuclear magnetic resonance and magnetization measurements on the compound Cs2NaHoF6 are presented which also has a GAMMA3-doublet ground state. In zero magnetic field the degeneracy of the doublet is removed at a temperature of 393 mK, where a phase transition is induced by quadrupolar interactions. (Auth.)

  2. Analysis of the transient response of nuclear spins in GaAs with/without nuclear magnetic resonance

    Science.gov (United States)

    Rasly, Mahmoud; Lin, Zhichao; Yamamoto, Masafumi; Uemura, Tetsuya

    2016-05-01

    As an alternative to studying the steady-state responses of nuclear spins in solid state systems, working within a transient-state framework can reveal interesting phenomena. The response of nuclear spins in GaAs to a changing magnetic field was analyzed based on the time evolution of nuclear spin temperature. Simulation results well reproduced our experimental results for the transient oblique Hanle signals observed in an all-electrical spin injection device. The analysis showed that the so called dynamic nuclear polarization can be treated as a cooling tool for the nuclear spins: It works as a provider to exchange spin angular momentum between polarized electron spins and nuclear spins through the hyperfine interaction, leading to an increase in the nuclear polarization. In addition, a time-delay of the nuclear spin temperature with a fast sweep of the external magnetic field produces a possible transient state for the nuclear spin polarization. On the other hand, the nuclear magnetic resonance acts as a heating tool for a nuclear spin system. This causes the nuclear spin temperature to jump to infinity: i.e., the average nuclear spins along with the nuclear field vanish at resonant fields of 75As, 69Ga and 71Ga, showing an interesting step-dip structure in the oblique Hanle signals. These analyses provide a quantitative understanding of nuclear spin dynamics in semiconductors for application in future computation processing.

  3. Analysis of the transient response of nuclear spins in GaAs with/without nuclear magnetic resonance

    Directory of Open Access Journals (Sweden)

    Mahmoud Rasly

    2016-05-01

    Full Text Available As an alternative to studying the steady-state responses of nuclear spins in solid state systems, working within a transient-state framework can reveal interesting phenomena. The response of nuclear spins in GaAs to a changing magnetic field was analyzed based on the time evolution of nuclear spin temperature. Simulation results well reproduced our experimental results for the transient oblique Hanle signals observed in an all-electrical spin injection device. The analysis showed that the so called dynamic nuclear polarization can be treated as a cooling tool for the nuclear spins: It works as a provider to exchange spin angular momentum between polarized electron spins and nuclear spins through the hyperfine interaction, leading to an increase in the nuclear polarization. In addition, a time-delay of the nuclear spin temperature with a fast sweep of the external magnetic field produces a possible transient state for the nuclear spin polarization. On the other hand, the nuclear magnetic resonance acts as a heating tool for a nuclear spin system. This causes the nuclear spin temperature to jump to infinity: i.e., the average nuclear spins along with the nuclear field vanish at resonant fields of 75As, 69Ga and 71Ga, showing an interesting step-dip structure in the oblique Hanle signals. These analyses provide a quantitative understanding of nuclear spin dynamics in semiconductors for application in future computation processing.

  4. Development of nuclear magnetic resonance tomography technology - TORM

    International Nuclear Information System (INIS)

    The development of hardware and software necessary to implement the Magnetic Resonance Imaging (MRI) techniques is described. The major subjects were the construction of an aquisition and control system which allowed the operation of a pulsed Fourier NMR spectrometer as a NMR Tomograph; further it was oriented the developing of a NMR spectrometer whose parameters could be easily reconfigured by the controlling system. As a result a sofisticated equipment which allows, more than the proposed, working with high resolution spectroscopic techniques and spectroscopy in solids, was obtained. Since the basic techniques employed in NMR and CT Tomographs are well known, a great emphasis was also given on the understanding of the image reconstruction techniques that constitutes today the frontier of research in this area. The results obtained with the system described here are considered good, comparable to the results from commercial units developed in cooperation with imaging groups located in universities abroad. (author)

  5. Nuclear magnetic resonance at millitesla fields using a zero-field spectrometer

    Science.gov (United States)

    Tayler, Michael C. D.; Sjolander, Tobias F.; Pines, Alexander; Budker, Dmitry

    2016-09-01

    We describe new analytical capabilities for nuclear magnetic resonance (NMR) experiments in which signal detection is performed with chemical resolution (via spin-spin J couplings) in the zero to ultra-low magnetic field region, below 1 μT. Using magnetic fields in the 100 μT to 1 mT range, we demonstrate the implementation of conventional NMR pulse sequences with spin-species selectivity.

  6. Development and applications of NMR [nuclear magnetic resonance] in low fields and zero field

    International Nuclear Information System (INIS)

    This dissertation is about nuclear magnetic resonance (NMR) spectroscopy in the absence of applied magnetic fields. NMR is usually done in large magnetic fields, often as large as can be practically attained. The motivation for going the opposite way, toward zero field, is that for certain types of materials, particularly powdered or polycrystalline solids, the NMR spectra in zero field are easier to interpret than those obtained in high field. 92 refs., 60 figs., 1 tab

  7. High temperature spin dynamics in linear magnetic chains, molecular rings, and segments by nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Adelnia, Fatemeh; Lascialfari, Alessandro [Dipartimento di Fisica, Università degli Studi di Milano and INSTM, Milano (Italy); Dipartimento di Fisica, Università degli Studi di Pavia and INSTM, Pavia (Italy); Mariani, Manuel [Dipartimento di Fisica e Astronomia, Università di Bologna, Bologna (Italy); Ammannato, Luca; Caneschi, Andrea; Rovai, Donella [Dipartimento di Chimica, Università degli Studi di Firenze and INSTM, Firenze (Italy); Winpenny, Richard; Timco, Grigore [School of Chemistry, The University of Manchester, Manchester (United Kingdom); Corti, Maurizio, E-mail: maurizio.corti@unipv.it; Borsa, Ferdinando [Dipartimento di Fisica, Università degli Studi di Pavia and INSTM, Pavia (Italy)

    2015-05-07

    We present the room temperature proton nuclear magnetic resonance (NMR) nuclear spin-lattice relaxation rate (NSLR) results in two 1D spin chains: the Heisenberg antiferromagnetic (AFM) Eu(hfac){sub 3}NITEt and the magnetically frustrated Gd(hfac){sub 3}NITEt. The NSLR as a function of external magnetic field can be interpreted very well in terms of high temperature spin dynamics dominated by a long time persistence of the decay of the two-spin correlation function due to the conservation of the total spin value for isotropic Heisenberg chains. The high temperature spin dynamics are also investigated in Heisenberg AFM molecular rings. In both Cr{sub 8} closed ring and in Cr{sub 7}Cd and Cr{sub 8}Zn open rings, i.e., model systems for a finite spin segment, an enhancement of the low frequency spectral density is found consistent with spin diffusion but the high cut-off frequency due to intermolecular anisotropic interactions prevents a detailed analysis of the spin diffusion regime.

  8. Integrated Geophysical Measurements for Bioremediation Monitoring: Combining Spectral Induced Polarization, Nuclear Magnetic Resonance and Magnetic Methods

    Energy Technology Data Exchange (ETDEWEB)

    Keating, Kristina [Rutgers Univ., Newark, NJ (United States). Dept. of Earth and Environmental Sciences; Slater, Lee [Rutgers Univ., Newark, NJ (United States). Dept. of Earth and Environmental Sciences; Ntarlagiannis, Dimitris [Rutgers Univ., Newark, NJ (United States). Dept. of Earth and Environmental Sciences; Williams, Kenneth H. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Earth Sciences Division

    2015-02-24

    This documents contains the final report for the project "Integrated Geophysical Measurements for Bioremediation Monitoring: Combining Spectral Induced Polarization, Nuclear Magnetic Resonance and Magnetic Methods" (DE-SC0007049) Executive Summary: Our research aimed to develop borehole measurement techniques capable of monitoring subsurface processes, such as changes in pore geometry and iron/sulfur geochemistry, associated with remediation of heavy metals and radionuclides. Previous work has demonstrated that geophysical method spectral induced polarization (SIP) can be used to assess subsurface contaminant remediation; however, SIP signals can be generated from multiple sources limiting their interpretation value. Integrating multiple geophysical methods, such as nuclear magnetic resonance (NMR) and magnetic susceptibility (MS), with SIP, could reduce the ambiguity of interpretation that might result from a single method. Our research efforts entails combining measurements from these methods, each sensitive to different mineral forms and/or mineral-fluid interfaces, providing better constraints on changes in subsurface biogeochemical processes and pore geometries significantly improving our understanding of processes impacting contaminant remediation. The Rifle Integrated Field Research Challenge (IFRC) site was used as a test location for our measurements. The Rifle IFRC site is located at a former uranium ore-processing facility in Rifle, Colorado. Leachate from spent mill tailings has resulted in residual uranium contamination of both groundwater and sediments within the local aquifer. Studies at the site include an ongoing acetate amendment strategy, native microbial populations are stimulated by introduction of carbon intended to alter redox conditions and immobilize uranium. To test the geophysical methods in the field, NMR and MS logging measurements were collected before, during, and after acetate amendment. Next, laboratory NMR, MS, and SIP measurements

  9. Methodology for nuclear magnetic resonance and ion cyclotron resonance mass spectrometry

    International Nuclear Information System (INIS)

    This thesis encompasses methodological developments in both nuclear magnetic resonance and Fourier transform ion cyclotron resonance mass spectrometry. The NMR section explores the effects of scalar relaxation on a coupled nucleus to measure fast exchange rates. In order to quantify these rates accurately, a precise knowledge of the chemical shifts of the labile protons and of the scalar couplings is normally required. We applied the method to histidine where no such information was available a priori, neither about the proton chemical shifts nor about the one-bond scalar coupling constants J(1H15N), since the protons were invisible due to fast exchange. We have measured the exchange rates of the protons of the imidazole ring and of amino protons in histidine by indirect detection via 15N. Not only the exchange rate constants, but also the elusive chemical shifts of the protons and the coupling constants could be determined. For the mass spectrometry section, the ion isolation project was initiated to study the effect of phase change of radiofrequency pulses. Excitation of ions in the ICR cell is a linear process, so that the pulse voltage required for ejecting ions must be inversely proportional to the pulse duration. A continuous sweep pulse propels the ion to a higher radius, whereas a phase reversal causes the ion to come to the centre. This represents the principle of 'notch ejection', wherein the ion for which the phase is reversed is retained in the ICR cell, while the remaining ions are ejected. The manuscript also contains a theoretical chapter, wherein the ion trajectories are plotted by solving the Lorentzian equation for the three-pulse scheme used for two-dimensional ICR. Through our simulations we mapped the ion trajectories for different pulse durations and for different phase relations. (author)

  10. A rapid magnetic resonance acoustic radiation force imaging sequence for ultrasonic refocusing

    Science.gov (United States)

    Mougenot, Charles; Pichardo, Samuel; Engler, Steven; Waspe, Adam; Constanciel Colas, Elodie; Drake, James M.

    2016-08-01

    Magnetic resonance guided acoustic radiation force imaging (MR-ARFI) is being used to correct for aberrations induced by tissue heterogeneities when using high intensity focusing ultrasound (HIFU). A compromise between published MR-ARFI adaptive solutions is proposed to achieve efficient refocusing of the ultrasound beam in under 10 min. In addition, an ARFI sequence based on an EPI gradient echo sequence was used to simultaneously monitor displacement and temperature with a large SNR and low distortion. This study was conducted inside an Achieva 3T clinical MRI using a Philips Sonalleve MR-HIFU system to emit a 1 ms pulsed sonication with duty cycle of 2.3% at 300 Wac inside a polymer phantom. Virtual elements defined by a Hadamard array with sonication patterns composed of 6 phase steps were used to characterize 64 groups of 4 elements to find the optimal phase of the 256 elements of the transducer. The 384 sonication patterns were acquired in 580 s to identify the set of phases that maximize the displacement at the focal point. Three aberrators (neonatal skull, 8 year old skull and a checkered pattern) were added to each sonication pattern to evaluate the performance of this refocusing algorithm (n  =  4). These aberrators reduced the relative intensities to 95.3%, 69.6% and 25.5% for the neonatal skull, 8 year old skull, and checkered pattern virtual aberrators respectively. Using a 10 min refocusing algorithm, relative intensities of 101.6%, 91.3% and 93.3% were obtained. Better relative intensities of 103.9%, 94.3% and 101% were achieved using a 25 min refocusing algorithm. An average temperature increase of 4.2 °C per refocusing test was induced for the 10 min refocusing algorithm, resulting in a negligible thermal dose of 2 EM. A rapid refocusing of the beam can be achieved while keeping thermal effects to a minimum.

  11. A rapid magnetic resonance acoustic radiation force imaging sequence for ultrasonic refocusing.

    Science.gov (United States)

    Mougenot, Charles; Pichardo, Samuel; Engler, Steven; Waspe, Adam; Colas, Elodie Constanciel; Drake, James M

    2016-08-01

    Magnetic resonance guided acoustic radiation force imaging (MR-ARFI) is being used to correct for aberrations induced by tissue heterogeneities when using high intensity focusing ultrasound (HIFU). A compromise between published MR-ARFI adaptive solutions is proposed to achieve efficient refocusing of the ultrasound beam in under 10 min. In addition, an ARFI sequence based on an EPI gradient echo sequence was used to simultaneously monitor displacement and temperature with a large SNR and low distortion. This study was conducted inside an Achieva 3T clinical MRI using a Philips Sonalleve MR-HIFU system to emit a 1 ms pulsed sonication with duty cycle of 2.3% at 300 Wac inside a polymer phantom. Virtual elements defined by a Hadamard array with sonication patterns composed of 6 phase steps were used to characterize 64 groups of 4 elements to find the optimal phase of the 256 elements of the transducer. The 384 sonication patterns were acquired in 580 s to identify the set of phases that maximize the displacement at the focal point. Three aberrators (neonatal skull, 8 year old skull and a checkered pattern) were added to each sonication pattern to evaluate the performance of this refocusing algorithm (n  =  4). These aberrators reduced the relative intensities to 95.3%, 69.6% and 25.5% for the neonatal skull, 8 year old skull, and checkered pattern virtual aberrators respectively. Using a 10 min refocusing algorithm, relative intensities of 101.6%, 91.3% and 93.3% were obtained. Better relative intensities of 103.9%, 94.3% and 101% were achieved using a 25 min refocusing algorithm. An average temperature increase of 4.2 °C per refocusing test was induced for the 10 min refocusing algorithm, resulting in a negligible thermal dose of 2 EM. A rapid refocusing of the beam can be achieved while keeping thermal effects to a minimum. PMID:27401452

  12. Thermal Transition of Ribonuclease A Observed Using Proton Nuclear Magnetic Resonance

    Institute of Scientific and Technical Information of China (English)

    闫永彬; 罗雪春; 周海梦; 张日清

    2001-01-01

    The thermal transition of bovine pancreatic ribonuclease A (RNase A) was investigated using proton nuclear magnetic resonance (NMR). Significant resonance overlap in the large native protein limits accurate assignments in the 1H NMR spectrum. This study proposes extending the investigation of large proteins by dynamic analysis. Comparison of the traditional method and the correlation coefficient method suggests successful application of spectrum image analysis in dynamic protein studies by NMR.

  13. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic

    Science.gov (United States)

    Lovchinsky, I.; Sushkov, A. O.; Urbach, E.; de Leon, N. P.; Choi, S.; De Greve, K.; Evans, R.; Gertner, R.; Bersin, E.; Müller, C.; McGuinness, L.; Jelezko, F.; Walsworth, R. L.; Park, H.; Lukin, M. D.

    2016-02-01

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition.

  14. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic.

    Science.gov (United States)

    Lovchinsky, I; Sushkov, A O; Urbach, E; de Leon, N P; Choi, S; De Greve, K; Evans, R; Gertner, R; Bersin, E; Müller, C; McGuinness, L; Jelezko, F; Walsworth, R L; Park, H; Lukin, M D

    2016-02-19

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition.

  15. Development and optimization of resonators and ways of detection in nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Aims of this dissertation were to construct resonators for very high flux densities and to develop appropriate probe bases. These were successfully realized with numerous resonators as well as two kinds of probe bases. Furthermore, new techniques and methods of signal detection were developed and evaluated. Magnetic flux guides, which were unknown in NMR up until now were used for the first time for both transmission and reception. Moreover, an optical acquisition technique based on the Faraday effect was realized and evaluated

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-06-14

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

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

    DEFF Research Database (Denmark)

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

    2001-01-01

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

  18. Nuclear magnetic resonance study of point defects in aluminium and copper

    International Nuclear Information System (INIS)

    The principles of Nuclear Magnetic Resonance for the determination of electrical field gradients on successive nuclei shells around a point defect are given. Results in copper and aluminium containing specific impurities or monovacancies are discussed. Measurements in electron irradiated copper show unambiguously that monovacancies migrate during stage III. (author)

  19. Water balance in Cucumis plants measured by nuclear magnetic resonance. 2.

    NARCIS (Netherlands)

    Reinders, J.E.A.; As, van H.; Schaafsma, T.J.; Sheriff, D.W.

    1988-01-01

    Nuclear magnetic resonance (NMR) was used to investigate the effects of changes in root temperature, of changes in the area of root in contact with culture solution and of day/night rhythm on the water balance of a cucumber and a gherkin plant. Results are discussed in terms of water potential, flow

  20. Quantitative Analysis of Nail Polish Remover Using Nuclear Magnetic Resonance Spectroscopy Revisited

    Science.gov (United States)

    Hoffmann, Markus M.; Caccamis, Joshua T.; Heitz, Mark P.; Schlecht, Kenneth D.

    2008-01-01

    Substantial modifications are presented for a previously described experiment using nuclear magnetic resonance (NMR) spectroscopy to quantitatively determine analytes in commercial nail polish remover. The revised experiment is intended for a second- or third-year laboratory course in analytical chemistry and can be conducted for larger laboratory…

  1. The Complexation of the Na(super +) by 18-Crown-6 Studied via Nuclear Magnetic Resonance

    Science.gov (United States)

    Peters, Steven J.; Stevenson, Cheryl D.

    2004-01-01

    A student friendly experiment that teaches several important concepts of modern nuclear magnetic resonance (NMR), like multinuclear capabilities, the NMR time scale, and time-averaged signals, is described along with some important concepts of thermo chemical equilibria. The mentioned experiment involves safe and inexpensive compounds, such as…

  2. Nuclear magnetic resonance and sound velocity measurements of chalk saturated with magnesium rich brine

    DEFF Research Database (Denmark)

    Katika, Konstantina; Alam, Mohammad Monzurul; Fabricius, Ida Lykke

    2013-01-01

    The use of low field Nuclear Magnetic Resonance (NMR) to determine petrophysical properties of reservoirs has proved to be a good technique. Together with sonic and electrical resistivity measurements, NMR can contribute to illustrate the changes on chalk elasticity due to different pore water...

  3. Towards nuclear magnetic resonance micro-spectroscopy and micro-imaging.

    NARCIS (Netherlands)

    Bentum, P.J.M. van; Janssen, J.W.G.; Kentgens, A.P.M.

    2004-01-01

    The first successful experiments demonstrating Nuclear Magnetic Resonance (NMR) were a spin-off from the development of electromagnetic technology and its introduction into civilian life in the late forties. It was soon discovered that NMR spectra held chemically relevant information making it usefu

  4. Study of coals by high resolution solid state nuclear magnetic resonance

    Institute of Scientific and Technical Information of China (English)

    杨保联; 冯继文; 周建威; 李丽云; 叶朝辉

    1999-01-01

    By using high resolution solid state nuclear magnetic resonance method, six coal samples coming from four countries were investigated. Twelve structural parameters of these samples were measured and compared with those of Chinese coals. Spectral editing experiment was carried out and 15N NMR spectrum was obtained.

  5. A Noninvasive Method to Study Regulation of Extracellular Fluid Volume in Rats Using Nuclear Magnetic Resonance

    Science.gov (United States)

    Time-domain nuclear magnetic resonance (TD-NMR)-based measurement of body composition of rodents is an effective method to quickly and repeatedly measure proportions of fat, lean, and fluid without anesthesia. TD-NMR provides a measure of free water in a living animal, termed % f...

  6. Determination of the Defining Boundary in Nuclear Magnetic Resonance Diffusion Experiments

    OpenAIRE

    Laun, Frederik Bernd; Kuder, Tristan Anselm; Semmler, Wolfhard; Stieltjes, Bram

    2010-01-01

    While nuclear magnetic resonance diffusion experiments are widely used to resolve structures confining the diffusion process, it has been elusive whether they can exactly reveal these structures. This question is closely related to X-ray scattering and to Kac's "hear the drum" problem. Although the shape of the drum is not "hearable", we show that the confining boundary of closed pores can indeed be detected using modified Stejskal-Tanner magnetic field gradients that preserve the phase infor...

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

    OpenAIRE

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

    2001-01-01

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

  8. Nuclear quadrupole resonance studies of the SORC sequence and nuclear magnetic resonance studies of polymers

    International Nuclear Information System (INIS)

    The behavior of induction signals during steady-state pulse irradiation in 14N NQR was investigated experimentally. Because Strong Off-resonance Comb (SORC) signals recur as long as the pulsing continues, very efficient signal-averaging can result. The dependence of these steady-state SORC signals on pulse parameters and on frequency offset are presented, together with a discussion of the applicability of the method. Also as part of the NQR work, cocaine base has been detected using conventional NQR techniques. The experimental results show that SORC detection can be of sufficient sensitivity to form the basis of narcotics screening devices for both mail and airline baggage. A new NMR technique, to obtain the correlation time of the random thermal motion of a polymer at temperatures near the glass transition has been introduced. The temperature dependence is a result of thermal motion. For slow-motion of a polymer chain near the glass transition, the CSA parameter begins to decrease. This motional narrowing can be interpreted to yield the correlation time of the thermal motion. In this work nitrocellulose isotopically highly enriched with 15N was studied at four different temperatures between 27 degrees and 120 degrees Celsius and the correlation times for polymer backbone motions were obtained. Naflon films containing water (D2O and H217O) and methanol (CH3OD, CH317OH), have been studied using deuteron and oxygen-17 NMR spectroscopy. Glassy behavior of the water domains at low temperature is evidenced by the specific nature of the 2H NMR lineshapes. Activation energies extracted from 2H spin-lattice relaxation data on the high temperature side of the T1 minimum exhibit a steady increase with increasing water content. In spite of a high degree of molecular mobility, angular-dependent spectra of both unstretched and stretched samples reflect considerable anisotrophy of the host polymer

  9. Cut and paste RNA for nuclear magnetic resonance, paramagnetic resonance enhancement, and electron paramagnetic resonance structural studies.

    Science.gov (United States)

    Duss, Olivier; Diarra Dit Konté, Nana; Allain, Frédéric H-T

    2015-01-01

    RNA is a crucial regulator involved in most molecular processes of life. Understanding its function at the molecular level requires high-resolution structural information. However, the dynamic nature of RNA complicates structure determination because crystallization is often not possible or can result in crystal-packing artifacts resulting in nonnative structures. To study RNA and its complexes in solution, we described an approach in which large multi-domain RNA or protein-RNA complex structures can be determined at high resolution from isolated domains determined by nuclear magnetic resonance (NMR) spectroscopy, and then constructing the entire macromolecular structure using electron paramagnetic resonance (EPR) long-range distance constraints. Every step in this structure determination approach requires different types of isotope or spin-labeled RNAs. Here, we present a simple modular RNA cut and paste approach including protocols to generate (1) small isotopically labeled RNAs (<10 nucleotides) for NMR structural studies, which cannot be obtained by standard protocols, (2) large segmentally isotope and/or spin-labeled RNAs for diamagnetic NMR and paramagnetic relaxation enhancement NMR, and (3) large spin-labeled RNAs for pulse EPR spectroscopy.

  10. Nuclear Quadrupole Resonance Studies of the Sorc Sequence and Nuclear Magnetic Resonance Studies of Polymers.

    Science.gov (United States)

    Jayakody, Jayakody R. Pemadasa

    1993-01-01

    The behavior of induction signals during steady -state pulse irradiation in ^{14} N NQR was investigated experimentally. Because Strong Off-resonance Comb (SORC) signals recur as long as the pulsing continues, very efficient signal-averaging can result. The dependence of these steady-state SORC signals on pulse parameters and on frequency offset are presented, together with a discussion of the applicability of the method. Also as part of the NQR work, Cocaine base has been detected using conventional NQR techniques. The experimental results show that SORC detection can be of sufficient sensitivity to form the basis of narcotics screening devices for both mail and airline baggage. A new NMR technique, to obtain the correlation time of the random thermal motion of a polymer at temperatures near the glass transition has been introduced. The temperature dependence is a result of thermal motion. For slow-motion of a polymer chain near the glass transition, the CSA parameter begins to decrease. This motional narrowing can be interpreted to yield the correlation time of the thermal motion. In this work Nitrocellulose isotopically highly enriched with ^{15}N was studied at four different temperatures between 27^ circ and 120^circ Celsius and the correlation times for polymer backbone motions were obtained. Nafion films containing, water (D_2 O and H_2^{17}O) and methanol (CH_3OD, CH _3^{17}OH), have been studied using Deuteron and Oxygen-17 NMR spectroscopy. Glassy behavior of the water domains at low temperature is evidenced by the specific nature of the ^2H NMR lineshapes. Activation energies extracted from ^2H spin-lattice relaxation data on the high temperature side of the T_1 minimum exhibit a steady increase with increasing water content. In spite of a high degree of molecular mobility, angular-dependent spectra of both unstretched and stretched samples reflect considerable anisotropy of the host polymer. Activation volumes corresponding to a specific dynamical

  11. 43. Polish Seminar on Nuclear Magnetic Resonance and its Applications. Cracow. Abstracts

    International Nuclear Information System (INIS)

    42 Polish Seminar on Nuclear Magnetic Resonance and its Applications, held on 1-2 December 2010 in Cracow (Poland), was devoted to the development of different magnetic resonance techniques and application of such techniques as crucial part of the studies. The Report contains 58 short descriptions of the contributions submitted by the participants of the Seminar. They cover all areas of the NMR application in major branches of basic chemistry, structural biology, medicine and materials science. Also recent results of the quantum chemical calculations of the NMR parameters are presented.

  12. A method for mechanical generation of radio frequency fields in nuclear magnetic resonance force microscopy

    CERN Document Server

    Wagenaar, J J T; Donkersloot, R J; Marsman, F; de Wit, M; Bossoni, L; Oosterkamp, T H

    2016-01-01

    We present an innovative method for magnetic resonance force microscopy (MRFM) with ultra-low dissipation, by using the higher modes of the mechanical detector as radio frequency (rf) source. This method allows MRFM on samples without the need to be close to an rf source. Furthermore, since rf sources require currents that give dissipation, our method enables nuclear magnetic resonance experiments at ultra-low temperatures. Removing the need for an on-chip rf source is an important step towards a MRFM which can be widely used in condensed matter physics.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-31

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

  14. Acoustic spin pumping in magnetoelectric bulk acoustic wave resonator

    Science.gov (United States)

    Polzikova, N. I.; Alekseev, S. G.; Pyataikin, I. I.; Kotelyanskii, I. M.; Luzanov, V. A.; Orlov, A. P.

    2016-05-01

    We present the generation and detection of spin currents by using magnetoelastic resonance excitation in a magnetoelectric composite high overtone bulk acoustic wave (BAW) resonator (HBAR) formed by a Al-ZnO-Al-GGG-YIG-Pt structure. Transversal BAW drives magnetization oscillations in YIG film at a given resonant magnetic field, and the resonant magneto-elastic coupling establishes the spin-current generation at the Pt/YIG interface. Due to the inverse spin Hall effect (ISHE) this BAW-driven spin current is converted to a dc voltage in the Pt layer. The dependence of the measured voltage both on magnetic field and frequency has a resonant character. The voltage is determined by the acoustic power in HBAR and changes its sign upon magnetic field reversal. We compare the experimentally observed amplitudes of the ISHE electrical field achieved by our method and other approaches to spin current generation that use surface acoustic waves and microwave resonators for ferromagnetic resonance excitation, with the theoretically expected values.

  15. Acoustic spin pumping in magnetoelectric bulk acoustic wave resonator

    Directory of Open Access Journals (Sweden)

    N. I. Polzikova

    2016-05-01

    Full Text Available We present the generation and detection of spin currents by using magnetoelastic resonance excitation in a magnetoelectric composite high overtone bulk acoustic wave (BAW resonator (HBAR formed by a Al-ZnO-Al-GGG-YIG-Pt structure. Transversal BAW drives magnetization oscillations in YIG film at a given resonant magnetic field, and the resonant magneto-elastic coupling establishes the spin-current generation at the Pt/YIG interface. Due to the inverse spin Hall effect (ISHE this BAW-driven spin current is converted to a dc voltage in the Pt layer. The dependence of the measured voltage both on magnetic field and frequency has a resonant character. The voltage is determined by the acoustic power in HBAR and changes its sign upon magnetic field reversal. We compare the experimentally observed amplitudes of the ISHE electrical field achieved by our method and other approaches to spin current generation that use surface acoustic waves and microwave resonators for ferromagnetic resonance excitation, with the theoretically expected values.

  16. Transformation of Symmetrization Order to Nuclear-Spin Magnetization by Chemical Reaction and Nuclear Magnetic Resonance

    OpenAIRE

    Bowers, C. Russell; Weitekamp, Daniel P.

    1986-01-01

    A method of obtaining very large nuclear-spin polarizations is proposed and illustrated by density-operator calculations. The prediction is that chemical reaction and rf irradiation can convert the scalar parahydrogen state into polarization of order unity on the nuclear spins of the products of molecular-hydrogen addition reactions. A means of extending the resultant sensitivity enhancement to other spins is proposed in which the transfer of order occurs through population differences not as...

  17. Advances in magnetic resonance 10

    CERN Document Server

    Waugh, John S

    2013-01-01

    Advances in Magnetic Resonance, Volume 10, presents a variety of contributions to the theory and practice of magnetic resonance. The book contains three chapters that examine superoperators in magnetic resonance; ultrasonically modulated paramagnetic resonance; and the utility of electron paramagnetic resonance (EPR) and electron-nuclear double-resonance (ENDOR) techniques for studying low-frequency modes of atomic fluctuations and their significance for understanding the mechanism of structural phase transitions in solids.

  18. Tunnel-diode resonator and nuclear magnetic resonance studies of low-dimensional magnetic and superconducting systems

    Science.gov (United States)

    Yeninas, Steven Lee

    This thesis emphasizes two frequency-domain techniques which uniquely employ radio frequency (RF) excitations to investigate the static and dynamic properties of novel magnetic and superconducting materials. The first technique is a tunnel-diode resonator (TDR) which detects bulk changes in the dynamic susceptibility, chi = dM/dH. The capability of TDR to operate at low temperatures (less than 100 mK) and high fields (up to 65 T in pulsed fields) was critical for investigations of the antiferromagnetically correlated magnetic molecules Cr12Cu2 and Cr12 Ln4 (Ln = Y, Eu, Gd, Tb, Dy, Ho, Er, Yb), and the superconductor SrFe2(As1--xPx) 2 (x = 0.35). Investigations of Cr12Cu 2 and Cr12Ln4 demonstrates the first implementation of TDR to experimentally investigate the lowlying energy spectra of magnetic molecules in pulsed magnetic fields. Zeeman splitting of the quantum spin states results in transitions between field-dependent ground state energy levels observed as peaks in dM/dH at 600 mK, and demonstrate good agreement with theoretical calculations using a isotropic Heisenberg spin Hamiltonian. Increasing temperature to 2.5 K, TDR reveals a rich spectrum of frequency-dependent level crossings from thermally populated excited states which cannot be observed by conventional static magnetometry techniques. The last study presented uses TDR in pulsed fields to determine the temperature-dependent upper-critical field Hc2 to investigate the effects of columnar defects arising from heavy ion irradiation of SrFe2(As 1--xPx)2. Results suggest irradiation uniformly suppresses Tc and Hc2, and does not introduce additional features on H c2(T) and the shapes of the anisotropic Hc2 curves indicates a nodal superconducting gap. The second technique is nuclear magnetic resonance (NMR) which yields site specific magnetic and electronic information arising from hyperfine interactions for select magnetic nuclei. NMR spectra and nuclear spin-lattice relaxation measurements are reported

  19. Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide

    DEFF Research Database (Denmark)

    Kjær, Hanna; Nielsen, Monia R.; Pagola, Gabriel I.;

    2012-01-01

    In this paper we present the so far most extended investigation of the calculation of the coupling constant polarizability of a molecule. The components of the coupling constant polarizability are derivatives of the NMR indirect nuclear spin-spin coupling constant with respect to an external elec...

  20. Analysis of antimycin A by reversed-phase liquid chromatography/nuclear magnetic-resonance spectrometry

    Science.gov (United States)

    Ha, Steven T.K.; Wilkins, Charles L.; Abidi, Sharon L.

    1989-01-01

    A mixture of closely related streptomyces fermentation products, antimycin A, Is separated, and the components are identified by using reversed-phase high-performance liquid chromatography with directly linked 400-MHz proton nuclear magnetic resonance detection. Analyses of mixtures of three amino acids, alanine, glycine, and valine, are used to determine optimal measurement conditions. Sensitivity increases of as much as a factor of 3 are achieved, at the expense of some loss in chromatographic resolution, by use of an 80-μL NMR cell, Instead of a smaller 14-μL cell. Analysis of the antimycin A mixture, using the optimal analytical high performance liquid chromatography/nuclear magnetic resonance conditions, reveals it to consist of at least 10 closely related components.

  1. Negotiated identities of chemical instrumentation: the case of nuclear magnetic resonance spectroscopy, 1956-1969.

    Science.gov (United States)

    Roberts, Jody A

    2003-05-01

    What is an NMR spectrometer? Beginning with this seemingly simple question, I will explore the development of nuclear magnetic resonance spectroscopy between the years 1956 and 1969 from two vantage points: the organic chemists who used the new instrument, and Varian Associates-the makers of the first NMR spectrometers-. Through an examination of the articles and advertisements published in the Journal of Organic Chemistry, I will draw two conclusions. First, organic chemists and Varian Associates (along with other actors) are co-responsible for the development of nuclear magnetic resonance spectroscopy (i.e., NMR spectroscopy was not created by a single actor). Second, by changing the way NMR spectrometers are used, organic chemists attempted to change to the identity of the instrument. Similarly, when Varian Associates advertised their NMR spectrometers in a different way, they, too, attempted to change the identity of the instrument.

  2. Simulation of general three-body interactions in a nuclear magnetic resonance ensemble quantum computer

    Institute of Scientific and Technical Information of China (English)

    LIU WenZhang; ZHANG JingFu; DENG ZhiWei; LONG GuiLu

    2008-01-01

    Three-body interaction plays an important role in many-body physics, and quantum computer is efficient in simulating many-body interactions. We have experimentally demonstrated the general three-body interactions in a three-qubit nuclear magnetic resonance ensemble quantum computer. Using a nuclear magnetic resonance computer we implemented general forms of three-body interactions including σx1σ,z2σx3 andUxUzUy, σx1σz2σy3 The results show good agreement between theory and experiment. We have also given a concise and practical formula for a general n-body interaction in terms of one-and two-body interactions.

  3. Simulation of general three-body interactions in a nuclear magnetic resonance ensemble quantum computer

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Three-body interaction plays an important role in many-body physics,and quantum computer is efficient in simulating many-body interactions. We have experimentally demonstrated the general three-body interactions in a three-qubit nuclear magnetic resonance ensemble quantum computer. Using a nuclear magnetic resonance computer we implemented general forms of three-body interactions including σ 1x σ z2 σ x3 and σ 1x σ z2 σ y3 . The results show good agreement between theory and experiment. We have also given a concise and practical formula for a general n-body interaction in terms of one-and two-body interactions.

  4. CARBON AND DEUTERIUM NUCLEAR MAGNETIC RESONANCE IN SOLIDS

    Energy Technology Data Exchange (ETDEWEB)

    Shattuck, Thomas Wayne

    1976-07-01

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

  5. Tissue-Specific Metabolic Profile Study of Moringa oleifera L. Using Nuclear Magnetic Resonance Spectroscopy

    OpenAIRE

    Mahmud, Iqbal; Chowdhury, Kamal; Boroujerdi, Arezue

    2014-01-01

    Moringa oleifera, an important multipurpose crop, is rich in various phytochemicals: flavonoids, antioxidants, vitamins, minerals and carotenes. The purpose of this study was to profile the groups of metabolites in leaf and stem tissues of M. oleifera. Various sugars, amino acids, and organic acid derivatives were found in all of the M. oleifera tissues with different profiles/peak intensities depending on the tissue. 1D proton nuclear magnetic resonance (NMR) was applied for collecting metab...

  6. Cell culture device and microchamber which can be monitored using nuclear magnetic resonance

    OpenAIRE

    Celda-Muñoz, Bernardo; Esteve-Moya, Vicent; Sancho-Bielsa, Francisco; Villa Sanz, Rosa; Fernández Ledesma, Luis José; Berganzo Ruiz, Javier

    2010-01-01

    [EN] The invention relates to a cell culture device and microchamber which can be monitored using nuclear magnetic resonance and other imaging techniques, in which the culture microchamber is encapsulated and housed inside a chip. The microchamber and the device are easy for the user to handle, allowing same to be handled or repositioned without requiring complex mounting operations. In addition, the invention allows cultures to be studied for long periods, great...

  7. Simulation of the four-body interaction in a nuclear magnetic resonance quantum information processor

    Institute of Scientific and Technical Information of China (English)

    LIU WenZhang; ZHANG JingFu; LONG GuiLu

    2009-01-01

    The four-body interaction plays an important role in many-body systems,and it can exhibit interesting phase transition behaviors.In this letter,we report the experimental demonstration of a four-body interaction in a four-qubit nuclear magnetic resonance quantum information processor.The strongly modulating pulse is used to implement spin selective excitation.The results show a good agreement between theory and experiment.

  8. Theory and applications of maps on SO(3) in nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Theoretical approaches and experimental work in the design of multiple pulse sequences in Nuclear Magnetic Resonance (NMR) are the subjects of this dissertation. Sequences of discrete pulses which reproduce the nominal effect of single pulses, but over substantially broader, narrower, or more selective ranges of transition frequencies, radiofrequency field amplitudes, and spin-spin couplings than the single pulses they replace, are developed and demonstrated. 107 refs., 86 figs., 6 tabs

  9. Surface Nuclear Magnetic Resonance (SNMR) - A new method for exploration of ground water and aquifer properties

    OpenAIRE

    U. Yaramanci

    2000-01-01

    The Surface Nuclear Magnetic Resonance (SNMR) method is a fairly new technique in geophysics to assess ground water, i.e. existence, amount and productibility by measurements at the surface. The NMR technique used in medicine, physics and lately in borehole geophysics was adopted for surface measurements in the early eighties, and commercial equipment for measurements has been available since the mid nineties. The SNMR method has been tested at sites in Northern Germany with Quaternary sand a...

  10. 1H and 31P nuclear magnetic resonance spectroscopy of erythrocyte extracts in myotonic muscular dystrophy

    International Nuclear Information System (INIS)

    Extracts freshly prepared from erythrocytes of patients with myotonic muscular dystrophy, their unaffected siblings, and normal control subjects were examined with both 1H and 31P nuclear magnetic resonance spectroscopy. A moderate variability was found in the relative amounts of various nonphosphorylated compounds among patients and control subjects; however, no significant differences were found between the groups. As for the phosphorylated compounds, the sum of ADP+ATP was found significantly elevated in the myotonic muscular dystrophy patients

  11. 19-Fluorine nuclear magnetic resonance chemical shift variability in trifluoroacetyl species

    OpenAIRE

    Sloop, Joseph

    2013-01-01

    Joseph C SloopSchool of Science and Technology, Georgia Gwinnett College, Lawrenceville, GA, USAAbstract: This review examines the variability of chemical shifts observed in 19-fluorine (19F) nuclear magnetic resonance spectra for the trifluoroacetyl (TFA) functional group. The range of 19F chemical shifts reported spectra for the TFA group varies generally from −85 to −67 ppm relative to CFCl3. The literature revealed several factors that impact chemical shifts of the TFA...

  12. Exhibition of the periodicity of Quantum Fourier Transformation in Nuclear Magnetic Resonance

    OpenAIRE

    Peng, Xinhua; Zhu, Xiwen; Fang, Ximing; Feng, Mang; Yang, Xiaodong; Liu, Maili; Gao, Kelin

    2002-01-01

    The remarkable capability of quantum Fourier transformation (QFT) to extract the periodicity of a given periodic function has been exhibited by using nuclear magnetic resonance (NMR) techniques. Two separate sets of experiments were performed. In a full QFT, the periodicity were validated with state tomography and fidelity measurements. For a simplified QFT, the three-qubit pseudo-pure state was created by introducting an additional observer spin, and the spectra recorded on the observer spin...

  13. An interferometric complementarity experiment in a bulk Nuclear Magnetic Resonance ensemble

    OpenAIRE

    Peng, Xinhua; Zhu, Xiwen; Fang, Ximing; Feng, Mang; Liu, Maili; Gao, Kelin

    2002-01-01

    We have experimentally demonstrated the interferometric complementarity, which relates the distinguishability $D$ quantifying the amount of which-way (WW) information to the fringe visibility $V$ characterizing the wave feature of a quantum entity, in a bulk ensemble by Nuclear Magnetic Resonance (NMR) techniques. We primarily concern on the intermediate cases: partial fringe visibility and incomplete WW information. We propose a quantitative measure of $D$ by an alternative geometric strateg...

  14. Preparation of pseudo-pure states by line-selective pulses in Nuclear Magnetic Resonance

    OpenAIRE

    Peng, Xinhua; Zhu, Xiwen; Fang, Ximing; Feng, Mang; Gao, Keli; Yang, Xiaodong; Liu, Maili

    2000-01-01

    A new method of preparing the pseudo-pure state of a spin system for quantum computation in liquid nuclear magnetic resonance (NMR) was put forward and demonstrated experimentally. Applying appropriately connected line-selective pulses simultaneously and a field gradient pulse techniques we acquired straightforwardly all pseudo-pure states for two qubits in a single experiment much efficiently. The signal intensity with the pseudo-pure state prepared in this way is the same as that of tempora...

  15. Proceedings of the 37. Polish Seminar on Nuclear Magnetic Resonance and its Applications

    International Nuclear Information System (INIS)

    37. Polish Seminar on Nuclear Magnetic Resonance and Its Applications is Cyclically organised forum for discussing the actual problems, achievements and perspectives of methodology and interpretation of NMR. At presenting edition the problems of NMR imaging in medicine diagnostics, studies of biologically important organic molecules as well as inorganic compounds being interesting for microelectronics and catalysis have been especially emphasized. The progress in computerized simulation for NMR spectra interpretation has been also performed in numerous presentations

  16. Biosynthetic pathways in Methanospirillum hungatei as determined by 13C nuclear magnetic resonance.

    OpenAIRE

    Ekiel, I; Smith, I C; Sprott, G D

    1983-01-01

    The main metabolic pathways in Methanospirillum hungatei GP1 were followed by using 13C nuclear magnetic resonance, with 13C-labeled acetate and CO2 as carbon sources. The labeling patterns found in carbohydrates, amino acids, lipids, and nucleosides were consistent with the formation of pyruvate from acetate and CO2 as the first step in biosynthesis. Carbohydrates are formed by the glucogenic pathway, and no scrambling of label was observed, indicating that the oxidative or reductive pentose...

  17. Instruments and Domains of Knowledge: The Case of Nuclear Magnetic Resonance Spectroscopy, 1956-1969

    OpenAIRE

    Roberts, Jody Alan

    2002-01-01

    In this thesis, I traced the development of Nuclear Magnetic Resonance (NMR) Spectroscopy through the pages of the Journal of Organic Chemistry (JOC) from the year 1956 to 1969 to understand how organic chemists and Varian Associates?the makers of the first commercial NMR spectrometers?negotiated the identity of the NMR spectrometer. The work of the organic chemists was examined through their publications in the JOC. Examining the abstracts from the JOC between the years 1956 and 1969 devel...

  18. Nuclear magnetic resonance as a tool for on-line catalytic reaction monitoring

    OpenAIRE

    Buljubasich, Lisandro

    2010-01-01

    Nuclear Magnetic Resonance (NMR) has become a well-established method in many different areas of research. The scope of the disciplines involved is extremely broad ad is still expanding, encompassing chemical, petrochemical, biological and medical research, plant physiology, aerospace engineering, process engineering, industrial food processing, materials and polymer sciences. But the power of NMR, lies in its ability to combine and extend the available techniques for a more thorough solution...

  19. Coaxial probe for nuclear magnetic resonance diffusion and relaxation correlation experiments

    Science.gov (United States)

    Tang, Yiqiao; Hürlimann, Martin; Mandal, Soumyajit; Paulsen, Jeffrey; Song, Yi-Qiao

    2014-02-01

    A coaxial nuclear magnetic resonance (NMR) probe is built to measure diffusion and relaxation properties of liquid samples. In particular, we demonstrate the acquisition of two-dimensional (2D) distribution functions (T1-T2 and diffusion-T2), essential for fluids characterization. The compact design holds promise for miniaturization, thus enabling the measurement of molecular diffusion that is inaccessible to conventional micro-NMR setups. Potential applications range from crude oil characterization to biomolecular screening and detections.

  20. Carbon and deuterium nuclear magnetic resonance in solids

    International Nuclear Information System (INIS)

    Results are presented on a study of cross polarization dynamics, between protons and carbon-13 in adamantane, by the direct observation of the dilute, carbon-13 spins. A comparison is presented of the experimental and theoretical proton dipolar fluctuation correlation time tau/sub c/, which is experimentally 110 +- 15 μsec and theoretically 122 μsec for adamantane. An approach to high resolution NMR of deuterium in solids is described. The m = 1 → --1 transition is excited by a double quantum process and the decay of coherence Q(tau) is monitored. The carboxyl and the water deuterium shifts are resolved and the anisotropy of the carboxyl shielding tensor is estimated to be Δ sigma = 32 +- ppM. A complete theoretical analysis is presented. The extension of cross relaxation techniques, both direct and indirect, to proton-deuterium double resonance is also described

  1. Structure Determination of Natural Products by Nuclear Magnetic Resonance Spectroscopy

    Science.gov (United States)

    Li, Du.

    High-field NMR experiments were used to determine the full structures of six new natural products extracted from plants. These are: four saponins (PT-2, P1, P2 and P3) from the plant Alphitonia zizyphoides found in Samoa; one sesquiterpene (DF-4) from Douglas fir and one diterpene derivative (E-2) from a Chinese medicinal herb. By concerted use of various 1D and 2D NMR techniques, the structures of the above compounds were established and complete resonance assignments were achieved. The 2D INADEQUATE technique coupled with a computerized spectral analysis was extensively used. When carried out on concentrations as low as 60 mg of sample, this technique provided absolute confirmation of the assignments for 35 of the possible 53 C-C bonds for PT-2. On 30 mg of sample of E-21, it revealed 22 of 28 possible C-C bonds.

  2. Dynamic nuclear polarization-magnetic resonance imaging at low ESR irradiation frequency for ascorbyl free radicals

    OpenAIRE

    Shinji Ito; Fuminori Hyodo

    2016-01-01

    Highly water-soluble ubiquinone-0 (CoQ0) reacts with ascorbate monoanion (Asc) to mediate the production of ascorbyl free radicals (AFR). Using aqueous reaction mixture of CoQ0 and Asc, we obtained positively enhanced dynamic nuclear polarization (DNP)-magnetic resonance (MR) images of the AFR at low frequency (ranging from 515 to 530 MHz) of electron spin resonance (ESR) irradiation. The shape of the determined DNP spectrum was similar to ESR absorption spectra with doublet spectral peaks. T...

  3. Atomic force microscopy-coupled microcoils for cellular-scale nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Mousoulis, Charilaos; Maleki, Teimour; Ziaie, Babak; Neu, Corey P.

    2013-04-01

    We present the coupling of atomic force microscopy (AFM) and nuclear magnetic resonance (NMR) technologies to enable topographical, mechanical, and chemical profiling of biological samples. Here, we fabricate and perform proof-of-concept testing of radiofrequency planar microcoils on commercial AFM cantilevers. The sensitive region of the coil was estimated to cover an approximate volume of 19.4 × 103 μm3 (19.4 pl). Functionality of the spectroscopic module of the prototype device is illustrated through the detection of 1Η resonance in deionized water. The acquired spectra depict combined NMR capability with AFM that may ultimately enable biophysical and biochemical studies at the single cell level.

  4. Two-state kinetics character ized by image analysis of nuclear magnetic resonance spectra

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    Nuclear magnetic resonance (NMR) spectroscopy has become an important tool in modern biological research. NMR spectra image analysis can be used to analyze the kinetics of biomacromolecular conformational changes.The relationship between the image parameters and the protein dynamics was investigated by using a small globular protein ω-conotoxin SO3 (ω-CTX SO3). The physical meanings of the image parameters were characterized from the results. Comparison of the data from the traditional integral area of specific resonance peaks method and the NMR image analysis method showed the advantages of using NMR spectra image analysis for kinetic analysis of two-state processes monitored by 1D proton NMR.

  5. Nuclear magnetic resonance on selected lithium based compounds

    Energy Technology Data Exchange (ETDEWEB)

    Rudisch, Christian

    2013-11-26

    This thesis presents the NMR measurements on the single crystals LiMnPO{sub 4} and Li{sub 0.9}FeAs. Therefore, the thesis is divided into two separated sections. The first part reports on the competitive next generation cathode material LiMnPO{sub 4} with a stable reversible capacity up to 145 mAh/g and a rather flat discharge voltage curve at 4.1 V. For the basic understanding of the material the magnetic properties have been investigated by a Li and P NMR study in the paramagnetic and antiferromagnetic phase. LiMnPO{sub 4} shows a strong anisotropy of the dipolar hyperfine coupling due to the strong local magnetic moments at the Mn site. The corresponding dipole tensor of the Li- and P-nuclei is fully determined by orientation and temperature dependent NMR experiments and compared to the calculated values from crystal structure data. Deviations of the experimentally determined values from the theoretical ones are discussed in terms of Mn disorder which could have an impact on the mobility of the Li ions. The disorder is corroborated by diffuse X-ray diffraction experiments which indicate a shift of the heavy elements in the lattice, namely the Mn atoms. Furthermore, the spin arrangement in the relative strong field of 7.0494 T in the antiferromagnetic state is understood by the NMR measurements. In order to obtain parameters of the Li ion diffusion in LiMnPO{sub 4} measurements of the spin lattice relaxation rate were performed. Due to the strong dipolar coupling between the Li-nuclei and the magnetic moments at the Mn site it is difficult to extract parameters which can characterize the diffusive behavior of the Li ions. The second section reports on the AC/DC susceptibility and NMR/NQR studies on Li deficit samples labeled as Li{sub 0.9}FeAs. LiFeAs belongs to the family of the superconducting Pnictides which are discovered in 2008 by H. Hosono et al. In recent studies the stoichiometric compound reveals triplet superconductivity below T{sub c}-18 K which

  6. Nuclear Magnetic Resonance Quantum Computing Using Liquid Crystal Solvents

    CERN Document Server

    Yannoni, C S; Vandersypen, L M K; Miller, D C; Kubinec, M G; Chuang, I L; Yannoni, Costantino S.; Sherwood, Mark H.; Vandersypen, Lieven M.K.; Miller, Dolores C.; Kubinec, Mark G.; Chuang, Isaac L.

    1999-01-01

    Liquid crystals offer several advantages as solvents for molecules used for NMR quantum computing (NMRQC). The dipolar coupling between nuclear spins manifest in the NMR spectra of molecules oriented by a liquid crystal permits a significant increase in clock frequency, while short spin-lattice relaxation times permit fast recycling of algorithms, and save time in calibration and signal-enhancement experiments. Furthermore, the use of liquid crystal solvents offers scalability in the form of an expanded library of spin-bearing molecules suitable for NMRQC. These ideas are demonstrated with the successful execution of a 2-qubit Grover search using a molecule ($^{13}$C$^{1}$HCl$_3$) oriented in a liquid crystal and a clock speed eight times greater than in an isotropic solvent. Perhaps more importantly, five times as many logic operations can be executed within the coherence time using the liquid crystal solvent.

  7. Enhanced affinity of ketotifen toward tamarind seed polysaccharide in comparison with hydroxyethylcellulose and hyaluronic acid: a nuclear magnetic resonance investigation.

    Science.gov (United States)

    Uccello-Barretta, Gloria; Nazzi, Samuele; Balzano, Federica; Di Colo, Giacomo; Zambito, Ylenia; Zaino, Chiara; Sansò, Marco; Salvadori, Eleonora; Benvenuti, Marco

    2008-08-01

    Nuclear magnetic resonance (NMR) spectroscopy demonstrated that, in aqueous solution, ketotifen fumarate bound more strongly to tamarind seed polysaccharide (TSP) than to hydroxyethylcellulose or hyaluronic acid. Results were confirmed by dynamic dialysis technique.

  8. Electrically detected nuclear magnetic resonance in GaAs/AlGaAs-based quantum point contacts

    Science.gov (United States)

    Keane, Zachary; Godfrey, Matthew; Burke, Adam; Chen, Jason; Fricke, Sebastian; Klochan, Oleh; Micolich, Adam; Beere, Harvey; Ritchie, Dave; Trunov, Kirill; Reuter, Dirk; Wieck, Andreas; Hamilton, Alex

    2011-03-01

    Nuclear magnetic resonance (NMR) is a well-known technique with widespread applications in physics, chemistry and medicine. Conventional NMR studies use inductive coils to detect the magnetic field produced by precessing nuclear spins; this approach requires on the order of 1012 spins for detection. Recently, resistive detection of NMR through the hyperfine interaction has been demonstrated with electrons in mesoscopic 2- and 1-dimensional devices based on high-quality GaAs/AlGaAs heterostructures. These studies are typically sensitive to 108 spins, enabling NMR on much smaller sample volumes. Holes are predicted to have much weaker nuclear spin coupling than electrons, which could be relevant to the emerging fields of spintronics and quantum information processing. We present a preliminary comparison between the magnitude of the NMR signal in electron and hole quantum point contacts.

  9. Resolution and sensitivity of high field nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    The arrival of very high field magnets and cryogenic circuitries, and the development of relaxation-optimized pulse sequences have added powerful tools for increasing sensitivity and resolution in NMR studies of biomacromolecules. The potential of these advances is not fully realized in practice, however, since current experimental protocols do not permit sufficient data sampling for optimal resolution in the indirect dimensions. Here we analyze quantitatively how increasing resolution in indirect dimensions affects the S/N ratio and compare this with currently used sampling routines. Optimal resolution would require sampling up to ∼3R2-1, and the S/N reaches a maximum at ∼1.2R2-1. Currently used data acquisition protocols rarely sample beyond 0.4R2-1, and extending evolution times would result in prohibitively long experiments. We show that a general solution to this problem is to use non-uniform sampling, where only a small subset of data points in the indirect sampling space are measured, and possibly different numbers of transients are collected for different evolution times. Coupled with modern methods of spectrum analysis, this strategy delivers substantially improved resolution and/or reduced measuring times compared to uniform sampling, without compromising sensitivity. Higher resolution in the indirect dimensions will facilitate the use of automated assignment programs

  10. Electromagnetic Properties of Inner Double Walled Carbon Nanotubes Investigated by Nuclear Magnetic Resonance

    Directory of Open Access Journals (Sweden)

    M. Bouhrara

    2013-01-01

    Full Text Available The nuclear magnetic resonance (NMR analytical technique was used to investigate the double walled carbon nanotubes (DWNTs electromagnetic properties of inner walls. The local magnetic and electronic properties of inner nanotubes in DWNTs were analyzed using 25% 13C enriched C60 by which the effect of dipolar coupling could be minimized. The diamagnetic shielding was determined due to the ring currents on outer nanotubes in DWNTs. The NMR chemical shift anisotropy (CSA spectra and spin-lattice relaxation studies reveal the metallic properties of the inner nanotubes with a signature of the spin-gap opening below 70 K.

  11. Electromagnetic properties of inner double walled carbon nanotubes investigated by nuclear magnetic resonance

    KAUST Repository

    Bouhrara, M.

    2013-01-01

    The nuclear magnetic resonance (NMR) analytical technique was used to investigate the double walled carbon nanotubes (DWNTs) electromagnetic properties of inner walls. The local magnetic and electronic properties of inner nanotubes in DWNTs were analyzed using 25% 13C enriched C 60 by which the effect of dipolar coupling could be minimized. The diamagnetic shielding was determined due to the ring currents on outer nanotubes in DWNTs. The NMR chemical shift anisotropy (CSA) spectra and spin-lattice relaxation studies reveal the metallic properties of the inner nanotubes with a signature of the spin-gap opening below 70 K.

  12. Two-dimensional nuclear magnetic resonance studies of molecular structure in liquids and liquid crystals

    Energy Technology Data Exchange (ETDEWEB)

    Rucker, S.P.

    1991-07-01

    Magnetic couplings between protons, such as through-space dipole couplings, and scalar J-couplings depend sensitively on the structure of the molecule. Two dimensional nuclear magnetic resonance experiments provide a powerful tool for measuring these couplings, correlating them to specific pairs of protons within the molecule, and calculating the structure. This work discusses the development of NMR methods for examining two such classes of problems -- determination of the secondary structure of flexible molecules in anisotropic solutions, and primary structure of large biomolecules in aqueous solutions. 201 refs., 84 figs., 19 tabs.

  13. Nuclear magnetic resonance of external protons using continuous dynamical decoupling with shallow NV centers

    Science.gov (United States)

    de Las Casas, Charles; Ohno, Kenichi; Awschalom, David D.

    2015-03-01

    The nitrogen vacancy (NV) center in diamond is a paramagnetic defect with excellent spin properties that can reside within a few nanometers of the diamond surface, enabling atomic-scale magnetic resonance sensing of external nuclear spins. Here we use rotating frame longitudinal spin relaxation (T1ρ) based sensing schemes, known as Continuous Dynamical Decoupling (CDD), to detect external nuclear spins with shallow NV centers (Tesla. The increased sensitivity of this method relative to pulsed dynamical decoupling techniques demonstrates the benefits of CDD for sensing with very shallow NV centers. This work was supported by DARPA, AFOSR, and the DIAMANT program.

  14. Nuclear magnetic resonance spectroscopy is highly sensitive for lipid-soluble metabolites***

    Institute of Scientific and Technical Information of China (English)

    Haiyang Dai; Bikai Hong; Zhifeng Xu; Lian Ma; Yaowen Chen; Yeyu Xiao; Renhua Wu

    2013-01-01

    Although the water-soluble metabolite profile of human mesenchymal stem cel s is known, the lipid profile stil needs further investigation. In this study, methanol-chloroform was used to extract pid-soluble metabolites and perchloric acid was used to extract water-soluble metabolites. Fur-thermore, a dual phase extraction method using methanol-chloroform and water was used to obtain both water and lipid fractions simultaneously. Al metabolite extractions were analyzed on a 9.4T high-resolution nuclear magnetic resonance spectrometer. Metabolite resonance peaks were as-signed in the acquired spectra according to the chemical shift, and the extraction efficiency of ferent methods was compared. Results showed that in the spectra of water-soluble extracts, major metabolites comprised low molecular weight metabolites, including lactate, acetic acid, fatty acids, threonine, glutamic acid, creatine, choline and its derivatives, while in the spectra of lipid-soluble extracts, most metabolites were assigned to fatty acids. Among the different extraction procedures, perchloric acid was more efficient in extracting water-soluble metabolites and methanol-chloroform was efficient in extracting organic components compared with the dual phase extraction method. Nuclear magnetic resonance spectroscopy showed that as low as 0.7 mg organic yield was enough to obtain clear resonance peaks, while about 6.0 mg water-soluble yield was needed to obtain rela-tively favorable spectral lines. These results show that the efficiency of extracting water and lipid fractions is higher using perchloric acid and methanol-chloroform compared with dual phase ex-traction and that nuclear magnetic resonance spectroscopy is highly sensitive for analyzing li-pid-soluble extracts.

  15. Using microcontact printing to fabricate microcoils on capillaries for high resolution proton nuclear magnetic resonance on nanoliter volumes

    Energy Technology Data Exchange (ETDEWEB)

    Rogers, J.A.; Jackman, R.J.; Whitesides, G.M. [Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138 (United States); Olson, D.L.; Sweedler, J.V. [Beckman Institute and Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

    1997-05-01

    This letter describes a method for producing conducting microcoils for high resolution proton nuclear magnetic resonance ({sup 1}H-NMR) spectroscopy on nanoliter volumes. This technique uses microcontact printing and electroplating to form coils on microcapillaries. Nuclear magnetic resonance spectra collected using these microcoils, have linewidths less than 1 Hz for model compounds and a limit of detection (signal-to-noise ratio=3) for ethylbenzene of 2.6 nmol in 13 min. {copyright} {ital 1997 American Institute of Physics.}

  16. Magnetic resonance of phase transitions

    CERN Document Server

    Owens, Frank J; Farach, Horacio A

    1979-01-01

    Magnetic Resonance of Phase Transitions shows how the effects of phase transitions are manifested in the magnetic resonance data. The book discusses the basic concepts of structural phase and magnetic resonance; various types of magnetic resonances and their underlying principles; and the radiofrequency methods of nuclear magnetic resonance. The text also describes quadrupole methods; the microwave technique of electron spin resonance; and the Mössbauer effect. Phase transitions in various systems such as fluids, liquid crystals, and crystals, including paramagnets and ferroelectrics, are also

  17. Magnetic Lenz lenses increase the limit-of-detection in nuclear magnetic resonance

    CERN Document Server

    Spengler, Nils; Meissner, Markus V; Wallrabe, Ulrike; Korvink, Jan G

    2016-01-01

    A high NMR detection sensitivity is indispensable when dealing with mass and volume-limited samples, or whenever a high spatial resolution is required. The use of miniaturised RF coils is a proven way to increase sensitivity, but may be impractical and is not applicable to every experimental situation. We present the use of magnetic lenses, denoted as Lenz lenses due to their working principle, to focus the magnetic flux of a macroscopic RF coil into a smaller volume and thereby locally enhance the sensitivity of the NMR experiment - at the expense of the total sensitive volume. Besides focusing, such lenses facilitate re-guiding or re-shaping of magnetic fields much like optical lenses do with light beams. For the first time we experimentally demonstrate the use of Lenz lenses in magnetic resonance and provide a compact mathematical description of the working principle. Through simulations we show that optimal arrangements can be found.

  18. Prospects for Sub-Micron Solid State Nuclear Magnetic Resonance Imaging with Low-Temperature Dynamic Nuclear Polarization

    OpenAIRE

    Thurber, Kent R.; Tycko, Robert

    2010-01-01

    We evaluate the feasibility of 1H nuclear magnetic resonance (NMR) imaging with sub-micron voxel dimensions using a combination of low temperatures and dynamic nuclear polarization (DNP). Experiments are performed on nitroxide-doped glycerol/water at 9.4 T and temperatures below 40 K, using a 30 mW tunable microwave source for DNP. With DNP at 7 K, a 0.5 µl sample yields a 1H NMR signal-to-noise ratio of 770 in two scans with pulsed spin-lock detection and after 80 db signal attenuation. With...

  19. Advances in magnetic resonance 11

    CERN Document Server

    Waugh, John S

    2013-01-01

    Advances in Magnetic Resonance, Volume 11, presents a variety of contributions to the theory and practice of magnetic resonance. The book contains three chapters and begins with a discussion of the principles and applications of dynamic nuclear polarization, with emphasis on molecular motions and collisions, intermolecular couplings, and chemical interactions. Subsequent chapters focus on the assessment of a proposed broadband decoupling method and studies of time-domain (or Fourier transform) multiple-quantum nuclear magnetic resonance.

  20. Billion-fold enhancement in sensitivity of nuclear magnetic resonance spectroscopy for magnesium ions in solution.

    Science.gov (United States)

    Gottberg, Alexander; Stachura, Monika; Kowalska, Magdalena; Bissell, Mark L; Arcisauskaite, Vaida; Blaum, Klaus; Helmke, Alexander; Johnston, Karl; Kreim, Kim; Larsen, Flemming H; Neugart, Rainer; Neyens, Gerda; Garcia Ruiz, Ronald F; Szunyogh, Daniel; Thulstrup, Peter W; Yordanov, Deyan T; Hemmingsen, Lars

    2014-12-15

    β-nuclear magnetic resonance (NMR) spectroscopy is highly sensitive compared to conventional NMR spectroscopy, and may be applied for several elements across the periodic table. β-NMR has previously been successfully applied in the fields of nuclear and solid-state physics. In this work, β-NMR is applied, for the first time, to record an NMR spectrum for a species in solution. (31)Mg β-NMR spectra are measured for as few as 10(7) magnesium ions in ionic liquid (EMIM-Ac) within minutes, as a prototypical test case. Resonances are observed at 3882.9 and 3887.2 kHz in an external field of 0.3 T. The key achievement of the current work is to demonstrate that β-NMR is applicable for the analysis of species in solution, and thus represents a novel spectroscopic technique for use in general chemistry and potentially in biochemistry. PMID:25303164

  1. Billion-Fold Enhancement in Sensitivity of Nuclear Magnetic Resonance Spectroscopy for Magnesium Ions in Solution

    CERN Document Server

    Gottberg, Alexander; Kowalska, Magdalena; Bissell, Mark L; Arcisauskaite, Vaida; Blaum, Klaus; Helmke, Alexander; Johnston, Karl; Kreim, Kim; Larsen, Flemming H; Neugart, Rainer; Neyens, Gerda; Garcia Ruiz, Ronald F; Szunyogh, Daniel; Thulstrup, Peter W; Yordanov, Deyan T; Hemmingsen, Lars

    2014-01-01

    β-nuclear magnetic resonance (NMR) spectroscopy is highly sensitive compared to conventional NMR spectroscopy, and may be applied for several elements across the periodic table. β-NMR has previously been successfully applied in the fields of nuclear and solid-state physics. In this work, β-NMR is applied, for the first time, to record an NMR spectrum for a species in solution. 31Mg β-NMR spectra are measured for as few as 107 magnesium ions in ionic liquid (EMIM-Ac) within minutes, as a prototypical test case. Resonances are observed at 3882.9 and 3887.2 kHz in an external field of 0.3 T. The key achievement of the current work is to demonstrate that β-NMR is applicable for the analysis of species in solution, and thus represents a novel spectroscopic technique for use in general chemistry and potentially in biochemistry.

  2. Nuclear magnetic resonance common laboratory, quadrennial report; Laboratoire commun de resonance magnetique nucleaire, rapport quadriennal 1994-1997

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1994-12-31

    This quadrennial report of the nuclear magnetic resonance common laboratory gives an overview of the main activities. Among the different described activities, only one is interesting for the INIS database: it concerns the Solid NMR of cements used for radioactive wastes storage. In this case, the NMR is used to characterize the structure of the material and the composition, structure and kinetics of formation of the alteration layer which is formed at the surface of concrete during water leaching conditions. The NMR methodology is given. (O.M.)

  3. Bioengineered Magnetoferritin Nanoprobes for Single-Dose Nuclear-Magnetic Resonance Tumor Imaging.

    Science.gov (United States)

    Zhao, Yanzhao; Liang, Minmin; Li, Xiao; Fan, Kelong; Xiao, Jie; Li, Yanli; Shi, Hongcheng; Wang, Fei; Choi, Hak Soo; Cheng, Dengfeng; Yan, Xiyun

    2016-04-26

    Despite all the advances in multimodal imaging, it remains a significant challenge to acquire both magnetic resonance and nuclear imaging in a single dose because of the enormous difference in sensitivity. Indeed, nuclear imaging is almost 10(6)-fold more sensitive than magnetic resonance imaging (MRI); thus, repeated injections are generally required to obtain sufficient MR signals after nuclear imaging. Here, we show that strategically engineered magnetoferritin nanoprobes can image tumors with high sensitivity and specificity using SPECT and MRI in living mice after a single intravenous injection. The magnetoferritin nanoprobes composed of (125)I radionuclide-conjugated human H-ferritin iron nanocages ((125)I-M-HFn) internalize robustly into cancer cells via a novel tumor-specific HFn-TfR1 pathway. In particular, the endocytic recycling characteristic of TfR1 transporters solves the nuclear signal blocking issue caused by the high dose nanoprobes injected for MRI, thus enabling simultaneous functional and morphological tumor imaging without reliance on multi-injections.

  4. [Recent progress in nuclear magnetic resonance spectrum for drug research and development].

    Science.gov (United States)

    Zhong, Jun; Jiang, Xue-mei

    2015-01-01

    In the process of modern drug research, the new methods and technologies which can detect drug molecules' chemical composition, structure and interaction with biomolecules are always the key scientific problems people care about. Spectra (including IR, UV and NMR) are the most common analytical methods, of which NMR can obtain detailed parameter about the nucleus of organic molecules through researching the laws of nuclear transition in the impact of surrounding chemical environment. The parameter contains rich information about the chemical composition, structure and interaction with other molecules of organic molecules. In many complex environments, such as liquid, solid or gas state, even biological in situ environment, NMR can provide molecules' chemical composition, atomic-resolution three-dimensional structure, information of interaction with each other and dynamic process, especially the information about drug interacting with biomacromolecules. In recent years, the applications of nuclear magnetic resonance spectrum in drug research and development are more and more widespread. This paper reviewed its recent progress in structure and dynamic of targeted biological macromolecules, drug design and screening and drug metabolism in drug research and development. In the first part, we gave a brief introduction of nuclear magnetic resonance technology and its applications in drug research. In the second part, we explained the basic principles briefly and summarized progress in methods and techniques for drug research. In the third part, we discussed applications of nuclear magnetic resonance ir structure and dynamic of targeted biological macromolecules, drug design and screening and drug metabolism in detail. The conclusions were stated in the last part.

  5. Magnetic Resonance Facility (Fact Sheet)

    Energy Technology Data Exchange (ETDEWEB)

    2012-03-01

    This fact sheet provides information about Magnetic Resonance Facility capabilities and applications at NREL's National Bioenergy Center. Liquid and solid-state analysis capability for a variety of biomass, photovoltaic, and materials characterization applications across NREL. NREL scientists analyze solid and liquid samples on three nuclear magnetic resonance (NMR) spectrometers as well as an electron paramagnetic resonance (EPR) spectrometer.

  6. Modeling the nuclear magnetic resonance behavior of lung: from electrical engineering to critical care medicine.

    Science.gov (United States)

    Cutillo, A G; Ailion, D C

    1999-01-01

    The present article reviews the basic principles of a new approach to the characterization of pulmonary disease. This approach is based on the unique nuclear magnetic resonance (NMR) properties of the lung and combines experimental measurements (using specially developed NMR techniques) with theoretical simulations. The NMR signal from inflated lungs decays very rapidly compared with the signal from completely collapsed (airless) lungs. This phenomenon is due to the presence of internal magnetic field inhomogeneity produced by the alveolar air-tissue interface (because air and water have different magnetic susceptibilities). The air-tissue interface effects can be detected and quantified by magnetic resonance imaging (MRI) techniques using temporally symmetric and asymmetric spin-echo sequences. Theoretical models developed to explain the internal (tissue-induced) magnetic field inhomogeneity in aerated lungs predict the NMR lung behavior as a function of various technical and physiological factors (e.g., the level of lung inflation) and simulate the effects of various lung disorders (in particular, pulmonary edema) on this behavior. Good agreement has been observed between the predictions obtained from the mathematical models and the results of experimental NMR measurements in normal and diseased lungs. Our theoretical and experimental data have important pathophysiological and clinical implications, especially with respect to the characterization of acute lung disease (e.g., pulmonary edema) and the management of critically ill patients.

  7. Methodological aspects in the calculation of parity-violating effects in nuclear magnetic resonance parameters.

    Science.gov (United States)

    Weijo, Ville; Bast, Radovan; Manninen, Pekka; Saue, Trond; Vaara, Juha

    2007-02-21

    We examine the quantum chemical calculation of parity-violating (PV) electroweak contributions to the spectral parameters of nuclear magnetic resonance (NMR) from a methodological point of view. Nuclear magnetic shielding and indirect spin-spin coupling constants are considered and evaluated for three chiral molecules, H2O2, H2S2, and H2Se2. The effects of the choice of a one-particle basis set and the treatment of electron correlation, as well as the effects of special relativity, are studied. All of them are found to be relevant. The basis-set dependence is very pronounced, especially at the electron correlated ab initio levels of theory. Coupled-cluster and density-functional theory (DFT) results for PV contributions differ significantly from the Hartree-Fock data. DFT overestimates the PV effects, particularly with nonhybrid exchange-correlation functionals. Beginning from third-row elements, special relativity is of importance for the PV NMR properties, shown here by comparing perturbational one-component and various four-component calculations. In contrast to what is found for nuclear magnetic shielding, the choice of the model for nuclear charge distribution--point charge or extended (Gaussian)--has a significant impact on the PV contribution to the spin-spin coupling constants. PMID:17328593

  8. Superconducting quantum interference device microsusceptometer balanced over a wide bandwidth for nuclear magnetic resonance applications

    Energy Technology Data Exchange (ETDEWEB)

    Vinante, A., E-mail: anvinante@fbk.eu; Falferi, P. [Istituto di Fotonica e Nanotecnologie, CNR - Fondazione Bruno Kessler, I-38123 Povo, Trento (Italy); Mezzena, R. [Dipartimento di Fisica, Università di Trento, I-38123 Povo, Trento (Italy)

    2014-10-15

    Superconducting Quantum Interference Device (SQUID) microsusceptometers have been widely used to study magnetic properties of materials at microscale. As intrinsically balanced devices, they could also be exploited for direct SQUID-detection of nuclear magnetic resonance (NMR) from micron sized samples, or for SQUID readout of mechanically detected NMR from submicron sized samples. Here, we demonstrate a double balancing technique that enables achievement of very low residual imbalance of a SQUID microsusceptometer over a wide bandwidth. In particular, we can generate ac magnetic fields within the SQUID loop as large as 1 mT, for frequencies ranging from dc up to a few MHz. As an application, we demonstrate direct detection of NMR from {sup 1}H spins in a glycerol droplet placed directly on top of the 20 μm SQUID loops.

  9. Moissanite anvil cell design for giga-pascal nuclear magnetic resonance

    International Nuclear Information System (INIS)

    A new design of a non-magnetic high-pressure anvil cell for nuclear magnetic resonance (NMR) experiments at Giga-Pascal pressures is presented, which uses a micro-coil inside the pressurized region for high-sensitivity NMR. The comparably small cell has a length of 22 mm and a diameter of 18 mm, so it can be used with most NMR magnets. The performance of the cell is demonstrated with external-force vs. internal-pressure experiments, and the cell is shown to perform well at pressures up to 23.5 GPa using 800 μm 6H-SiC large cone Boehler-type anvils. 1H, 23Na, 27Al, 69Ga, and 71Ga NMR test measurements are presented, which show a resolution of better than 4.5 ppm, and an almost maximum possible signal-to-noise ratio

  10. Moissanite anvil cell design for giga-pascal nuclear magnetic resonance

    Science.gov (United States)

    Meier, Thomas; Herzig, Tobias; Haase, Jürgen

    2014-04-01

    A new design of a non-magnetic high-pressure anvil cell for nuclear magnetic resonance (NMR) experiments at Giga-Pascal pressures is presented, which uses a micro-coil inside the pressurized region for high-sensitivity NMR. The comparably small cell has a length of 22 mm and a diameter of 18 mm, so it can be used with most NMR magnets. The performance of the cell is demonstrated with external-force vs. internal-pressure experiments, and the cell is shown to perform well at pressures up to 23.5 GPa using 800 μm 6H-SiC large cone Boehler-type anvils. 1H, 23Na, 27Al, 69Ga, and 71Ga NMR test measurements are presented, which show a resolution of better than 4.5 ppm, and an almost maximum possible signal-to-noise ratio.

  11. Relativistic effects in the intermolecular interaction-induced nuclear magnetic resonance parameters of xenon dimer

    DEFF Research Database (Denmark)

    Hanni, Matti; Lantto, Perttu; Ilias, Miroslav;

    2007-01-01

    Relativistic effects on the 129Xe nuclear magnetic resonance shielding and 131Xe nuclear quadrupole coupling (NQC) tensors are examined in the weakly bound Xe2 system at different levels of theory including the relativistic four-component Dirac-Hartree-Fock (DHF) method. The intermolecular...... hand, for the BPPT-based cross coupling of relativity and correlation. For ?ll, the fully relativistic DMP2 results obtain a correction for NR correlation effects beyond MP2. The computed temperature dependence of the second virial coefficient of the 129Xe nuclear shielding is compared to experiment...... interaction-induced binary chemical shift d, the anisotropy of the shielding tensor ?s, and the NQC constant along the internuclear axis ?ll are calculated as a function of the internuclear distance. DHF shielding calculations are carried out using gauge-including atomic orbitals. For comparison, the full...

  12. Resonant magnetic vortices

    International Nuclear Information System (INIS)

    By using the complex angular momentum method, we provide a semiclassical analysis of electron scattering by a magnetic vortex of Aharonov-Bohm type. Regge poles of the S matrix are associated with surface waves orbiting around the vortex and supported by a magnetic field discontinuity. Rapid variations of sharp characteristic shapes can be observed on scattering cross sections. They correspond to quasibound states which are Breit-Wigner-type resonances associated with surface waves and which can be considered as quantum analogues of acoustic whispering-gallery modes. Such a resonant magnetic vortex could provide a different kind of artificial atom while the semiclassical approach developed here could be profitably extended in various areas of the physics of vortices

  13. Residual Dipolar Couplings in Zero-to-Ultra-Low-Field Nuclear Magnetic Resonance

    CERN Document Server

    Blanchard, John W; King, Jonathan P; Ledbetter, Micah P; Levine, Emma H; Bajaj, Vikram S; Budker, Dmitry; Pines, Alexander

    2015-01-01

    Zero-to-ultra-low-field nuclear magnetic resonance (ZULF-NMR) provides a new regime for the measurement of nuclear spin-spin interactions free from effects of large magnetic fields, such as truncation of terms that do not commute with the Zeeman Hamiltonian. One such interaction, the magnetic dipole-dipole coupling, is a valuable source of spatial information in NMR, though many terms are unobservable in high-field NMR, and the interaction averages to zero under isotropic molecular tumbling. Under partial orientational ordering, this information is retained in the form of so-called residual dipolar couplings. We report zero-to-ultra-low-field NMR measurements of residual dipolar couplings in acetonitrile-2-$^{13}$C aligned in stretched polyvinyl acetate gels. This represents the first investigation of dipolar couplings as a perturbation on the indirect spin-spin $J$-coupling in the absence of an applied magnetic field. As a consequence of working at zero magnetic field, we observe terms of the dipole-dipole c...

  14. A smoothing monotonic convergent optimal control algorithm for nuclear magnetic resonance pulse sequence design

    Science.gov (United States)

    Maximov, Ivan I.; Salomon, Julien; Turinici, Gabriel; Nielsen, Niels Chr.

    2010-02-01

    The past decade has demonstrated increasing interests in using optimal control based methods within coherent quantum controllable systems. The versatility of such methods has been demonstrated with particular elegance within nuclear magnetic resonance (NMR) where natural separation between coherent and dissipative spin dynamics processes has enabled coherent quantum control over long periods of time to shape the experiment to almost ideal adoption to the spin system and external manipulations. This has led to new design principles as well as powerful new experimental methods within magnetic resonance imaging, liquid-state and solid-state NMR spectroscopy. For this development to continue and expand, it is crucially important to constantly improve the underlying numerical algorithms to provide numerical solutions which are optimally compatible with implementation on current instrumentation and at same time are numerically stable and offer fast monotonic convergence toward the target. Addressing such aims, we here present a smoothing monotonically convergent algorithm for pulse sequence design in magnetic resonance which with improved optimization stability lead to smooth pulse sequence easier to implement experimentally and potentially understand within the analytical framework of modern NMR spectroscopy.

  15. Advances in magnetic resonance 12

    CERN Document Server

    Waugh, John S

    2013-01-01

    Advances in Magnetic Resonance, Volume 12, presents a variety of contributions to the theory and practice of magnetic resonance. The book contains six chapters and begins with a discussion of diffusion and self-diffusion measurements by nuclear magnetic resonance. This is followed by separate chapters on spin-lattice relaxation time in hydrogen isotope mixtures; the principles of optical detection of nuclear spin alignment and nuclear quadropole resonance; and the spin-1 behavior, including the relaxation of the quasi-invariants of the motion of a system of pairs of dipolar coupled spin-1/2 nu

  16. Recent Advances in Computational Methods for Nuclear Magnetic Resonance Data Processing

    KAUST Repository

    Gao, Xin

    2013-01-11

    Although three-dimensional protein structure determination using nuclear magnetic resonance (NMR) spectroscopy is a computationally costly and tedious process that would benefit from advanced computational techniques, it has not garnered much research attention from specialists in bioinformatics and computational biology. In this paper, we review recent advances in computational methods for NMR protein structure determination. We summarize the advantages of and bottlenecks in the existing methods and outline some open problems in the field. We also discuss current trends in NMR technology development and suggest directions for research on future computational methods for NMR.

  17. 13C nuclear magnetic resonance spectroscopy in the studies of biosynthetic routes of natural products

    International Nuclear Information System (INIS)

    During the last five decades, as a result of an interaction between natural product chemistry, synthetic organic chemistry, molecular biology and spectroscopy, scientists reached an extraordinary level of comprehension about the natural processes by which living organisms build up complex molecules. In this context, 13C nuclear magnetic resonance spectroscopy, allied with isotopic labeling, played a determinant role. Nowadays, the widespread use of modern NMR techniques allows an even more detailed picture of the biochemical steps by accurate manipulation of the atomic nuclei. This article focuses on the development of such techniques and their impact on biosynthetic studies. (author)

  18. Combining Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations to Characterize Carvedilol Polymorphs.

    Science.gov (United States)

    Rezende, Carlos A; San Gil, Rosane A S; Borré, Leandro B; Pires, José Ricardo; Vaiss, Viviane S; Resende, Jackson A L C; Leitão, Alexandre A; De Alencastro, Ricardo B; Leal, Katia Z

    2016-09-01

    The experiments of carvedilol form II, form III, and hydrate by (13)C and (15)N cross-polarization magic-angle spinning (CP MAS) are reported. The GIPAW (gauge-including projector-augmented wave) method from DFT (density functional theory) calculations was used to simulate (13)C and (15)N chemical shifts. A very good agreement was found for the comparison between the global results of experimental and calculated nuclear magnetic resonance (NMR) chemical shifts for carvedilol polymorphs. This work aims a comprehensive understanding of carvedilol crystalline forms employing solution and solid-state NMR as well as DFT calculations. PMID:26372719

  19. Stability of succinylcholine solutions stored at room temperature studied by nuclear magnetic resonance spectroscopy

    OpenAIRE

    Adnet, Frederic; Moyec, Laurence Le; Smith, Charles E.; Galinski, Michel; Jabre, Patricia; Lapostolle, Frederic

    2007-01-01

    The effect of storage temperature on the stability of two succinylcholine chloride solutions (20 and 50 mg/ml) was evaluated. Molecular composition was analysed using nuclear magnetic resonance spectroscopy. At room temperature, the degradation rate constant was 1.2%/month for the 20 mg/ml solution and 2.1%/month for the 50 mg/ml solution. The corresponding monthly degradation rates for the two solutions were 0.18% and 0.30% when stored at 4°C, and 5.4% and 8.1% when stored at 37°C. If a 10% ...

  20. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Fukushima, Tatsuya; Yamamoto, Junichi; Fukuchi, Masashi; Kaji, Hironori, E-mail: kaji@scl.kyoto-u.ac.jp [Institute for Chemical Research, Kyoto University, Uji, Kyoto 611-0011 (Japan); Hirata, Shuzo; Jung, Heo Hyo; Adachi, Chihaya [Center for Organic Photonics and Electronics Research (OPERA), Kyusyu University, 744 Motooka, Nishi, Fukuoka 819-0395 (Japan); Hirata, Osamu; Shibano, Yuki [Nissan Chemical Industries, LTD, 722-1 Tsuboi, Funabashi 274-8507 (Japan)

    2015-08-15

    Liquid organic light-emitting diodes (liquid OLEDs) are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR) experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation.

  1. Combining Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations to Characterize Carvedilol Polymorphs.

    Science.gov (United States)

    Rezende, Carlos A; San Gil, Rosane A S; Borré, Leandro B; Pires, José Ricardo; Vaiss, Viviane S; Resende, Jackson A L C; Leitão, Alexandre A; De Alencastro, Ricardo B; Leal, Katia Z

    2016-09-01

    The experiments of carvedilol form II, form III, and hydrate by (13)C and (15)N cross-polarization magic-angle spinning (CP MAS) are reported. The GIPAW (gauge-including projector-augmented wave) method from DFT (density functional theory) calculations was used to simulate (13)C and (15)N chemical shifts. A very good agreement was found for the comparison between the global results of experimental and calculated nuclear magnetic resonance (NMR) chemical shifts for carvedilol polymorphs. This work aims a comprehensive understanding of carvedilol crystalline forms employing solution and solid-state NMR as well as DFT calculations.

  2. An interferometric complementarity experiment in a bulk nuclear magnetic resonance ensemble

    Energy Technology Data Exchange (ETDEWEB)

    Peng Xinhua [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Zhu Xiwen [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Fang Ximing [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Feng Mang [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Liu Maili [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China); Gao Kelin [State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071 (China)

    2003-03-14

    We have experimentally demonstrated the interferometric complementarity, which relates the distinguishability D quantifying the amount of which-way (WW) information to the fringe visibility V characterizing the wave feature of a quantum entity, in a bulk ensemble by nuclear magnetic resonance (NMR) techniques. We are primarily concerned about the intermediate cases: partial fringe visibility and incomplete WW information. We propose a quantitative measure of D by an alternative geometric strategy and investigate the relation between D and entanglement. By measuring D and V independently, it turns out that the duality relation D{sup 2} + V{sup 2} = 1 holds for pure quantum states of the markers.

  3. Clinical value of nuclear magnetic resonance imaging (NMR) for the evaluaton of patients with stroke

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance imaging (NMRI) is capable of identifying many more pathologic vascular lesions than CT and may shed more insight into the underlying pathophysiology of cerebrovascular disease. This is a preliminary report on the evaluation with NMRI of some aspects of non-hemorrhagic cerebrovascular disease over the past 2 and a half years. It is divided into three major categories for presentation although they are not mutually exclusive. (1) TIA and RIND; (2) Bilateral extracranial carotid occlusive disease; (3) Cerebral infarction, evolution, emboli and watershed. 48 refs.; 13 figs.; 4 tabs

  4. Molecular Structure Laboratory. Fourier Transform Nuclear Magnetic Resonance (FTNMR) Spectrometer and Ancillary Instrumentation at SUNY Geneseo

    Energy Technology Data Exchange (ETDEWEB)

    Geiger, David K [State Univ. of New York (SUNY), Geneseo, NY (United States)

    2015-12-31

    An Agilent 400-MR nuclear magnetic resonance (NMR) spectrometer and ancillary equipment were purchased, which are being used for molecular structure elucidation.  The instrumentation is housed in a pre-existing facility designed specifically for its use. This instrument package is being used to expand the research and educational efforts of the faculty and students at SUNY-Geneseo and is made available to neighboring educational institutions and business concerns.  Funds were also used for training of College personnel, maintenance of the instrumentation, and installation of the equipment.

  5. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Liquid organic light-emitting diodes (liquid OLEDs) are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR) experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation

  6. A survey on quantitative analysis of organic compounds by nuclear magnetic resonance (NMR) spectroscopy

    International Nuclear Information System (INIS)

    Nuclear Magnetic Resonance (NMR) spectroscopy is known as a powerful analytical technique, which is used to determine the structure of small and macro organic compounds. In recent years, 1H NMR is being recognized more and more as a quantitative analytical method, which is based on the principle where the area under a 1H NMR signal peak in solution state is proportional to the number of nuclei contributing to the peak. In this report, the basic concepts, developmental history and current state of the quantitative 1H NMR (qNMR) method are described. Furthermore, future prospect of the qNMR method is presented. (author)

  7. Nuclear magnetic resonance study of sulfate reorientations in LiNaSO4

    International Nuclear Information System (INIS)

    A nuclear magnetic resonance study of the sulfate ion reorientations in β-LiNaSO4 has been carried out. The influence of the SO4 reorientational jumps on the quadrupolar interactions of 7Li nuclei was investigated by a jump reorientational model, which has not previously been applied to sulfates. The activation energy required for the SO4 reorientations was found to be 0.19 eV. It was also revealed that the SO4 reorientational disorder should be associated with a small anomaly of a heat capacity at around 600 K, which was previously observed experimentally. (paper)

  8. Development of Nuclear Magnetic Resonance Imaging/spectroscopy for improved petroleum recovery. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Barrufet, M.A.; Flumerfelt, F.W.; Walsh, M.P.; Watson, A.T.

    1994-04-01

    The overall objectives of this program are to develop and apply Nuclear Magnetic Resonance Imaging (NMRI) and CT X-Ray Scanning methods for determining rock, fluid, and petrophysical properties and for fundamental studies of multiphase flow behavior in porous media. Specific objectives are divided into four subtasks: (1) development of NMRI and CT scanning for the determination of rock-fluid and petrophysical properties; (2) development of NMRI and CT scanning for characterizing conventional multiphase displacement processes; (3) development of NMR and CT scanning for characterizing dispersed phase processes; and (4) miscible displacement studies.

  9. Geometric optimal control of the contrast imaging problem in Nuclear Magnetic Resonance

    CERN Document Server

    Bonnard, B; Glaser, S J; Lapert, M; Sugny, D; Zhang, Y

    2012-01-01

    The objective of this article is to introduce the tools to analyze the contrast imaging problem in Nuclear Magnetic Resonance. Optimal trajectories can be selected among extremal solutions of the Pontryagin Maximum Principle applied to this Mayer type optimal problem. Such trajectories are associated to the question of extremizing the transfer time. Hence the optimal problem is reduced to the analysis of the Hamiltonian dynamics related to singular extremals and their optimality status. This is illustrated by using the examples of cerebrospinal fluid / water and grey / white matter of cerebrum.

  10. A Methodology to Integrate Magnetic Resonance and Acoustic Measurements for Reservoir Characterization

    Energy Technology Data Exchange (ETDEWEB)

    Parra, Jorge O.; Hackert, Chris L.; Collier, Hughbert A.; Bennett, Michael

    2002-01-29

    The objective of this project was to develop an advanced imaging method, including pore scale imaging, to integrate NMR techniques and acoustic measurements to improve predictability of the pay zone in hydrocarbon reservoirs. This is accomplished by extracting the fluid property parameters using NMR laboratory measurements and the elastic parameters of the rock matrix from acoustic measurements to create poroelastic models of different parts of the reservoir. Laboratory measurement techniques and core imaging are being linked with a balanced petrographical analysis of the core and theoretical model.

  11. High Resolution Nuclear Magnetic Resonance Studies of the Active Site of Chymotrypsin. I. The Hydrogen Bonded Protons of the “Charge Relay” System

    NARCIS (Netherlands)

    Robillard, G.; Shulman, R.G.

    1974-01-01

    High resolution proton nuclear magnetic resonance has been used to observe protons at the active site of chymotrypsin Aδ and at the same region of chymotrypsinogen A. A single resonance with the intensity of one proton is located in the low field region of the nuclear magnetic resonance spectrum. Th

  12. Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects

    Energy Technology Data Exchange (ETDEWEB)

    Urban, Jeffry Todd [Univ. of California, Berkeley, CA (United States)

    2004-01-01

    Experimental and theoretical research conducted in two areas in the field of nuclear magnetic resonance (NMR) spectroscopy is presented: (1) studies of the coherent quantum-mechanical control of the angular momentum dynamics of quadrupolar (spin I > 1/2) nuclei and its application to the determination of molecular structure; and (2) applications of the long-range nuclear dipolar field to novel NMR detection methodologies.The dissertation is organized into six chapters. The first two chapters and associated appendices are intended to be pedagogical and include an introduction to the quantum mechanical theory of pulsed NMR spectroscopy and the time dependent theory of quantum mechanics. The third chapter describes investigations of the solid-state multiple-quantum magic angle spinning (MQMAS) NMR experiment applied to I = 5/2 quadrupolar nuclei. This work reports the use of rotary resonance-matched radiofrequency irradiation for sensitivity enhancement of the I = 5/2 MQMAS experiment. These experiments exhibited certain selective line narrowing effects which were investigated theoretically.The fourth chapter extends the discussion of multiple quantum spectroscopy of quadrupolar nuclei to a mostly theoretical study of the feasibility of enhancing the resolution of nitrogen-14 NMR of large biomolecules in solution via double-quantum spectroscopy. The fifth chapter continues to extend the principles of multiple quantum NMR spectroscopy of quadrupolar nuclei to make analogies between experiments in NMR/nuclear quadrupolar resonance (NQR) and experiments in atomic/molecular optics (AMO). These analogies are made through the Hamiltonian and density operator formalism of angular momentum dynamics in the presence of electric and magnetic fields.The sixth chapter investigates the use of the macroscopic nuclear dipolar field to encode the NMR spectrum of an analyte nucleus indirectly in the magnetization of a sensor nucleus. This technique could potentially serve as an

  13. Nuclear magnetic resonance studies of quadrupolar nuclei and dipolar field effects

    Energy Technology Data Exchange (ETDEWEB)

    Urban, Jeffry Todd

    2004-12-21

    Experimental and theoretical research conducted in two areas in the field of nuclear magnetic resonance (NMR) spectroscopy is presented: (1) studies of the coherent quantum-mechanical control of the angular momentum dynamics of quadrupolar (spin I > 1/2) nuclei and its application to the determination of molecular structure; and (2) applications of the long-range nuclear dipolar field to novel NMR detection methodologies.The dissertation is organized into six chapters. The first two chapters and associated appendices are intended to be pedagogical and include an introduction to the quantum mechanical theory of pulsed NMR spectroscopy and the time dependent theory of quantum mechanics. The third chapter describes investigations of the solid-state multiple-quantum magic angle spinning (MQMAS) NMR experiment applied to I = 5/2 quadrupolar nuclei. This work reports the use of rotary resonance-matched radiofrequency irradiation for sensitivity enhancement of the I = 5/2 MQMAS experiment. These experiments exhibited certain selective line narrowing effects which were investigated theoretically.The fourth chapter extends the discussion of multiple quantum spectroscopy of quadrupolar nuclei to a mostly theoretical study of the feasibility of enhancing the resolution of nitrogen-14 NMR of large biomolecules in solution via double-quantum spectroscopy. The fifth chapter continues to extend the principles of multiple quantum NMR spectroscopy of quadrupolar nuclei to make analogies between experiments in NMR/nuclear quadrupolar resonance (NQR) and experiments in atomic/molecular optics (AMO). These analogies are made through the Hamiltonian and density operator formalism of angular momentum dynamics in the presence of electric and magnetic fields.The sixth chapter investigates the use of the macroscopic nuclear dipolar field to encode the NMR spectrum of an analyte nucleus indirectly in the magnetization of a sensor nucleus. This technique could potentially serve as an

  14. MRI (Magnetic Resonance Imaging)

    Science.gov (United States)

    ... Procedures Medical Imaging MRI (Magnetic Resonance Imaging) MRI (Magnetic Resonance Imaging) Share Tweet Linkedin Pin it More sharing options ... 8 MB) Also available in Other Language versions . Magnetic Resonance Imaging (MRI) is a medical imaging procedure for making ...

  15. Nuclear magnetic resonance in atomic-scale superconductor/magnet multilayered systems

    CERN Document Server

    Kanegae, Y

    2003-01-01

    We investigate the nuclear spin-lattice relaxation rate (T sub 1 T) sup - sup 1 in atomic-scale superconductor/magnet multilayered systems and discuss the discrepancy between two recent (T sub 1 T) sup - sup 1 experiments on Ru in RuSr sub 2 YCu sub 2 O sub 8. When the magnetic layers is are in the antiferromagnetic state, (T sub 1 T) sup - sup 1 in the magnetic layers is shown to decrease with decreasing due to the excitation gap associated with the magnetic ordering. The proximity effect of superconductivity on (T sub 1 T) sup - sup 1 in the magnetic layer is negligibly small. Our result indicates that the temperature dependence of (T sub 1 T) sup - sup 1 on Ru in RuSr sub 2 YCu sub 2 O sub 8 likely originates from the antiferromagnetism in the RuO sub 2 layers, but not from the superconductivity in the CuO sub 2 layers. (author)

  16. 40. Polish Seminar on Nuclear Magnetic Resonance and Its Applications. Cracow, 3-4 December 2007. Abstracts

    International Nuclear Information System (INIS)

    The Report comprises abstracts of 59 communications presented during the 40. Polish Seminar on Nuclear Magnetic Resonance and Its Applications, held on December 3-4, 2007 in Cracow (PL). They cover a variety of research fields, including magnetic resonance imaging in vivo, applications of NMR spectroscopy to medical diagnosis, studies on molecular properties of different materials as well as quantum chemical calculations of NMR parameters

  17. Fluorine-19 nuclear magnetic resonance and biochemical characterization of fluorotyrosine-labeled-thymidylate-synthetase

    Science.gov (United States)

    Rosson, Dan; Lewis, Charles A.; Ellis, Paul D.; Dunlap, R. Bruce

    1994-03-01

    Fluorotyrosine has been incorporated into thymidylate synthetase from Lactobacillus casei by growth of the bacterium in media containing 3-fluorotyrosine. The enzyme exhibited a specific activity 70% of that of the normal enzyme and formed a covalent binary complex with pyrimidine nucleotides, as well as a covalent ternary complex with 5-fluorodeoxyuridylate and 5,10-methylenetetrahydrofolate. 19F nuclear magnetic resonance spectroscopy has been used to follow the formation of these complexes. 5-Fluorodeoxyuridylate, dUMP, dTMP and dCMP produced identical conformational changes in the enzyme as monitored by the fluorotyrosyl resonances. Ternary complex formation of the fluorotyrosine-containing enzyme with 5-fluorodeoxyuridylate and 5,10-methylenetetrahydrofolate resulted in further spectral changes.

  18. 77Se nuclear magnetic resonance of topological insulator Bi2Se3

    Science.gov (United States)

    Georgieva, Nataliya M.; Rybicki, Damian; Guehne, Robin; Williams, Grant V. M.; Chong, Shen V.; Kadowaki, Kazuo; Garate, Ion; Haase, Jürgen

    2016-05-01

    Topological insulators constitute a new class of materials with an energy gap in the bulk and peculiar metallic states on the surface. We report on new features resulting from the bulk electronic structure, based on a comprehensive nuclear magnetic resonance (NMR) study of 77Se on Bi2Se3 and Cu0.15Bi2Se3 single crystals. First, we find two resonance lines and show that they originate from the two inequivalent Se lattice sites. Second, we observe unusual field-independent linewidths and attribute them to an unexpectedly strong internuclear coupling mediated by bulk electrons. In order to support this interpretation, we present a model calculation of the indirect internuclear coupling and show that the Bloembergen-Rowland coupling is much stronger than the Ruderman-Kittel-Kasuya-Yosida coupling. Our results call for a revision of earlier NMR studies and add information concerning the bulk electronic properties.

  19. Interaction of Divalent Metal Ions with the Adenosine Triphosphate Measured Using Nuclear Magnetic Resonance

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The interaction of adenosine triphosphate with divalent metal ions is important in biochemical functions. The effects of pH and metal ions Mg2+, Ca2+, Zn2+, Mn2+, and Co2+ on the chemical shift of the phosphate group of ATP have been studied using Nuclear Magnetic Resonance. The chemical shift of the β-phosphate of ATP is the most sensitive to pH. Ca2+ and Mg2+ bind with the α- and β-phosphate groups of ATP. Zn2+ binds to the adenosine ring hydrogen as well as to phosphate. The paramagnetic ions Mn2+ and Co2+ do not cause chemical shifts of the phosphate or proton peak. Mn2+ and Co2+ broaden the resonance peak only.

  20. Magnetic resonance angiography

    Science.gov (United States)

    MRA; Angiography - magnetic resonance ... Kwong RY. Cardiovascular Magnetic Resonance Imaging. In: Bonow RO, Mann DL, Zipes DP, Libby P, eds. Braunwald's Heart Disease: A Textbook of Cardiovascular Medicine . ...

  1. Pade-Froissart exact signal-noise separation in nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Belkic, Dzevad; Belkic, Karen, E-mail: Dzevad.Belkic@ki.se [Karolinska Institute, PO Box 260, S-171 76 Stockholm (Sweden)

    2011-06-28

    Nuclear magnetic resonance spectroscopy is one of the key methods for studying the structure of matter on different levels (sub-nuclear, nuclear, atomic, molecular, cellular, etc). Its overall success critically depends upon reliable mathematical analysis and interpretation of the studied data. This is especially aided by parametric signal processing with the ensuing data quantification, which can yield the abundance or concentrations of the constituents in the examined matter. The sought reliability of signal processing rests upon the possibility of an accurate solution of the quantification problem alongside the unambiguous separation of true from false information in the spectrally analysed data. We presently demonstrate that the fast Pade transform (FPT), as the unique ratio of two polynomials for a given Maclaurin series, can yield exact signal-noise separation for a synthesized free induction decay curve built from 25 molecules. This is achieved by using the concept of Froissart doublets or pole-zero cancellations. Unphysical/spurious (noise or noise-like) resonances have coincident or near-coincident poles and zeros. They possess either zero- or near-zero-valued amplitudes. Such spectral structures never converge due to their instability against even the smallest perturbations. By contrast, upon convergence of the FPT, physical/genuine resonances are identified by their persistent stability against external perturbations, such as signal truncation or addition of random noise, etc. In practice, the computation is carried out by gradually and systematically increasing the common degree of the Pade numerator and denominator polynomials in the diagonal FPT. As this degree changes, the reconstructed parameters and spectra fluctuate until stabilization occurs. The polynomial degree at which this full stabilization is achieved represents the sought exact number of resonances. An illustrative set of results is reported in this work to show the exact separation of

  2. Sunflower oil ozonation. Following of the reaction by proton Nuclear Magnetic Resonance

    International Nuclear Information System (INIS)

    Previous studies have demonstrated that the technique of Proton Nuclear Magnetic Resonance can be used for the pursuit of the reaction between the ozone and the unsaturated fatty acids. It's carried out the sunflower oil ozonization to different applied dose of ozone and the index of peroxides and the concentration of aldehydes are determined. The main reaction products were identified by Proton Nuclear Magnetic Resonance Spectroscopy (NMR 1 H). The intensities of the signs were used to follow the advance of the reaction between the ozone and the sunflower oil. It is was carried out until obtaining an index of peroxides of 1 202 mmol-equiv/kg. The intensities of the signs of the olefinic protons diminish with a gradual increment in the dose of applied ozone, but without ending up disappearing completely. The ozonides of Criegee obtained to applied dose of ozone of 107,1 mg/g were approximately bigger 7,4 times that those obtained at the beginning from the reaction to applied dose of ozone of 15,3 mg/g. The aldehydes protons were observed as a sign of weak intensity in all the spectra. The signs belonging to the olenifics protons of the hydroperoxides in d = 5,55 ppm increases with the increment of the applied dose of ozone. You concludes that to higher applied dose of ozone, haggler is the advance of the ozonization reaction, what belongs together with a bigger formation of oxygenated compounds

  3. Nuclear magnetic resonance spectroscopy for determining the functional content of organic aerosols: A review

    International Nuclear Information System (INIS)

    The knowledge deficit of organic aerosol (OA) composition has been identified as the most important factor limiting our understanding of the atmospheric fate and implications of aerosol. The efforts to chemically characterize OA include the increasing utilization of nuclear magnetic resonance spectroscopy (NMR). Since 1998, the functional composition of different types, sizes and fractions of OA has been studied with one-dimensional, two-dimensional and solid state proton and carbon-13 NMR. This led to the use of functional group ratios to reconcile the most important sources of OA, including secondary organic aerosol and initial source apportionment using positive matrix factorization. Future research efforts may be directed towards the optimization of experimental parameters, detailed NMR experiments and analysis by pattern recognition methods to identify the chemical components, determination of the NMR fingerprints of OA sources and solid state NMR to study the content of OA as a whole. - Highlights: • Organic aerosol composition by 1H- and 13C-NMR spectroscopy. • NMR fingerprints of specific sources, types and sizes of organic aerosol. • Source reconciliation and apportionment using NMR spectroscopy. • Research priorities towards understanding organic aerosol composition and origin. - This review presents the recent advances on the characterization of organic aerosol composition using nuclear magnetic resonance spectroscopy

  4. Water leaching of high and ultra high performance concrete: a nuclear magnetic resonance study

    Energy Technology Data Exchange (ETDEWEB)

    Porteneuve, Ch.; Zanni, H. [Ecole Superieure de Physique et Chimie Industrielles, Lab. de Physique et Mecanique des Milieux Heterogenes, UMR 7636, 75 - Paris (France); Korb, J.P.; Petit, D. [Ecole Polytechnique, Lab. de Physique de la Matiere Condenses, UMR 7643 du CNRS, 91 - Palaiseau (France)

    2001-11-01

    The consequences in terms of microstructure and texture of a prolonged contact between concrete and a continuous flow of mineral water have been investigated here by Nuclear Magnetic Resonance (NMR) because of its non-invasiveness and sensitivity to local environment. In particular, we evidence the dissolution of residual anhydrous cement, which leads to the further precipitation of hydrates occurring over 12 months of leaching tests in High Performance Concrete (HPC) and Ultra High Performance Concrete (UHPC). The study of the longitudinal relaxation of proton magnetization shows that the difference of pore size distribution between these two types of concrete remains mostly in the number of capillary pores. Its evolution with the time of water leaching up to the end of our experiment is not significant. (authors)

  5. [sup 27]Al nuclear magnetic resonance spectra in CeAl[sub 3] at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Hunziker, J. (Lab. fuer Festkoerperphysik, ETH-Hoenggerberg, Zuerich (Switzerland)); Gavilano, J.L. (Lab. fuer Festkoerperphysik, ETH-Hoenggerberg, Zuerich (Switzerland)); Buechi, S. (Lab. fuer Festkoerperphysik, ETH-Hoenggerberg, Zuerich (Switzerland)); Ott, H.R. (Lab. fuer Festkoerperphysik, ETH-Hoenggerberg, Zuerich (Switzerland))

    1994-02-01

    We have measured the nuclear magnetic resonance, NMR, spectra of CeAl[sub 3] at 3.964 MHz, 2.095 MHz and 0.937 MHz in the temperature range between 0.04 K and 20 K. The complicated NMR absorption line of CeAl[sub 3] powder is shown to have more than one component, corresponding to at least two inequivalent Al sites. Below 0.9 K the relative intensity of a broad asymmetric structure increases, and the width of the NMR spectrum shows a rapid increase. At fields of the order of two kilogauss the asymmetry is strongly supressed. The temperature dependence of the asymmetry and width of the spectrum below 0.9 K, can neither be explained in terms of a temperature dependent Knight shift nor in terms of conventional magnetic ordering. (orig.)

  6. Antisymmetric Couplings Enable Direct Observation of Chirality in Nuclear Magnetic Resonance Spectroscopy

    CERN Document Server

    King, Jonathan P; Blanchard, John W

    2016-01-01

    Here we demonstrate that a term in the nuclear spin Hamiltonian, the antisymmetric \\textit{J}-coupling, is fundamentally connected to molecular chirality. We propose and simulate a nuclear magnetic resonance (NMR) experiment to observe this interaction and differentiate between enantiomers without adding any additional chiral agent to the sample. The antisymmetric \\textit{J}-coupling may be observed in the presence of molecular orientation by an external electric field. The opposite parity of the antisymmetric coupling tensor and the molecular electric dipole moment yields a sign change of the observed coupling between enantiomers. We show how this sign change influences the phase of the NMR spectrum and may be used to discriminate between enantiomers.

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

    CERN Document Server

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

    2001-01-01

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

  8. Single spin magnetic resonance

    Science.gov (United States)

    Wrachtrup, Jörg; Finkler, Amit

    2016-08-01

    Different approaches have improved the sensitivity of either electron or nuclear magnetic resonance to the single spin level. For optical detection it has essentially become routine to observe a single electron spin or nuclear spin. Typically, the systems in use are carefully designed to allow for single spin detection and manipulation, and of those systems, diamond spin defects rank very high, being so robust that they can be addressed, read out and coherently controlled even under ambient conditions and in a versatile set of nanostructures. This renders them as a new type of sensor, which has been shown to detect single electron and nuclear spins among other quantities like force, pressure and temperature. Adapting pulse sequences from classic NMR and EPR, and combined with high resolution optical microscopy, proximity to the target sample and nanoscale size, the diamond sensors have the potential to constitute a new class of magnetic resonance detectors with single spin sensitivity. As diamond sensors can be operated under ambient conditions, they offer potential application across a multitude of disciplines. Here we review the different existing techniques for magnetic resonance, with a focus on diamond defect spin sensors, showing their potential as versatile sensors for ultra-sensitive magnetic resonance with nanoscale spatial resolution.

  9. Small-scale instrumentation for nuclear magnetic resonance of porous media

    International Nuclear Information System (INIS)

    The investigation of fluids confined to porous media is the oldest topic of investigation with small-scale nuclear magnetic resonance (NMR) instruments, as such instruments are mobile and can be moved to the site of the object, such as the borehole of an oil well. While the analysis was originally restricted by the inferior homogeneity of the employed magnets to relaxation measurements, today, portable magnets are available for all types of NMR measurements concerning relaxometry, imaging and spectroscopy in two types of geometries. These geometries refer to closed magnets that surround the sample and open magnets, which are brought close to the object for measurement. The current state of the art of portable, small-scale NMR instruments is reviewed and recent applications of such instruments are featured. These include the porosity analysis and description of diesel particulate filters, the determination of the moisture content in walls from gray concrete, new approaches to analyze the pore space and moisture migration in soil, and the constitutional analysis of the mortar base of ancient wall paintings.

  10. Small-scale instrumentation for nuclear magnetic resonance of porous media

    Science.gov (United States)

    Blümich, Bernhard; Casanova, Federico; Dabrowski, Martin; Danieli, Ernesto; Evertz, Loribeth; Haber, Agnes; Van Landeghem, Maxime; Haber-Pohlmeier, Sabina; Olaru, Alexandra; Perlo, Juan; Sucre, Oscar

    2011-01-01

    The investigation of fluids confined to porous media is the oldest topic of investigation with small-scale nuclear magnetic resonance (NMR) instruments, as such instruments are mobile and can be moved to the site of the object, such as the borehole of an oil well. While the analysis was originally restricted by the inferior homogeneity of the employed magnets to relaxation measurements, today, portable magnets are available for all types of NMR measurements concerning relaxometry, imaging and spectroscopy in two types of geometries. These geometries refer to closed magnets that surround the sample and open magnets, which are brought close to the object for measurement. The current state of the art of portable, small-scale NMR instruments is reviewed and recent applications of such instruments are featured. These include the porosity analysis and description of diesel particulate filters, the determination of the moisture content in walls from gray concrete, new approaches to analyze the pore space and moisture migration in soil, and the constitutional analysis of the mortar base of ancient wall paintings.

  11. Small-scale instrumentation for nuclear magnetic resonance of porous media

    Energy Technology Data Exchange (ETDEWEB)

    Bluemich, Bernhard; Casanova, Federico; Dabrowski, Martin; Danieli, Ernesto; Haber, Agnes; Van Landeghem, Maxime; Haber-Pohlmeier, Sabina; Olaru, Alexandra; Perlo, Juan; Sucre, Oscar [Institute of Technical and Macromolecular Chemistry, RWTH Aachen University, D-542056 Aachen (Germany); Evertz, Loribeth, E-mail: bluemich@mc.rwth-aachen.de [Mechanical and Industrial Engineering, Montana State University, PO Box 173800, Bozeman, MT 59717-3800 (United States)

    2011-01-15

    The investigation of fluids confined to porous media is the oldest topic of investigation with small-scale nuclear magnetic resonance (NMR) instruments, as such instruments are mobile and can be moved to the site of the object, such as the borehole of an oil well. While the analysis was originally restricted by the inferior homogeneity of the employed magnets to relaxation measurements, today, portable magnets are available for all types of NMR measurements concerning relaxometry, imaging and spectroscopy in two types of geometries. These geometries refer to closed magnets that surround the sample and open magnets, which are brought close to the object for measurement. The current state of the art of portable, small-scale NMR instruments is reviewed and recent applications of such instruments are featured. These include the porosity analysis and description of diesel particulate filters, the determination of the moisture content in walls from gray concrete, new approaches to analyze the pore space and moisture migration in soil, and the constitutional analysis of the mortar base of ancient wall paintings.

  12. Structure, spectra and antioxidant action of ascorbic acid studied by density functional theory, Raman spectroscopic and nuclear magnetic resonance techniques.

    Science.gov (United States)

    Singh, Gurpreet; Mohanty, B P; Saini, G S S

    2016-02-15

    Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide.

  13. Acoustic cardiac triggering: a practical solution for synchronization and gating of cardiovascular magnetic resonance at 7 Tesla

    Directory of Open Access Journals (Sweden)

    von Knobelsdorff-Brenkenhoff Florian

    2010-11-01

    Full Text Available Abstract Background To demonstrate the applicability of acoustic cardiac triggering (ACT for imaging of the heart at ultrahigh magnetic fields (7.0 T by comparing phonocardiogram, conventional vector electrocardiogram (ECG and traditional pulse oximetry (POX triggered 2D CINE acquisitions together with (i a qualitative image quality analysis, (ii an assessment of the left ventricular function parameter and (iii an examination of trigger reliability and trigger detection variance derived from the signal waveforms. Results ECG was susceptible to severe distortions at 7.0 T. POX and ACT provided waveforms free of interferences from electromagnetic fields or from magneto-hydrodynamic effects. Frequent R-wave mis-registration occurred in ECG-triggered acquisitions with a failure rate of up to 30% resulting in cardiac motion induced artifacts. ACT and POX triggering produced images free of cardiac motion artefacts. ECG showed a severe jitter in the R-wave detection. POX also showed a trigger jitter of approximately Δt = 72 ms which is equivalent to two cardiac phases. ACT showed a jitter of approximately Δt = 5 ms only. ECG waveforms revealed a standard deviation for the cardiac trigger offset larger than that observed for ACT or POX waveforms. Image quality assessment showed that ACT substantially improved image quality as compared to ECG (image quality score at end-diastole: ECG = 1.7 ± 0.5, ACT = 2.4 ± 0.5, p = 0.04 while the comparison between ECG vs. POX gated acquisitions showed no significant differences in image quality (image quality score: ECG = 1.7 ± 0.5, POX = 2.0 ± 0.5, p = 0.34. Conclusions The applicability of acoustic triggering for cardiac CINE imaging at 7.0 T was demonstrated. ACT's trigger reliability and fidelity are superior to that of ECG and POX. ACT promises to be beneficial for cardiovascular magnetic resonance at ultra-high field strengths including 7.0 T.

  14. Acoustic metasurface with hybrid resonances.

    Science.gov (United States)

    Ma, Guancong; Yang, Min; Xiao, Songwen; Yang, Zhiyu; Sheng, Ping

    2014-09-01

    An impedance-matched surface has the property that an incident wave generates no reflection. Here we demonstrate that by using a simple construction, an acoustically reflecting surface can acquire hybrid resonances and becomes impedance-matched to airborne sound at tunable frequencies, such that no reflection is generated. Each resonant cell of the metasurface is deep-subwavelength in all its spatial dimensions, with its thickness less than the peak absorption wavelength by two orders of magnitude. As there can be no transmission, the impedance-matched acoustic wave is hence either completely absorbed at one or multiple frequencies, or converted into other form(s) of energy, such as an electrical current. A high acoustic-electrical energy conversion efficiency of 23% is achieved. PMID:24880731

  15. Nuclear magnetic resonance relaxation and diffusion in the presence of internal gradients: the effect of magnetic field strength.

    Science.gov (United States)

    Mitchell, J; Chandrasekera, T C; Johns, M L; Gladden, L F; Fordham, E J

    2010-02-01

    It is known that internal magnetic field gradients in porous materials, caused by susceptibility differences at the solid-fluid interfaces, alter the observed effective Nuclear Magnetic Resonance transverse relaxation times T2,eff. The internal gradients scale with the strength of the static background magnetic field B0. Here, we acquire data at various magnitudes of B0 to observe the influence of internal gradients on T2-T2 exchange measurements; the theory discussed and observations made are applicable to any T2-T2 analysis of heterogeneous materials. At high magnetic field strengths, it is possible to observe diffusive exchange between regions of local internal gradient extrema within individual pores. Therefore, the observed exchange pathways are not associated with pore-to-pore exchange. Understanding the significance of internal gradients in transverse relaxation measurements is critical to interpreting these results. We present the example of water in porous sandstone rock and offer a guideline to determine whether an observed T2,eff relaxation time distribution reflects the pore size distribution for a given susceptibility contrast (magnetic field strength) and spin echo separation. More generally, we confirm that for porous materials T1 provides a better indication of the pore size distribution than T2,eff at high magnetic field strengths (B0>1 T), and demonstrate the data analysis necessary to validate pore size interpretations of T2,eff measurements.

  16. A Methodology to Integrate Magnetic Resonance and Acoustic Measurements for Reservoir Characterization

    Energy Technology Data Exchange (ETDEWEB)

    Parra, Jorge O.; Hackert, Chris L.; Ni, Qingwen; Collier, Hughbert A.

    2000-09-22

    This report contains eight sections. Some individual subsections contain lists of references as well as figures and conclusions when appropriate. The first section includes the introduction and summary of the first-year project efforts. The next section describes the results of the project tasks: (1) implementation of theoretical relations between effect dispersion and the stochastic medium, (2) imaging analyses using core and well log data, (3) construction of dispersion and attenuation models at the core and borehole scales in poroelastic media, (4) petrophysics and a catalog of core and well log data from Siberia Ridge field, (5) acoustic/geotechnical measurements and CT imaging of core samples from Florida carbonates, and (6) development of an algorithm to predict pore size distribution from NMR core data. The last section includes a summary of accomplishments, technology transfer activities and follow-on work for Phase II.

  17. Nuclear magnetic resonance as a method of fluid mobility detection in porous media

    Science.gov (United States)

    Zhakov, Sergey; Loskutov, Valentin

    2016-04-01

    The nuclear magnetic resonance (NMR) method is widely used for studying the structure of porous media and processes taking place in such media. This method permits to determine porosity and pore-size distributions, which have direct practical application in various areas. The problem of porous media permeability determination is connected directly with extraction of hydrocarbons from pays and water from aquiferous layers. But it is impossible to measure directly amount of fluid past through the fixes cross section for determination of bed permeability. So various indirect approaches are used to find correlation of permeability value with porosity and pore size distribution which can be determined directly using NMR relaxometry. In contrast to porosity, permeability is dynamic characteristic of porous media so it may be measured correctly only in conditions of moving fluid. Natural porous medium has branched pore structure, so a chaotic component of fluid velocity will occur even for constant mean filtration fluid velocity. In the presence of magnetic field gradient this chaotic fluid velocity will produce additional spin dephasing and decrease of relaxation time [1]. Direct detecting of fluid movement in porous core samples through the Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence has been demonstrated and theoretical model and analysis was given. Experiments were made on a set of sandstone samples (Berea, Bentheimer, Castle Gate, Leopard) and with synthetic high-perm samples made of abrasive material. The experiments show that the NMR spin echo measurements permit to fix mean fluid velocity mm/sec. The experiments and the theoretical model show that for low fluid velocities the mean relaxation rate is proportional to fluid velocity . The results may serve as the basis for determination of mobility of liquids in porous media and permeability. 1. P.T.Callaghan. Principles of Nuclear Magnetic Resonance Microscopy. 1991, Oxford University Press.

  18. Contributed Review: Nuclear magnetic resonance core analysis at 0.3 T

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, Jonathan, E-mail: JMitchell16@slb.com; Fordham, Edmund J. [Schlumberger Gould Research, High Cross, Madingley Road, Cambridge CB3 0EL (United Kingdom)

    2014-11-15

    Nuclear magnetic resonance (NMR) provides a powerful toolbox for petrophysical characterization of reservoir core plugs and fluids in the laboratory. Previously, there has been considerable focus on low field magnet technology for well log calibration. Now there is renewed interest in the study of reservoir samples using stronger magnets to complement these standard NMR measurements. Here, the capabilities of an imaging magnet with a field strength of 0.3 T (corresponding to 12.9 MHz for proton) are reviewed in the context of reservoir core analysis. Quantitative estimates of porosity (saturation) and pore size distributions are obtained under favorable conditions (e.g., in carbonates), with the added advantage of multidimensional imaging, detection of lower gyromagnetic ratio nuclei, and short probe recovery times that make the system suitable for shale studies. Intermediate field instruments provide quantitative porosity maps of rock plugs that cannot be obtained using high field medical scanners due to the field-dependent susceptibility contrast in the porous medium. Example data are presented that highlight the potential applications of an intermediate field imaging instrument as a complement to low field instruments in core analysis and for materials science studies in general.

  19. Medical applications of stable isotopes: mass spectroscopy and nuclear magnetic resonance

    International Nuclear Information System (INIS)

    This report summarizes the content of the Symposium entitled Medical Applications of Stable Isotopes, co-sponsored by the American College of Nuclear Physicians and the U.S. Department of Energy and held on January 25, 1982, in Tucson, Arizon. Within the overall framework of clinical biochemistry and clinical pharmacokinetics, the two technologies of mass spectroscopy and nuclear magnetic resonance were reviewed and analyzed in terms of their potential in the area of medical applications of stable isotopes. It was observed that nuclear medicine could perhaps be more accurately redefined as diagnostic imaging and functional measurement, utilizing both the traditional unstable (radioactive) isotopes and stable isotopes. This seems appropriate and perhaps necessary because nuclear medicine scientists and physicians have crossed traditional professional lines, promptly adapted to new technologies, stimulated the clinical application of computer techniques, justified and utilized complex and expensive instrumentation, and are quite experienced in the physical and mathematical basis of isotope (stable and unstable) preparation, handling, and use in in vivo clinical applications

  20. Acoustic Fano resonators

    KAUST Repository

    Amin, Muhammad

    2014-07-01

    The resonances with asymmetric Fano line-shapes were originally discovered in the context of quantum mechanics (U. Fano, Phys. Rev., 124, 1866-1878, 1961). Quantum Fano resonances were generated from destructive interference of a discrete state with a continuum one. During the last decade this concept has been applied in plasmonics where the interference between a narrowband polariton and a broader one has been used to generate electromagnetically induced transparency (EIT) (M. Rahmani, et al., Laser Photon. Rev., 7, 329-349, 2013).

  1. Advances in magnetic resonance 6

    CERN Document Server

    Waugh, John S

    2013-01-01

    Advances in Magnetic Resonance, Volume 6 focuses on the theoretical and practical aspects of applying magnetic resonance methods to various problems in physical chemistry, emphasizing the different aspects of the exegesis of these problems. This book discusses the gas phase magnetic resonance of electronically excited molecules; techniques for observing excited electronic states; NMR studies in liquids at high pressure; and effect of pressure on self-diffusion in liquids. The nuclear magnetic resonance investigations of organic free radicals; measurement of proton coupling constants by NMR; an

  2. SQUIDs vs. Faraday coils for ultlra-low field nuclear magnetic resonance: experimental and simulation comparison

    Energy Technology Data Exchange (ETDEWEB)

    Matlashov, Andrei N [Los Alamos National Laboratory; Espy, Michelle A [Los Alamos National Laboratory; Kraus, Robert H [Los Alamos National Laboratory; Sayukov, Igor M [Los Alamos National Laboratory; Schultz, Larry J [Los Alamos National Laboratory; Urbaitis, Algis V [Los Alamos National Laboratory; Volegov, Petr L [Los Alamos National Laboratory; Wurden, Caroline J [Los Alamos National Laboratory

    2010-01-01

    Nuclear magnetic resonance (NMR) methods are widely used in medicine, chemistry and industry. One application area is magnetic resonance imaging or MRI. Recently it has become possible to perform NMR and MRI in ultra-low field (ULF) regime that requires measurement field strengths only of the order of 1 Gauss. These techniques exploit the advantages offered by superconducting quantum interference devices or SQUIDs. Our group at LANL has built SQUID based MRI systems for brain imaging and for liquid explosives detection at airports security checkpoints. The requirement for liquid helium cooling limits potential applications of ULF MRI for liquid identification and security purposes. Our experimental comparative investigation shows that room temperature inductive magnetometers provide enough sensitivity in the 3-10 kHz range and can be used for fast liquid explosives detection based on ULF NMR/MRI technique. We describe an experimental and computer simulation comparison of the world's first multichannel SQUID based and Faraday coils based instruments that are capable of performing ULF MRI for liquids identification.

  3. SQUIDs vs. Induction Coils for Ultra-Low Field Nuclear Magnetic Resonance: Experimental and Simulation Comparison.

    Science.gov (United States)

    Matlashov, Andrei N; Schultz, Larry J; Espy, Michelle A; Kraus, Robert H; Savukov, Igor M; Volegov, Petr L; Wurden, Caroline J

    2011-01-01

    Nuclear magnetic resonance (NMR) is widely used in medicine, chemistry and industry. One application area is magnetic resonance imaging (MRI). Recently it has become possible to perform NMR and MRI in the ultra-low field (ULF) regime requiring measurement field strengths of the order of only 1 Gauss. This technique exploits the advantages offered by superconducting quantum interference devices or SQUIDs. Our group has built SQUID based MRI systems for brain imaging and for liquid explosives detection at airport security checkpoints. The requirement for liquid helium cooling limits potential applications of ULF MRI for liquid identification and security purposes. Our experimental comparative investigation shows that room temperature inductive magnetometers may provide enough sensitivity in the 3-10 kHz range and can be used for fast liquid explosives detection based on ULF NMR technique. We describe experimental and computer-simulation results comparing multichannel SQUID based and induction coils based instruments that are capable of performing ULF MRI for liquid identification. PMID:21747638

  4. Nuclear Magnetic Resonance Project at the Medical University of South Carolina

    Energy Technology Data Exchange (ETDEWEB)

    Lacy, Eric R.

    2008-04-25

    Department of Energy funds were used to support the development of a Center for Marine Structural Biology at the Marine Resources Center at Ft. Johnson in Charleston, South Carolina. The Ft. Johnson site is home to five institutions in a unique state/federal/academic partnership whose member institutions include the National Ocean Service (NOS), the National Institute of Standards and Technology (NIST), the Medical University of South Carolina (MUSC), the SC Department of Natural Resources, and the College of Charleston. The Center for Marine Structural Biology sits adjacent to the newly completed Hollings Marine Laboratory and houses a 700 and 800 MHz nuclear magnetic resource instruments. The completed center is operational and meets it goal to provide state-of-the-art nuclear magnetic resonance capabilities to resolve the molecular structures of compounds that have direct relevance to human health, including marine-derived biotoxins that are tested against cancer cell lines through collaborative studies with researchers at the Hollings Cancer Center at MUSC. Funds from the DOE assisted, in part, with the purchase of NMR probes and ancillary equipment for the 800 MHz NMR instrument. In addition, developmental funds was used to support the visit of an Scientific Advisory Board and for the NMR Planning Team to visit currently operational high field NMR facilities to guide their choice of instrumentation and design of the building.

  5. Nanoscale β-nuclear magnetic resonance depth imaging of topological insulators.

    Science.gov (United States)

    Koumoulis, Dimitrios; Morris, Gerald D; He, Liang; Kou, Xufeng; King, Danny; Wang, Dong; Hossain, Masrur D; Wang, Kang L; Fiete, Gregory A; Kanatzidis, Mercouri G; Bouchard, Louis-S

    2015-07-14

    Considerable evidence suggests that variations in the properties of topological insulators (TIs) at the nanoscale and at interfaces can strongly affect the physics of topological materials. Therefore, a detailed understanding of surface states and interface coupling is crucial to the search for and applications of new topological phases of matter. Currently, no methods can provide depth profiling near surfaces or at interfaces of topologically inequivalent materials. Such a method could advance the study of interactions. Herein, we present a noninvasive depth-profiling technique based on β-detected NMR (β-NMR) spectroscopy of radioactive (8)Li(+) ions that can provide "one-dimensional imaging" in films of fixed thickness and generates nanoscale views of the electronic wavefunctions and magnetic order at topological surfaces and interfaces. By mapping the (8)Li nuclear resonance near the surface and 10-nm deep into the bulk of pure and Cr-doped bismuth antimony telluride films, we provide signatures related to the TI properties and their topological nontrivial characteristics that affect the electron-nuclear hyperfine field, the metallic shift, and magnetic order. These nanoscale variations in β-NMR parameters reflect the unconventional properties of the topological materials under study, and understanding the role of heterogeneities is expected to lead to the discovery of novel phenomena involving quantum materials.

  6. Brain nuclear magnetic resonance imaging enhanced by a paramagnetic nitroxide contrast agent: preliminary report. [Dogs

    Energy Technology Data Exchange (ETDEWEB)

    Brasch, R.C. (Univ. of California, San Francisco); Nitecki, D.E.; Brant-Zawadzki, M.; Enzmann, D.R.; Wesbey, G.E.; Tozer, T.N.; Tuck, L.D.; Cann, C.E.; Fike, J.R.; Sheldon, P.

    1983-11-01

    Contrast-enhancing agents for demonstrating abnormalities of the blood-brain barrier may extend the diagnostic utility of proton nuclear magnetic resonance (NMR) imaging. TES, a nitroxide stable free radical derivative, was tested as a central nervous system contrast enhancer in dogs with experimentally induced unilateral cerebritis or radiation cerebral damage. After intravenous injection of TES, the normal brain showed no change in NMR appearance, but areas of disease demonstrated a dramatic increase (up to 45%) in spin-echo intensity and a decrease in T/sub 1/, relaxation times. The areas of disease defined by TES enhancement were either not evident on the nonenhanced NMR images or were better defined after contrast administration. In-depth tests of toxicity, stability, and metabolism of this promising NMR contrast agent are now in progress.

  7. Brain nuclear magnetic resonance imaging enhanced by a paramagnetic nitroxide contrast agent: preliminary report

    International Nuclear Information System (INIS)

    Contrast-enhancing agents for demonstrating abnormalities of the blood-brain barrier may extend the diagnostic utility of proton nuclear magnetic resonance (NMR) imaging. TES, a nitroxide stable free radical derivative, was tested as a central nervous system contrast enhancer in dogs with experimentally induced unilateral cerebritis or radiation cerebral damage. After intravenous injection of TES, the normal brain showed no change in NMR appearance, but areas of disease demonstrated a dramatic increase (up to 45%) in spin-echo intensity and a decrease in T1, relaxation times. The areas of disease defined by TES enhancement were either not evident on the nonenhanced NMR images or were better defined after contrast administration. In-depth tests of toxicity, stability, and metabolism of this promising NMR contrast agent are now in progress

  8. A single coil radio frequency gradient probe for nuclear magnetic resonance applications.

    Science.gov (United States)

    Christofield, N; Sobieski, D N; Erker, J C; May, S; Augustine, M P

    2012-12-01

    A single coil nuclear magnetic resonance (NMR) probehead and associated electronics capable of asynchronously applying both homogeneous and inhomogeneous radio frequency (rf) pulses to solid, liquid, or gaseous samples is described. This equipment can be interfaced with a conventional single channel NMR spectrometer. Carefully placed PIN diodes on the NMR probehead are used to switch the coil between a homogeneous end tapped configuration and an inhomogeneous center tapped rf gradient configuration. This approach dramatically improves channel isolation in comparison to existing two coil designs. Descriptions of the new probehead, the transistor-transistor logic (TTL) controlled dc pulser for PIN diode gating, and the high power rf switch are provided. Several NMR pulse sequences are used to test the channel isolation and probe performance. Finally an application to liquid phase solvent suppression is provided. PMID:23278008

  9. A sup 1 H nuclear magnetic resonance study of structural and organisational changes in the cell

    CERN Document Server

    Tunnah, S K

    2000-01-01

    Increasing importance is being placed on understanding the role of membrane lipids in many different areas of biochemistry. It is of interest to determine what interactions may occur between membrane lipids and drug species. Furthermore, an increasing body of evidence suggests that membrane lipids are involved in the pathology of numerous diseases such as rheumatoid arthritis, cancer and HIV. Clearly, the more information available on the mechanisms involved in diseases, the greater the potential for identifying a cure or even a prevention. sup 1 H nuclear magnetic resonance (NMR) spectroscopy was used to study the alterations in membrane lipid organisation and structure in intact, viable cultured cells. Changes in the sup 1 H NMR spectra and the spin-lattice relaxation measurements of the human K562 and the rat FRTL-5 cell lines were observed on the addition of the fatty acid species: triolein, evening primrose oil, arachidonic acid and ITF 1779. Results indicate that the membrane lipids are reorganised to a...

  10. Structure, Dynamics, and Assembly of Filamentous Bacteriophages by Nuclear Magnetic Resonance Spectroscopy

    Science.gov (United States)

    Opella, Stanley J.; Zeri, Ana Carolina; Park, Sang Ho

    2008-05-01

    Filamentous bacteriophages serve as model systems for the development and implementation of spectroscopic methods suitable for biological supramolecular assemblies. Not only are their coat proteins small and readily prepared in the laboratory, but they also have two primary roles as membrane proteins and as the principal structural element of the virus particles. As a bacterial system, they are readily labeled with stable isotopes, and this has opened possibilities for the many nuclear magnetic resonance (NMR) studies described in this review. In particular, solid-state NMR of aligned samples has been used to determine the three-dimensional structures of both the membrane-bound forms of coat proteins in phospholipid bilayers and structural forms in virus particles, which has led to an analysis of the assembly mechanism for virus particles as they are extruded through the cell membrane.

  11. Application of Nuclear Magnetic Resonance and Hybrid Methods to Structure Determination of Complex Systems.

    Science.gov (United States)

    Prischi, Filippo; Pastore, Annalisa

    2016-01-01

    The current main challenge of Structural Biology is to undertake the structure determination of increasingly complex systems in the attempt to better understand their biological function. As systems become more challenging, however, there is an increasing demand for the parallel use of more than one independent technique to allow pushing the frontiers of structure determination and, at the same time, obtaining independent structural validation. The combination of different Structural Biology methods has been named hybrid approaches. The aim of this review is to critically discuss the most recent examples and new developments that have allowed structure determination or experimentally-based modelling of various molecular complexes selecting them among those that combine the use of nuclear magnetic resonance and small angle scattering techniques. We provide a selective but focused account of some of the most exciting recent approaches and discuss their possible further developments.

  12. Characterization of yogurts made with milk solids nonfat by rheological behavior and nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Hai-Yan Yu

    2016-10-01

    Full Text Available The effect of adding milk solids nonfat (MSNF on the physical properties and microstructure of yogurts was investigated. The physical properties of fat free yogurt, fat free with MSNF yogurt, whole fat yogurt, and whole fat with MSNF yogurt were analyzed using shear viscosity, viscoelasticity, and texture analysis. The two yogurts with MSNF had higher consistency coefficient (K, storage modulus (G′, yield stress, and hardness. To gain insight into the multiphase system, nuclear magnetic resonance (NMR and brightfield microscope images were acquired. The addition of MSNF significantly modified NMR relaxation time; T1 values were reduced significantly. Brightfield microscope images showed that the size of the protein network of the two yogurts with MSNF added was greater than that of the two yogurts without MSNF added. The microstructural information supported the physical information. The results showed that the increase in MSNF contributed positively to strengthening the physical/mechanical properties of yogurt.

  13. Nuclear Magnetic Resonance and Elastic Wave Velocity of Chalk Saturated with Brines Containing Divalent Ions

    DEFF Research Database (Denmark)

    Katika, Konstantina; Alam, Mohammad Monzurul; Fabricius, Ida Lykke

    Nuclear magnetic resonance (NMR) has proven a good technique for measuring pore size distribution in reservoir rocks. The use of low field NMR together with sonic and electrical resistivity measurements, can contribute to illustrate the effect of adsorbing ions on chalk elasticity. NMR is useful...... for the study of the physical and chemical phenomena within saturated cores and sonic velocity is intimately connected to density and elastic constants of the rock. In this study we relate NMR data to changes in P-wave velocity due to ion adsorption. Core plugs from outcrop Stevns chalk, of ~45% porosity, were...... of the relaxation time. Core samples saturated with calcium chloride solution relaxed slower and those saturated with magnesium chloride solution relaxed faster than the rest of the samples. Along with the changes in relaxation the samples experienced smaller velocities of elastic waves when saturated with MgCl2...

  14. Theoretical approaches to control spin dynamics in solid-state nuclear magnetic resonance

    Indian Academy of Sciences (India)

    Eugene Stephane Mananga

    2015-12-01

    This article reviews theoretical approaches for controlling spin dynamics in solid-state nuclear magnetic resonance. We present fundamental theories in the history of NMR, namely, the average Hamiltonian and Floquet theories. We also discuss emerging theories such as the Fer and Floquet-Magnus expansions. These theories allow one to solve the time-dependent Schrodinger equation, which is still the central problem in spin dynamics of solid-state NMR. Examples from the literature that highlight several applications of these theories are presented, and particular attention is paid to numerical integrators and propagator operators. The problem of time propagation calculated with Chebychev expansion and the future development of numerical directions with the Cayley transformation are considered. The bibliography includes 190 references.

  15. Molecular Structure of Aggregated Amyloid-β: Insights from Solid-State Nuclear Magnetic Resonance.

    Science.gov (United States)

    Tycko, Robert

    2016-01-01

    Amyloid-β (Aβ) peptides aggregate to form polymorphic amyloid fibrils and a variety of intermediate assemblies, including oligomers and protofibrils, both in vitro and in human brain tissue. Since the beginning of the 21st century, considerable progress has been made to characterize the molecular structures of Aβ aggregates. Full molecular structural models based primarily on data from measurements using solid-state nuclear magnetic resonance (ssNMR) have been developed for several in vitro Aβ fibrils and one metastable protofibril. Partial structural characterization of other aggregation intermediates has been achieved. One full structural model for fibrils derived from brain tissue has also been reported. Future work is likely to focus on additional structures from brain tissue and on further clarification of nonfibrillar Aβ aggregates. PMID:27481836

  16. Stability of succinylcholine solutions stored at room temperature studied by nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Adnet, Frederic; Le Moyec, Laurence; Smith, Charles E; Galinski, Michel; Jabre, Patricia; Lapostolle, Frederic

    2007-03-01

    The effect of storage temperature on the stability of two succinylcholine chloride solutions (20 and 50 mg/ml) was evaluated. Molecular composition was analysed using nuclear magnetic resonance spectroscopy. At room temperature, the degradation rate constant was 1.2%/month for the 20 mg/ml solution and 2.1%/month for the 50 mg/ml solution. The corresponding monthly degradation rates for the two solutions were 0.18% and 0.30% when stored at 4 degrees C, and 5.4% and 8.1% when stored at 37 degrees C. If a 10% loss of potency is considered acceptable, then the 20 and 50 mg/ml succinylcholine solutions can be stored in emergency resuscitation carts at room temperature for 8.3 and 4.8 months, respectively. PMID:17351219

  17. Recrystallization inhibition in ice due to ice binding protein activity detected by nuclear magnetic resonance

    Directory of Open Access Journals (Sweden)

    Jennifer R. Brown

    2014-09-01

    Full Text Available Liquid water present in polycrystalline ice at the interstices between ice crystals results in a network of liquid-filled veins and nodes within a solid ice matrix, making ice a low porosity porous media. Here we used nuclear magnetic resonance (NMR relaxation and time dependent self-diffusion measurements developed for porous media applications to monitor three dimensional changes to the vein network in ices with and without a bacterial ice binding protein (IBP. Shorter effective diffusion distances were detected as a function of increased irreversible ice binding activity, indicating inhibition of ice recrystallization and persistent small crystal structure. The modification of ice structure by the IBP demonstrates a potential mechanism for the microorganism to enhance survivability in ice. These results highlight the potential of NMR techniques in evaluation of the impact of IBPs on vein network structure and recrystallization processes; information useful for continued development of ice-interacting proteins for biotechnology applications.

  18. Investigation on Mechanisms of Polymer Enhanced Oil Recovery by Nuclear Magnetic Resonance and Microscopic Theoretical Analysis

    Institute of Scientific and Technical Information of China (English)

    ZHANG Ji-Cheng; SONG Kao-Ping; LIU Li; YANG Er-Long

    2008-01-01

    Polymer flooding is an efficient technique to enhance oil recovery over water flooding.There are lots of discussions regarding the mechanisms for polymer flooding enhancing oil recovery. The main focus is whether polymer flooding can increase sweep effciency alone,or can increase both of sweep efficiency and displacement efficiency.We present a study on this problem.Oil displacement experiments on 4 natural cores show that polymer flooding can increase oil recovery efficiency by more than 12% over water.Moreover,photos are taken by the nuclear magnetic resonance (NMR) method both after water flooding and after polymer flooding,which show remaining oil saturation distribution at the middle cross section and the central longitudinal section.Analyses of these photos demonstrate that polymer flooding can increase both sweep efficiency and displacement efficiency.

  19. Erythrocytes in muscular dystrophy. Investigation with 31P nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Phosphorus 31 nuclear magnetic resonance (31P NMR) signals were recorded from intact human erythrocytes for 16 hours. Total phosphate concentration, which was estimated as the sum of the individual 31P signals, was 25% lower in erythrocytes from men with myotonic dystrophy than in control erythrocytes. The inorganic-phosphate fraction contained the highest average phosphate concentration over the 16-hour period, and made the major contribution to the difference in total phosphate between the two groups. This result was not observed in erythrocytes from either women with myotonic dystrophy or patients with Duchenne's dystrophy and may be due to a change in cell membrane permeability to inorganic phosphate, which lead to lower steady-state concentrations of the intracellular phosphates

  20. Erythrocytes in muscular dystrophy. Investigation with 31P nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Phosphorus 31 nuclear magnetic resonance (31P NMR) signals were recorded from intact human erythrocytes for 16 hours. Total phosphate concentration, which was estimated as the sum of the individual 31P signals, was 25% lower in erythrocytes from men with myotonic dystrophy than in control erythrocytes. The inorganic-phosphate fraction contained the highest average phosphate concentration over the 16-hour period, and made the major contribution to the difference in total phosphate between the two groups. This result was not observed in erythrocytes from either women with myotonic dystrophy or patients with Duchenne's dystrophy and may be due to a change in cell membrane permeability to inorganic phosphate, which leads to lower steady-state concentrations of the intracellular phosphates

  1. Tritium nuclear magnetic resonance study of T2, HT, and DT dissolved in nematic solvents

    International Nuclear Information System (INIS)

    A tritium nuclear magnetic resonance study is carried out on the T2, HT, and DT isotopomers of dihydrogen dissolved in various nematic phases, including a zero-electric-field-gradient mixture. Ab initio calculations are performed to reproduce the observed dipolar couplings. Within the framework of the open-quotes mean-fieldclose quotes approximation, the results provide support for a picture in which two independent contributions to the solute orientation can be distinguished. One contribution involves a liquid-crystal-dependent interaction between the mean solvent electric-field gradient and the solute molecular quadrupole moment. The other contribution is of unknown origin; however, it is essentially identical in all liquid crystals and it can be modeled adequately with a phenomenological mean-field interaction. A remarkable feature of this second interaction is that it causes the average orientation of the asymmetrical isotopomers, and especially of HT, to behave differently from the symmetrical species. copyright 1997 The American Physical Society

  2. Conformational disorder in folded and intrinsically disordered proteins from nuclear magnetic resonance

    International Nuclear Information System (INIS)

    Biological macromolecules are, by essence, dynamical systems. While the importance of this flexibility is nowadays well established, the accurate characterization of the conformational disorder of these systems remains an important challenge. Nuclear magnetic resonance spectroscopy is a unique tool to probe these motions at atomic level, through the analysis of spin relaxation or residual dipolar couplings. The latter allows all motions occurring at timescales faster than the millisecond to be investigated, including physiologically important timescales. The information presents in those couplings is interpreted here using mainly analytical approaches in order to quantify the amounts of dynamics present in folded protein, to determine the direction of those motions and to obtain structural information within this conformational disorder. These analytical approaches are complemented by numerical methods, that allowed the observation of phenomena from a different point of view or the investigation of other systems such as intrinsically disordered proteins. All of these studies demonstrate an important complementarity between structural order and conformational disorder. (author)

  3. Nonideal rotations in nuclear magnetic resonance: Estimation of coherence transfer leakage

    Energy Technology Data Exchange (ETDEWEB)

    Jerschow, Alexej [Materials Sciences Division, 11-D62, Lawrence Berkeley Laboratory, Berkeley, California 94720 (United States); Chemistry Department, D62 Hildebrand, University of California at Berkeley, Berkeley, California 94720 (United States)

    2000-07-15

    When spherical tensors are rotated by certain angles, coherence transfer selection rules may apply. For example, a {pi} rotation cleanly inverts the coherence order. A {pi}/2 rotation of a T{sub 0}{sup 1} tensor creates only T{sub {+-}}{sub 1}{sup 1} tensors. In this work estimations are given for the coherence transfer leakage under the action of rotations with small errors in the rotation angle or axis. Although the theory is stated with particular applications to NMR (nuclear magnetic resonance) in mind it is equally applicable wherever nonideal rotations of spherical tensors are considered (e.g., quantum computing and relaxation theory). In NMR it is useful for the estimation of coherence transfer leakage, especially in pulse sequences with many n{pi} pulses. The results are also applicable to spinors and half-integer representations of the rotation group. (c) 2000 American Institute of Physics.

  4. Nuclear magnetic resonance study of epoxy- based polymer-dispersed liquid crystal droplets

    CERN Document Server

    Han, J W

    1998-01-01

    In this work, polymer-dispersed liquid crystals (PDLC) samples were prepared and studied by nuclear magnetic resonance. Proton NMR spectra and spin-lattice relaxations of 4-cyano-4'-pentylbiphenyl(5CB) and p-methoxybenzylidene-p-n-butylaniline (MBBA) liquid crystals confined in microdroplets were measured. The experimental results were compared with those of the liquid crystals in the pores of silica-gels and with those of the mixing components. The experimental results indicated that the nematic ordering in the microdroplets differed markedly from that observed in bulk nematic crystals. In addition, we examined spin-lattice relaxation mechanisms. The proton spin-lattice relaxation mechanisms in bulk nematic liquid crystals are well established. However, when nematic liquid crystals are confined in microdroplets, the relaxation mechanisms are expected to be affected. We examined possible relaxation mechanisms to explain the observed increase in the spin-lattice relaxation rate of liquid crystals confined in m...

  5. Two-dimensional nuclear magnetic resonance studies of starch and starch products

    International Nuclear Information System (INIS)

    The use of two-dimensional Nuclear Magnetic Resonance (NMR) spectroscopy as applied to studies of starch, starch products and glycogen is reported. The use of both homonuclear correlation (COSY, relay-COSY and HOHAHA) and heteronuclear correlation (HMQC, HETCOR) experiments is discussed. This approach makes it possible to obtain complete assignments of the proton NMR spectra of these polysaccharides. This is not possible from 1-D spectra due to excessive overlap of the non-anomeric proton signals. The resulting assignments are useful in obtaining structural information regarding starch and related products. Moreover, the greater inherent resolution of the two-dimensional spectra can reveal the presence of low molecular weight carbohydrates (glucose, maltose etc.) in dextrin samples, thus providing information about carbohydrate composition. (orig.)

  6. High Resolution Nuclear Magnetic Resonance: From Chemical Structure to Food Authenticity

    Energy Technology Data Exchange (ETDEWEB)

    Mannina, L.; Segre, A.

    2002-07-01

    Nuclear magnetic resonance (NMR) is a powerful technique able to give us a relevant contribution in food analysis. In this review, some practical aspects of this technique (sample preparation, acquisition time, relaxation delay, etc) as well as some methods of spectral assignment of the spectra (2D and 1D selective technique) are reported. Some examples of NMR quantitative analyses are reported. In particular, the results relative to the NMR study of olive oils are discussed, among these: the comparison between conventional analyses and the NMR analysis in the olive oil characterization; the NMR determination of minor components such as squalene, cyclo-arthenol and chlorophyll in olive oil; the panel test and its relationship with NMR data: the geographical characterization of olive oils. (Author) 26 refs.

  7. Time-Domain Nuclear Magnetic Resonance Investigation of Water Dynamics in Different Ginger Cultivars.

    Science.gov (United States)

    Huang, Chongyang; Zhou, Qi; Gao, Shan; Bao, Qingjia; Chen, Fang; Liu, Chaoyang

    2016-01-20

    Different ginger cultivars may contain different nutritional and medicinal values. In this study, a time-domain nuclear magnetic resonance method was employed to study water dynamics in different ginger cultivars. Significant differences in transverse relaxation time T2 values assigned to the distribution of water in different parts of the plant were observed between Henan ginger and four other ginger cultivars. Ion concentration and metabolic analysis showed similar differences in Mn ion concentrations and organic solutes among the different ginger cultivars, respectively. On the basis of Pearson's correlation analysis, many organic solutes and 6-gingerol, the main active substance of ginger, exhibited significant correlations with water distribution as determined by NMR T2 relaxation, suggesting that the organic solute differences may impact water distribution. Our work demonstrates that low-field NMR relaxometry provides useful information about water dynamics in different ginger cultivars as affected by the presence of different organic solutes.

  8. Nature versus nurture: functional assessment of restoration effects on wetland services using Nuclear Magnetic Resonance Spectroscopy

    Science.gov (United States)

    Sundareshwar, P.V.; Richardson, C.J.; Gleason, R.A.; Pellechia, P.J.; Honomichl, S.

    2009-01-01

    Land-use change has altered the ability of wetlands to provide vital services such as nutrient retention. While compensatory practices attempt to restore degraded wetlands and their functions, it is difficult to evaluate the recovery of soil biogeochemical functions that are critical for restoration of ecosystem services. Using solution 31P Nuclear Magnetic Resonance Spectroscopy, we examined the chemical forms of phosphorus (P) in soils from wetlands located across a land-use gradient. We report that soil P diversity, a functional attribute, was lowest in farmland, and greatest in native wetlands. Soil P diversity increased with age of restoration, indicating restoration of biogeochemical function. The trend in soil P diversity was similar to documented trends in soil bacterial taxonomic composition but opposite that of soil bacterial diversity at our study sites. These findings provide insights into links between ecosystem structure and function and provide a tool for evaluating the success of ecosystem restoration efforts. Copyright 2009 by the American Geophysical Union.

  9. Nuclear magnetic resonance measurements of velocity distributions in an ultrasonically vibrated granular bed.

    Science.gov (United States)

    Huntley, J M; Tarvaz, T; Mantle, M D; Sederman, A J; Gladden, L F; Sheikh, N A; Wildman, R D

    2014-05-13

    We report the results of nuclear magnetic resonance imaging experiments on granular beds of mustard grains fluidized by vertical vibration at ultrasonic frequencies. The variation of both granular temperature and packing fraction with height was measured within the three-dimensional cell for a range of vibration frequencies, amplitudes and numbers of grains. Small increases in vibration frequency were found--contrary to the predictions of classical 'hard-sphere' expressions for the energy flux through a vibrating boundary--to result in dramatic reductions in granular temperature. Numerical simulations of the grain-wall interactions, using experimentally determined Hertzian contact stiffness coefficients, showed that energy flux drops significantly as the vibration period approaches the grain-wall contact time. The experiments thus demonstrate the need for new models for 'soft-sphere' boundary conditions at ultrasonic frequencies.

  10. Nuclear magnetic resonance investigation of erythrocyte membranes in chronic myeloproliferative disorders.

    Science.gov (United States)

    Morariu, V V; Petrov, L

    1986-07-01

    The temperature dependence of the apparent water diffusional exchange through erythrocyte membranes in cases of policitemia vera, chronic granulocytic leukemia and primary myelofibrosis was measured by using a nuclear magnetic resonance method in the presence of Mn2+. The thermal transition shifted to lower temperatures in all cases, regardless of the stage of the disease, suggesting a structural alteration of the membrane. The shift of transition indirectly suggests a lower penetration of the erythrocytes by Mn2+. The water exchange time at 37 degrees C also increased, mainly in the blast crisis; it seems to have a prognostic value of some clinical interest. No simple correlation of the water exchange and the following clinical investigations was observed: the white count, the percentage of promyelocites and myeloblasts, the sedimentation rate of blood, the osmotic fragility of erythrocytes, the total concentration of proteins, albumin and immunoglobulins, respectively, in plasma.

  11. Preparation of pseudo-pure states by line-selective pulses in Nuclear Magnetic Resonance

    CERN Document Server

    Peng, X; Fang, X; Feng, M; Gao, K; Yang, X; Liu, M; Peng, Xinhua; Zhu, Xiwen; Fang, Ximing; Feng, Mang; Gao, Keli; Yang, Xiaodong; Liu, Maili

    2000-01-01

    A new method of preparing the pseudo-pure state of a spin system for quantum computation in liquid nuclear magnetic resonance (NMR) was put forward and demonstrated experimentally. Applying appropriately connected line-selective pulses simultaneously and a field gradient pulse techniques we acquired straightforwardly all pseudo-pure states for two qubits in a single experiment much efficiently. The signal intensity with the pseudo-pure state prepared in this way is the same as that of temporal averaging. Our method is suitable for the system with arbitrary numbers of qubits. As an example of application, a highly structured search algorithm -- Hogg's algorithm was also performed on the pseudo-pure state $\\mid 00>$ prepared by our method.

  12. An interferometric complementarity experiment in a bulk Nuclear Magnetic Resonance ensemble

    CERN Document Server

    Peng, X; Fang, X; Feng, M; Liu, M; Gao, K; Peng, Xinhua; Zhu, Xiwen; Fang, Ximing; Feng, Mang; Liu, Maili; Gao, Kelin

    2003-01-01

    We have experimentally demonstrated the interferometric complementarity, which relates the distinguishability $D$ quantifying the amount of which-way (WW) information stored to the fringe visibility $V$ characterizing the wave feature of a quantum entity, in a bulk ensemble by Nuclear Magnetic Resonance (NMR) techniques. Besides the two extremes considered by Bohr, we primarily concern on the intermediate cases: partial fringe visibility and incomplete WW information. Instead of the general method, we exploit the geometrical explanation to obtain the distinguishability $D$ more visually. Also, we investigate the relation between the distinguishability $D$ and the amount of entanglement $E$. With measuring $D$ and $V$ independently, it turns out that the duality relation $D^{2}+V^{2}\\leq 1$ holds.

  13. Exhibition of the periodicity of Quantum Fourier Transformation in Nuclear Magnetic Resonance

    CERN Document Server

    Peng, X; Fang, X; Feng, M; Yang, X; Liu, M; Gao, K; Peng, Xinhua; Zhu, Xiwen; Fang, Ximing; Feng, Mang; Yang, Xiaodong; Liu, Maili; Gao, Kelin

    2002-01-01

    The remarkable capability of quantum Fourier transformation (QFT) to extract the periodicity of a given periodic function has been exhibited by using nuclear magnetic resonance (NMR) techniques. Two separate sets of experiments were performed. In a full QFT, the periodicity were validated with state tomography and fidelity measurements. For a simplified QFT, the three-qubit pseudo-pure state was created by introducting an additional observer spin, and the spectra recorded on the observer spin showed intuitively the power of QFT\\ to find the periodicity. Experimentally realizing the QFT provides a critical step to implement the renowned Shor's quantum factoring algorithm and many other algorithms. Moveover, it can be applied to the study of quantum chaos and other quantum information processing.

  14. Observation of intermolecular double-quantum coherence signal dips in nuclear magnetic resonance

    Institute of Scientific and Technical Information of China (English)

    Shen Gui-Ping; Cai Cong-Bo; Cai Shu-Hui; Chen Zhong

    2011-01-01

    The correlated spectroscopy revamped by asymmetric Z-gradient echo detection (CRAZED) sequence is modified to investigate intermolecular double-quantum coherence nuclear magnetic resonance signal dips in highly polarized spin systems.It is found that the occurrence of intermolecular double-quantum coherence signal dips is related to sample geometry,field inhomogeneity and dipolar correlation distance.If the field inhomogeneity is refocused,the signal dip occurs at a fixed position whenever the dipolar correlation distance approaches the sample dimension.However,the position is shifted when the field inhomogeneity exists.Experiments and simulations are performed to validate our theoretic analysis.These signal features may offer a unique way to investigate porous structures and may find applications in biomedicine and material science.

  15. Evaluation of Possible Nuclear Magnetic Resonance Diagnostic Techniques for Tokamak Experiments

    International Nuclear Information System (INIS)

    Potential applications of nuclear magnetic resonance (NMR) diagnostic techniques to tokamak experiments are evaluated. NMR frequencies for hydrogen isotopes and low-Z nuclei in such experiments are in the frequency range approximately equal to 20-200 MHz, so existing RF [radio-frequency] antennas could be used to rotate the spin polarization and to make the NMR measurements. Our tentative conclusion is that such measurements are possible if highly spin polarized H or (superscript)3He gas sources (which exist) are used to fuel these plasmas. In addition, NMR measurements of the surface layers of the first wall (without plasma) may also be possible, e.g., to evaluate the inventory of tritium inside the vessel

  16. 13C Solid State Nuclear Magnetic Resonance and µ-Raman Spectroscopic Characterization of Sicilian Amber.

    Science.gov (United States)

    Barone, Germana; Capitani, Donatella; Mazzoleni, Paolo; Proietti, Noemi; Raneri, Simona; Longobardo, Ugo; Di Tullio, Valeria

    2016-08-01

    (13)C cross-polarization magic angle spinning (CPMAS) nuclear magnetic resonance (NMR) and µ-Raman spectroscopy were applied to characterize Sicilian amber samples. The main goal of this work was to supply a complete study of simetite, highlighting discriminating criteria useful to distinguish Sicilian amber from fossil resins from other regions and laying the foundations for building a spectroscopic database of Sicilian amber. With this aim, a private collection of unrefined simetite samples and fossil resins from the Baltic region and Dominican Republic was analyzed. Overall, the obtained spectra permitted simetite to be distinguished from the other resins. In addition, principal component analysis (PCA) was applied to the spectroscopic data, allowing the clustering of simetite samples with respect to the Baltic and Dominican samples and to group the simetite samples in two sets, depending on their maturity. Finally, the analysis of loadings allowed for a better understanding of the spectral features that mainly influenced the discriminating characteristics of the investigated ambers.

  17. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Tatsuya Fukushima

    2015-08-01

    Full Text Available Liquid organic light-emitting diodes (liquid OLEDs are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation.

  18. Nuclear Magnetic Resonance Identification of New Sulfonic Acid Metabolites of Chloroacetanilide Herbicides

    Science.gov (United States)

    Morton, M.D.; Walters, F.H.; Aga, D.S.; Thurman, E.M.; Larive, C.K.

    1997-01-01

    The detection of the sulfonic acid metabolites of the chloroacetanilide herbicides acetochlor, alachlor, butachlor, propachlor, and, more recently, metolachlor in surface and ground water suggests that a common mechanism for dechlorination exists via the glutathione conjugation pathway. The identification of these herbicides and their metabolites is important due to growing public awareness and concern about pesticide levels in drinking water. Although these herbicides are regulated, little is known about the fate of their metabolites in soil. The sulfonic acid metabolites were synthesized by reaction of the parent compounds with an excess of sodium sulfite. Acetochlor, alachlor, butachlor, metolachlor, and propachlor and their sulfonic acid metabolites were studied by nuclear magnetic resonance spectroscopy and fast atom bombardment mass spectrometry. This paper provides a direct method for the preparation and characterization of these compounds that will be useful in the analysis and study of chloracetanilide herbicides and their metabolites.

  19. A reactor for high-throughput high-pressure nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Beach, N. J.; Knapp, S. M. M.; Landis, C. R.

    2015-10-01

    The design of a reactor for operando nuclear magnetic resonance (NMR) monitoring of high-pressure gas-liquid reactions is described. The Wisconsin High Pressure NMR Reactor (WiHP-NMRR) design comprises four modules: a sapphire NMR tube with titanium tube holder rated for pressures as high as 1000 psig (68 atm) and temperatures ranging from -90 to 90 °C, a gas circulation system that maintains equilibrium concentrations of dissolved gases during gas-consuming or gas-releasing reactions, a liquid injection apparatus that is capable of adding measured amounts of solutions to the reactor under high pressure conditions, and a rapid wash system that enables the reactor to be cleaned without removal from the NMR instrument. The WiHP-NMRR is compatible with commercial 10 mm NMR probes. Reactions performed in the WiHP-NMRR yield high quality, information-rich, and multinuclear NMR data over the entire reaction time course with rapid experimental turnaround.

  20. Continuous wave free precession Practical analytical tool for low-resolution nuclear magnetic resonance measurements

    International Nuclear Information System (INIS)

    The use of continuous wave free precession (CWFP) as a practical analytical tool for quantitative determinations in low-resolution nuclear magnetic resonance (LRNMR) is examined. The requirements of this technique are shown to be no more demanding than those prevailing in free-induction decay or spin-echo measurements. It is shown that the substantial gain in signal to noise ratio for a given acquisition time permitted by CWFP, can be exploited with advantage in practically any application of LRNMR. This applies not only to homogeneous low viscosity liquid samples but also to multi-component systems where differences in relaxation times of each component permit a separation of the individual contributions. As an example, the use of CWFP for fast quantitative determination of oil and moisture in various seeds is presented

  1. Developments in quantum information processing by nuclear magnetic resonance: Use of quadrupolar and dipolar couplings

    Indian Academy of Sciences (India)

    Anil Kumar; K V Ramanathan; T S Mahesh; Neeraj Sinha; K V R Murali

    2002-08-01

    Use of dipolar and quadrupolar couplings for quantum information processing (QIP) by nuclear magnetic resonance (NMR) is described. In these cases, instead of the individual spins being qubits, the 2 energy levels of the spin-system can be treated as an -qubit system. It is demonstrated that QIP in such systems can be carried out using transition-selective pulses, in CH3CN, 13CH3CN, 7Li ( = 3/2) and 133Cs ( = 7/2), oriented in liquid crystals yielding 2 and 3 qubit systems. Creation of pseudopure states, implementation of logic gates and arithmetic operations (half-adder and subtractor) have been carried out in these systems using transition-selective pulses.

  2. Solution nuclear magnetic resonance structure of membrane-integral diacylglycerol kinase.

    Science.gov (United States)

    Van Horn, Wade D; Kim, Hak-Jun; Ellis, Charles D; Hadziselimovic, Arina; Sulistijo, Endah S; Karra, Murthy D; Tian, Changlin; Sönnichsen, Frank D; Sanders, Charles R

    2009-06-26

    Escherichia coli diacylglycerol kinase (DAGK) represents a family of integral membrane enzymes that is unrelated to all other phosphotransferases. We have determined the three-dimensional structure of the DAGK homotrimer with the use of solution nuclear magnetic resonance. The third transmembrane helix from each subunit is domain-swapped with the first and second transmembrane segments from an adjacent subunit. Each of DAGK's three active sites resembles a portico. The cornice of the portico appears to be the determinant of DAGK's lipid substrate specificity and overhangs the site of phosphoryl transfer near the water-membrane interface. Mutations to cysteine that caused severe misfolding were located in or near the active site, indicating a high degree of overlap between sites responsible for folding and for catalysis. PMID:19556511

  3. Nuclear magnetic resonance spectroscopy and chemometrics to identify pine nuts that cause taste disturbance.

    Science.gov (United States)

    Kobler, Helmut; Monakhova, Yulia B; Kuballa, Thomas; Tschiersch, Christopher; Vancutsem, Jeroen; Thielert, Gerhard; Mohring, Arne; Lachenmeier, Dirk W

    2011-07-13

    Nontargeted 400 MHz (13)C and (1)H nuclear magnetic resonance (NMR) spectroscopy was used in the context of food surveillance to reveal Pinus species whose nuts cause taste disturbance following their consumption, the so-called pine nut syndrome (PNS). Using principal component analysis, three groups of pine nuts were distinguished. PNS-causing products were found in only one of the groups, which however also included some normal products. Sensory analysis was still required to confirm PNS, but NMR allowed the sorting of 53% of 57 samples, which belong to the two groups not containing PNS species. Furthermore, soft independent modeling of class analogy was able to classify the samples between the three groups. NMR spectroscopy was judged as suitable for the screening of pine nuts for PNS. This process may be advantageous as a means of importation control that will allow the identification of samples suitable for direct clearance and those that require further sensory analysis.

  4. Discriminating poststroke depression from stroke by nuclear magnetic resonance spectroscopy-based metabonomic analysis

    Directory of Open Access Journals (Sweden)

    Xiao J

    2016-08-01

    Full Text Available Jianqi Xiao,1,* Jie Zhang,2,* Dan Sun,3,* Lin Wang,4,* Lijun Yu,5 Hongjing Wu,5 Dan Wang,5 Xuerong Qiu5 1Department of Neurosurgery, The First Hospital of Qiqihar City, Qiqihar, 2Department of Internal Medicine, Central Hospital of Jiamusi City, Jiamusi, 3Department of Geriatrics, General Hospital of Daqing Oil Field, Daqing, 4Department of Nursing, 5Department of Neurology, The First Hospital of Qiqihar City, Qiqihar, Heilongjiang, People’s Republic of China *These authors contributed equally to this work Abstract: Poststroke depression (PSD, the most common psychiatric disease that stroke survivors face, is estimated to affect ~30% of poststroke patients. However, there are still no objective methods to diagnose PSD. In this study, to explore the differential metabolites in the urine of PSD subjects and to identify a potential biomarker panel for PSD diagnosis, the nuclear magnetic resonance-based metabonomic method was applied. Ten differential metabolites responsible for discriminating PSD subjects from healthy control (HC and stroke subjects were found, and five of these metabolites were identified as potential biomarkers (lactate, α-hydroxybutyrate, phenylalanine, formate, and arabinitol. The panel consisting of these five metabolites provided excellent performance in discriminating PSD subjects from HC and stroke subjects, achieving an area under the receiver operating characteristic curve of 0.946 in the training set (43 HC, 45 stroke, and 62 PSD subjects. Moreover, this panel could classify the blinded samples from the test set (31 HC, 33 stroke, and 32 PSD subjects with an area under the curve of 0.946. These results laid a foundation for the future development of urine-based objective methods for PSD diagnosis and investigation of PSD pathogenesis. Keywords: poststroke depression, PSD, stroke, nuclear magnetic resonance, NMR, metabonomic

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

    OpenAIRE

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

    2002-01-01

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

  6. Cardiovascular imaging in the diagnosis and monitoring of cardiotoxicity: cardiovascular magnetic resonance and nuclear cardiology.

    Science.gov (United States)

    Pepe, Alessia; Pizzino, Fausto; Gargiulo, Paola; Perrone-Filardi, Pasquale; Cadeddu, Christian; Mele, Donato; Monte, Ines; Novo, Giuseppina; Zito, Concetta; Di Bella, Gianluca

    2016-05-01

    Chemotherapy-induced cardiotoxicity (CTX) is a determining factor for the quality of life and mortality of patients administered potentially cardiotoxic drugs and in long-term cancer survivors. Therefore, prevention and early detection of CTX are highly desirable, as is the exploration of alternative therapeutic strategies and/or the proposal of potentially cardioprotective treatments. In recent years, cardiovascular imaging has acquired a pivotal role in this setting. Although echocardiography remains the diagnostic method most used to monitor cancer patients, the need for more reliable, reproducible and accurate detection of early chemotherapy-induced CTX has encouraged the introduction of second-line advanced imaging modalities, such as cardiac magnetic resonance (CMR) and nuclear techniques, into the clinical setting. This review of the Working Group on Drug Cardiotoxicity and Cardioprotection of the Italian Society of Cardiology aims to afford an overview of the most important findings from the literature about the role of CMR and nuclear techniques in the management of chemotherapy-treated patients, describe conventional and new parameters for detecting CTX from both diagnostic and prognostic perspectives and provide integrated insight into the role of CMR and nuclear techniques compared with other imaging tools and versus the positions of the most important international societies.

  7. Angstrom-Resolution Magnetic Resonance Imaging of Single Molecules via Wave-Function Fingerprints of Nuclear Spins

    Science.gov (United States)

    Ma, Wen-Long; Liu, Ren-Bao

    2016-08-01

    Single-molecule sensitivity of nuclear magnetic resonance (NMR) and angstrom resolution of magnetic resonance imaging (MRI) are the highest challenges in magnetic microscopy. Recent development in dynamical-decoupling- (DD) enhanced diamond quantum sensing has enabled single-nucleus NMR and nanoscale NMR. Similar to conventional NMR and MRI, current DD-based quantum sensing utilizes the "frequency fingerprints" of target nuclear spins. The frequency fingerprints by their nature cannot resolve different nuclear spins that have the same noise frequency or differentiate different types of correlations in nuclear-spin clusters, which limit the resolution of single-molecule MRI. Here we show that this limitation can be overcome by using "wave-function fingerprints" of target nuclear spins, which is much more sensitive than the frequency fingerprints to the weak hyperfine interaction between the targets and a sensor under resonant DD control. We demonstrate a scheme of angstrom-resolution MRI that is capable of counting and individually localizing single nuclear spins of the same frequency and characterizing the correlations in nuclear-spin clusters. A nitrogen-vacancy-center spin sensor near a diamond surface, provided that the coherence time is improved by surface engineering in the near future, may be employed to determine with angstrom resolution the positions and conformation of single molecules that are isotope labeled. The scheme in this work offers an approach to breaking the resolution limit set by the "frequency gradients" in conventional MRI and to reaching the angstrom-scale resolution.

  8. Quantification of aquifer properties with surface nuclear magnetic resonance in the Platte River valley, central Nebraska, using a novel inversion method

    Science.gov (United States)

    Irons, Trevor P.; Hobza, Christopher M.; Steele, Gregory V.; Abraham, Jared D.; Cannia, James C.; Woodward, Duane D.

    2012-01-01

    Surface nuclear magnetic resonance, a noninvasive geophysical method, measures a signal directly related to the amount of water in the subsurface. This allows for low-cost quantitative estimates of hydraulic parameters. In practice, however, additional factors influence the signal, complicating interpretation. The U.S. Geological Survey, in cooperation with the Central Platte Natural Resources District, evaluated whether hydraulic parameters derived from surface nuclear magnetic resonance data could provide valuable input into groundwater models used for evaluating water-management practices. Two calibration sites in Dawson County, Nebraska, were chosen based on previous detailed hydrogeologic and geophysical investigations. At both sites, surface nuclear magnetic resonance data were collected, and derived parameters were compared with results from four constant-discharge aquifer tests previously conducted at those same sites. Additionally, borehole electromagnetic-induction flowmeter data were analyzed as a less-expensive surrogate for traditional aquifer tests. Building on recent work, a novel surface nuclear magnetic resonance modeling and inversion method was developed that incorporates electrical conductivity and effects due to magnetic-field inhomogeneities, both of which can have a substantial impact on the data. After comparing surface nuclear magnetic resonance inversions at the two calibration sites, the nuclear magnetic-resonance-derived parameters were compared with previously performed aquifer tests in the Central Platte Natural Resources District. This comparison served as a blind test for the developed method. The nuclear magnetic-resonance-derived aquifer parameters were in agreement with results of aquifer tests where the environmental noise allowed data collection and the aquifer test zones overlapped with the surface nuclear magnetic resonance testing. In some cases, the previously performed aquifer tests were not designed fully to characterize

  9. High-resolution nuclear magnetic resonance measurements in inhomogeneous magnetic fields: A fast two-dimensional J-resolved experiment.

    Science.gov (United States)

    Huang, Yuqing; Lin, Yung-Ya; Cai, Shuhui; Yang, Yu; Sun, Huijun; Lin, Yanqin; Chen, Zhong

    2016-03-14

    High spectral resolution in nuclear magnetic resonance (NMR) is a prerequisite for achieving accurate information relevant to molecular structures and composition assignments. The continuous development of superconducting magnets guarantees strong and homogeneous static magnetic fields for satisfactory spectral resolution. However, there exist circumstances, such as measurements on biological tissues and heterogeneous chemical samples, where the field homogeneity is degraded and spectral line broadening seems inevitable. Here we propose an NMR method, named intermolecular zero-quantum coherence J-resolved spectroscopy (iZQC-JRES), to face the challenge of field inhomogeneity and obtain desired high-resolution two-dimensional J-resolved spectra with fast acquisition. Theoretical analyses for this method are given according to the intermolecular multiple-quantum coherence treatment. Experiments on (a) a simple chemical solution and (b) an aqueous solution of mixed metabolites under externally deshimmed fields, and on (c) a table grape sample with intrinsic field inhomogeneity from magnetic susceptibility variations demonstrate the feasibility and applicability of the iZQC-JRES method. The application of this method to inhomogeneous chemical and biological samples, maybe in vivo samples, appears promising.

  10. Fabrication and Magnetic Properties of Co-Doped TiO2 Powders Studied by Nuclear Magnetic Resonance

    Institute of Scientific and Technical Information of China (English)

    GE Shi-Hui; WANG Xin-Wei; KOU Xiao-Ming; ZHOU Xue-Yun; XI Li; ZUO Ya-Lu; YANG Xiao-Lin; ZHAO Yu-Xuan

    2005-01-01

    @@ Co0.04 Ti0.96 O2 powders are fabricated by sol-gel method. The structure and magnetic properties are investigated under different annealing conditions systematically with emphasis on the influence of oxygen pressure. Pure anatase structure was acquired for all the samples annealed at 450 ℃ for one hour. The samples annealed in air exhibit evident room-temperature ferromagnetism (RTFM) with a small magnetic moment of 0.029μB per Co atom and coercivity Hc of 26 Oe, while the samples annealed in vacuum have strong RTFM with a larger magnetic moment of 1.18 μB per Co atom and Hc of 430 Oe. The zero-field spin echo nuclear magnetic resonance spectrum of 59 Co is obtained to prove the existence of Co clusters in the latter samples, implying that the Co clusters are responsible for the strong RTFM in the samples annealed in vacuum. No Co cluster could be observed using both XPS and NMR techniques in the samples annealed in air, implying that the RTFM found in these samples is intrinsic.

  11. Advances in high-resolution nuclear magnetic resonance methods in inhomogeneous magnetic fields using intermolecular multiple quantum coherences

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    Strong and extremely homogeneous static magnetic field is usually required for high-resolution nu-clear magnetic resonance (NMR). However, in the cases of in vivo and so on, the magnetic field inho-mogeneity owing to magnetic susceptibility variation in samples is unavoidable and hard to eliminate by conventional methods such as shimming. Recently, intermolecular multiple quantum coherences (iMQCs) have been employed to eliminate inhomogeneous broadening and obtain high-resolution NMR spectra, especially for in vivo samples. Compared to other high-resolution NMR methods, iMQC method exhibits its unique feature and advantage. It simultaneously holds information of chemical shifts, multiplet structures, coupling constants, and relative peak areas. All the information is often used to analyze and characterize molecular structures in conventional one-dimensional NMR spec-troscopy. In this work, recent technical developments including our results in this field are summarized; the high-resolution mechanism is analyzed and comparison with other methods based on interactions between spins is made; comments on the current situation and outlook on the research directions are also made.

  12. Level and position of substituents in cross-linked and hydroxypropylated sweet potato starches using nuclear magnetic resonance spectroscopy

    NARCIS (Netherlands)

    Zhao, J.; Chen, Z.; Jin, Z.; Waard, de P.; Buwalda, Piet; Gruppen, H.; Schols, H.A.

    2015-01-01

    Sweet potato starch was cross-linked using sodium trimetaphosphate and hydroxypropylated using propylene oxide. The level and position of phosphorus and hydroxypropyl groups within cross-linked and hydroxypropylated sweet potato starch was investigated by phosphorus and proton nuclear magnetic reson

  13. Two-Dimensional Nuclear Magnetic Resonance Structure Determination Module for Introductory Biochemistry: Synthesis and Structural Characterization of Lyso-Glycerophospholipids

    Science.gov (United States)

    Garrett, Teresa A.; Rose, Rebecca L.; Bell, Sidney M.

    2013-01-01

    In this laboratory module, introductory biochemistry students are exposed to two-dimensional [superscript 1]H-nuclear magnetic resonance of glycerophospholipids (GPLs). Working in groups of three, students enzymatically synthesized and purified a variety of 2-acyl lyso GPLs. The structure of the 2-acyl lyso GPL was verified using [superscript…

  14. Materials presented at the 26. All-Polish Seminar on the Nuclear Magnetic Resonance and its application

    International Nuclear Information System (INIS)

    In this report the contributions to the 26. All-Polish seminar on the Nuclear Magnetic Resonance and its Application are presented. They cover wide range of problems as NMR instrumentation, the NMR and spin relaxation theory, image analysis and computerized control systems for NMR spectrometers. The results of investigation using NMR on different scientific fields are also presented

  15. Materials presented at the 27 All-Polish Seminar on the Nuclear Magnetic Resonance and its application

    International Nuclear Information System (INIS)

    In this report the contributions to the 27 All-Polish seminar on the Nuclear Magnetic Resonance and its Application are presented. They cover wide range of problems as NMR instrumentation, the NMR and spin relaxation theory, image analysis and computerized control systems for NMR spectrometers. The results of investigation using NMR on different scientific fields are also presented

  16. On the possibility of determining the thermodynamic temperature of colloid solutions by the nuclear magnetic resonance method

    Science.gov (United States)

    Davydov, V. V.; Dudkin, V. I.

    2016-07-01

    A new method of determining the thermodynamic temperature of colloid solutions placed onto a sealed glass vessel is considered; the method is based on measurements of the magnetic susceptibility in flowing liquid by the magnetic nuclear resonance method. Experimental results show that the Curie law holds for colloid solutions in the temperature range of 278-333 K, in which ferrofluid cells prepared based on these solutions are used.

  17. Nuclear-magnetic-resonance characterization of the defect migrating during stage III in electron-irradiated copper

    International Nuclear Information System (INIS)

    Nuclear quadrupolar couplings around monovacancies created by electron irradiation in copper have been measured by the nuclear-magnetic-resonance field-cycling technique. The corresponding quadrupolar transitions disappear completely after the annealing stage III of the residual resistivity, while 17% of the initial resistivity increase remains. Consequently, this experiment shows unambiguously that all the monovacancies are annihilated or agglomerate during stage III and rules out the model in which split interstitials migrate during stage III and monovacancies during stage IV

  18. Application of nuclear magnetic resonance in osteoporosis evaluation; Aplicacoes de ressonancia magnetica nuclear na avaliacao de osteoporose

    Energy Technology Data Exchange (ETDEWEB)

    Giannoni, Ricardo A., E-mail: giannoni@ird.gov.br [Instituto de Radioprotecao e Dosimetria (IRD/CNEN-RJ), Rio de Janeiro, RJ (Brazil); Montrazi, Elton T.; Bonagamba, Tito J., E-mail: elton.montrazi@gmail.com, E-mail: tito@ifsc.usp.br [Universidade de Sao Paulo (IFSC/USP), Sao Carlos, SP (Brazil). Inst. de Fisica; Cesar, Reinaldo, E-mail: reinaldofisica@gmail.com [Universidade de Sao Paulo (EESC/USP), Sao Carlos, SP (Brazil). Escola de Engenharia

    2013-07-01

    In this work, initially ceramic samples of known porosity were used. These ceramic samples were saturated with water. The nuclear magnetic resonance signal due to relaxation processes that the hydrogen nucleus water contained in the pores of this ceramic material was measured. Then these samples were subjected to a process of drying and measures successively. As the water contained in pores greater evaporates the intensity of signal decreases and shows the sign because of the smaller pores. The analysis of this drying process gives a qualitative assessment of the pore size of the material. In a second step, bones of animals of unknown porosity underwent the same methodology for evaluating osteoporosis. Also a sample of human vertebra in a unique manner, with the same purpose was measured. Combined with other techniques is a quantitative evaluation of the possible porosity.

  19. Dynamic nuclear polarization-magnetic resonance imaging at low ESR irradiation frequency for ascorbyl free radicals

    Science.gov (United States)

    Ito, Shinji; Hyodo, Fuminori

    2016-02-01

    Highly water-soluble ubiquinone-0 (CoQ0) reacts with ascorbate monoanion (Asc) to mediate the production of ascorbyl free radicals (AFR). Using aqueous reaction mixture of CoQ0 and Asc, we obtained positively enhanced dynamic nuclear polarization (DNP)-magnetic resonance (MR) images of the AFR at low frequency (ranging from 515 to 530 MHz) of electron spin resonance (ESR) irradiation. The shape of the determined DNP spectrum was similar to ESR absorption spectra with doublet spectral peaks. The relative locational relationship of spectral peaks in the DNP spectra between the AFR (520 and 525 MHz), 14N-labeled carbamoyl-PROXYL (14N-CmP) (526.5 MHz), and Oxo63 (522 MHz) was different from that in the X-band ESR spectra, but were similar to that in the 300-MHz ESR spectra. The ratio of DNP enhancement to radical concentration for the AFR was higher than those for 14N-CmP, Oxo63, and flavin semiquinone radicals. The spectroscopic DNP properties observed for the AFR were essentially the same as those for AFR mediated by pyrroloquinoline quinone. Moreover, we made a success of in vivo DNP-MR imaging of the CoQ0-mediated AFR which was administered by the subcutaneous and oral injections as an imaging probe.

  20. A biofilm microreactor system for simultaneous electrochemical and nuclear magnetic resonance techniques

    Energy Technology Data Exchange (ETDEWEB)

    Renslow, Ryan S.; Babauta, Jerome T.; Majors, Paul D.; Mehta, Hardeep S.; Ewing, R James; Ewing, Thomas; Mueller, Karl T.; Beyenal, Haluk

    2014-03-01

    In order to fully understand electrochemically active biofilms and the limitations to their scale-up in industrial biofilm reactors, a complete picture of the microenvironments inside the biofilm is needed. Nuclear magnetic resonance (NMR) techniques are ideally suited for the study of biofilms and for probing their microenvironments because these techniques allow for non-invasive interrogation and in situ monitoring with high resolution. By combining NMR with simultaneous electrochemical techniques, it is possible to sustain and study live electrochemically active biofilms. Here, we introduce a novel biofilm microreactor system that allows for simultaneous electrochemical and NMR techniques (EC-NMR) at the microscale. Microreactors were designed with custom radiofrequency resonator coils, which allowed for NMR measurements of biofilms growing on polarized gold electrodes. For an example application of this system, we grew Geobacter sulfurreducens biofilms. NMR was used to investigate growth media flow velocities, which were compared to simulated laminar flow, and electron donor concentrations inside the biofilms. We use Monte Carlo error analysis to estimate standard deviations of the electron donor concentration measurements within the biofilm. The EC-NMR biofilm microreactor system can ultimately be used to correlate extracellular electron transfer rates with metabolic reactions and explore extracellular electron transfer mechanisms.

  1. Nuclear magnetic resonance wide-line study of hydrogen in the yttrium-yttrium dihydride system

    International Nuclear Information System (INIS)

    The 1H nuclear magnetic resonance was studied in the yttrium-hydrogen system YH/sub x/ in the composition range 0.20 less than or equal to x less than or equal to 1.98 and temperature range 77 K less than or equal to T less than or equal to 4900K. Both α- and β-phases of YH/sub x/ were investigated in polycrystalline (powdered) specimens. Rigid lattice proton resonance second moments were obtained for both α- and β-phase samples. Analysis of the second moment for α-YH/sub x/ (α-phase) indicates that the hydrogen resides in both the tetrahedral and octahedral interstitial sites of the hcp Y lattice. Second moment values for β-YH/sub x/ (β-phase) indicate that a sizeable fraction of the octahedral interstitial sites in the fcc yttrium metal lattice are occupied by hydrogen, while a nonnegligible fraction of the tetrahedral interstitial sites are vacant. For example, in YH/sub 1.98/, 28% of the octahedral sites are occupied, while 15% of the tetrahedral sites are vacant. The results for β-YH/sub x/ also indicate that as the H concentration increases, the probability of H occupation of octahedral sites increases

  2. A biofilm microreactor system for simultaneous electrochemical and nuclear magnetic resonance techniques.

    Science.gov (United States)

    Renslow, R S; Babauta, J T; Majors, P D; Mehta, H S; Ewing, R J; Ewing, T W; Mueller, K T; Beyenal, H

    2014-01-01

    Nuclear magnetic resonance (NMR) techniques are ideally suited for the study of biofilms and for probing their microenvironments because these techniques allow for noninvasive interrogation and in situ monitoring with high resolution. By combining NMR with simultaneous electrochemical techniques, it is possible to sustain and study live biofilms respiring on electrodes. Here, we describe a biofilm microreactor system, including a reusable and a disposable reactor, that allows for simultaneous electrochemical and NMR techniques (EC-NMR) at the microscale. Microreactors were designed with custom radio frequency resonator coils, which allowed for NMR measurements of biofilms growing on polarized gold electrodes. For an example application of this system we grew Geobacter sulfurreducens biofilms on electrodes. EC-NMR was used to investigate growth medium flow velocities and depth-resolved acetate concentration inside the biofilm. As a novel contribution we used Monte Carlo error analysis to estimate the standard deviations of the acetate concentration measurements. Overall, we found that the disposable EC-NMR microreactor provided a 9.7 times better signal-to-noise ratio over the reusable reactor. The EC-NMR biofilm microreactor system can ultimately be used to correlate extracellular electron transfer rates with metabolic reactions and explore extracellular electron transfer mechanisms.

  3. Characterization of elastic interactions in GaAs/Si composites by optically pumped nuclear magnetic resonance

    Science.gov (United States)

    Wood, Ryan M.; Tokarski, John T.; McCarthy, Lauren A.; Stanton, Christopher J.; Bowers, Clifford R.

    2016-08-01

    Elastic interactions in GaAs/Si bilayer composite structures were studied by optically pumped nuclear magnetic resonance (OPNMR). The composites were fabricated by epoxy bonding of a single crystal of GaAs to a single crystal of Si at 373 K followed by selective chemical etching of the GaAs at room temperature to obtain a series of samples with GaAs thickness varying from 37 μm to 635 μm, while the Si support thickness remained fixed at 650 μm. Upon cooling to below 10 K, a biaxial tensile stress developed in the GaAs film due to differential thermal contraction. The strain perpendicular to the plane of the bilayer and localized near the surface of the GaAs was deduced from the quadrupolar splitting of the Gallium-71 OPNMR resonance. Strain relaxation by bowing of the composite was observed to an extent that depended on the relative thickness of the GaAs and Si layers. The variation of the strain with GaAs layer thickness was found to be in good agreement with a general analytical model for the elastic relationships in composite media.

  4. Partial-Homogeneity-Based Two-Dimensional High-Resolution Nuclear Magnetic Resonance Spectroscopy under Inhomogeneous Magnetic Fields.

    Science.gov (United States)

    Qiu, Wenqi; Wei, Zhiliang; Ding, Nan; Yang, Yu; Ye, Qimiao; Lin, Yulan; Chen, Zhong

    2016-05-18

    High-resolution multidimensional nuclear magnetic resonance (NMR) spectroscopy serves as an irreplaceable and versatile tool in various chemical investigations. In this study, a method based on the concept of partial homogeneity is developed to offer two-dimensional (2D) high-resolution NMR spectra under inhomogeneous fields. Oscillating gradients are exerted to encode the high-resolution information, and a field-inhomogeneity correction algorithm based on pattern recognition is designed to recover high-resolution spectra. Under fields where inhomogeneity primarily distributes along a single orientation, the proposed method will improve performances of 2D NMR spectroscopy without increasing the experimental duration or significant loss in sensitivity, and thus may open important perspectives for studies of inhomogeneous chemical systems.

  5. Anvil cell gasket design for high pressure nuclear magnetic resonance experiments beyond 30 GPa

    Science.gov (United States)

    Meier, Thomas; Haase, Jürgen

    2015-12-01

    Nuclear magnetic resonance (NMR) experiments are reported at up to 30.5 GPa of pressure using radiofrequency (RF) micro-coils with anvil cell designs. These are the highest pressures ever reported with NMR, and are made possible through an improved gasket design based on nano-crystalline powders embedded in epoxy resin. Cubic boron-nitride (c-BN), corundum (α-Al2O3), or diamond based composites have been tested, also in NMR experiments. These composite gaskets lose about 1/2 of their initial height up to 30.5 GPa, allowing for larger sample quantities and preventing damages to the RF micro-coils compared to precipitation hardened CuBe gaskets. It is shown that NMR shift and resolution are less affected by the composite gaskets as compared to the more magnetic CuBe. The sensitivity can be as high as at normal pressure. The new, inexpensive, and simple to engineer gaskets are thus superior for NMR experiments at high pressures.

  6. Characterisation of black carbon-rich samples by 13C solid-state nuclear magnetic resonance

    Science.gov (United States)

    Novotny, Etelvino H.; Hayes, Michael H. B.; Deazevedo, Eduardo R.; Bonagamba, Tito J.

    2006-09-01

    There are difficulties in quantifying and characterising the organic matter (OM) in soils that contain significant amounts of partially oxidised char or charcoal materials. The anthropogenic black carbon (BC), such as that found in the Terra Preta de Índio soils of the Amazon region, is a good example of the OM that is difficult to analyse in such soils. 13C direct polarisation/magic angle spinning (DP/MAS) at high MAS frequency, 1H-13C cross polarisation (CP)/MAS with total suppression of spinning sidebands (TOSS), and chemical shift anisotropy (CSA) filter nuclear magnetic resonance techniques have been applied successfully for quantifying the different components of OM. However, because pyrogenic materials present strong local magnetic susceptibility heterogeneities, the use of CSA-filter and TOSS make the pulse sequences very sensitive to imperfections in the π pulses. In this study, the DP/MAS pulse sequence was replaced by a CP with a radio frequency ramp—variable amplitude CP (VACP)—VACP/MAS pulse sequence, and composite π pulses were used in the CSA-filter and TOSS pulse sequences. In that way, the component functionalities in a humic acid from a BC soil were successfully determined. The spectrometer time needed was greatly decreased by employing this VACP/MAS technique. This development provides an accurate method for characterising BC-rich samples from different origins.

  7. Characterisation of black carbon-rich samples by (13)C solid-state nuclear magnetic resonance.

    Science.gov (United States)

    Novotny, Etelvino H; Hayes, Michael H B; Deazevedo, Eduardo R; Bonagamba, Tito J

    2006-09-01

    There are difficulties in quantifying and characterising the organic matter (OM) in soils that contain significant amounts of partially oxidised char or charcoal materials. The anthropogenic black carbon (BC), such as that found in the Terra Preta de Indio soils of the Amazon region, is a good example of the OM that is difficult to analyse in such soils. (13)C direct polarisation/magic angle spinning (DP/MAS) at high MAS frequency, (1)H-(13)C cross polarisation (CP)/MAS with total suppression of spinning sidebands (TOSS), and chemical shift anisotropy (CSA) filter nuclear magnetic resonance techniques have been applied successfully for quantifying the different components of OM. However, because pyrogenic materials present strong local magnetic susceptibility heterogeneities, the use of CSA-filter and TOSS make the pulse sequences very sensitive to imperfections in the pi pulses. In this study, the DP/MAS pulse sequence was replaced by a CP with a radio frequency ramp--variable amplitude CP (VACP)--VACP/MAS pulse sequence, and composite pi pulses were used in the CSA-filter and TOSS pulse sequences. In that way, the component functionalities in a humic acid from a BC soil were successfully determined. The spectrometer time needed was greatly decreased by employing this VACP/MAS technique. This development provides an accurate method for characterising BC-rich samples from different origins. PMID:16688435

  8. Study on signal intensity of low field nuclear magnetic resonance via an indirect coupling measurement

    Science.gov (United States)

    Jiang, Feng-Ying; Wang, Ning; Jin, Yi-Rong; Deng, Hui; Tian, Ye; Lang, Pei-Lin; Li, Jie; Chen, Ying-Fei; Zheng, Dong-Ning

    2013-04-01

    We carry out an ultra-low-field nuclear magnetic resonance (NMR) experiment based on high-Tc superconducting quantum interference devices (SQUIDs). The measurement field is in a micro-tesla range (~10 μT-100 μT) and the experiment is conducted in a home-made magnetically-shielded-room (MSR). The measurements are performed by the indirect coupling method in which the signal of nuclei precession is indirectly coupled to the SQUID through a tuned copper coil transformer. In such an arrangement, the interferences of applied measurement and polarization field to the SQUID sensor are avoided and the performance of the SQUID is not destroyed. In order to compare the detection sensitivity obtained by using the SQUID with that achieved using a conventional low-noise-amplifier, we perform the measurements using a commercial room temperature amplifier. The results show that in a wide frequency range (~1 kHz-10 kHz) the measurements with the SQUID sensor exhibit a higher signal-to-noise ratio. Further, we discuss the dependence of NMR peak magnitude on measurement frequency. We attribute the reduction of the peak magnitude at high frequency to the increased field inhomogeneity as the measurement field increases. This is verified by compensating the field gradient using three sets of gradient coils.

  9. Anvil cell gasket design for high pressure nuclear magnetic resonance experiments beyond 30 GPa

    Energy Technology Data Exchange (ETDEWEB)

    Meier, Thomas; Haase, Jürgen [Faculty of Physics and Earth Sciences, University of Leipzig, Linnéstrasse 5, Leipzig 04103 (Germany)

    2015-12-15

    Nuclear magnetic resonance (NMR) experiments are reported at up to 30.5 GPa of pressure using radiofrequency (RF) micro-coils with anvil cell designs. These are the highest pressures ever reported with NMR, and are made possible through an improved gasket design based on nano-crystalline powders embedded in epoxy resin. Cubic boron-nitride (c-BN), corundum (α-Al{sub 2}O{sub 3}), or diamond based composites have been tested, also in NMR experiments. These composite gaskets lose about 1/2 of their initial height up to 30.5 GPa, allowing for larger sample quantities and preventing damages to the RF micro-coils compared to precipitation hardened CuBe gaskets. It is shown that NMR shift and resolution are less affected by the composite gaskets as compared to the more magnetic CuBe. The sensitivity can be as high as at normal pressure. The new, inexpensive, and simple to engineer gaskets are thus superior for NMR experiments at high pressures.

  10. Study on signal intensity of low field nuclear magnetic resonance via an indirect coupling measurement

    Institute of Scientific and Technical Information of China (English)

    Jiang Feng-Ying; Wang Ning; Jin Yi-Rong; Deng Hui; Tian Ye; Lang Pei-Lin; Li Jie

    2013-01-01

    We carry out an ultra-low-field nuclear magnetic resonance (NMR) experiment based on high-Tc superconducting quantum interference devices (SQUIDs).The measurement field is in a micro-tesla range (~10 μT-100 μT) and the experiment is conducted in a home-made magnetically-shielded-room (MSR).The measurements are performed by the indirect coupling method in which the signal of nuclei precession is indirectly coupled to the SQUID through a tuned copper coil transformer.In such an arrangement,the interferences of applied measurement and polarization field to the SQUID sensor are avoided and the performance of the SQUID is not destroyed.In order to compare the detection sensitivity obtained by using the SQUID with that achieved using a conventional low-noise-amplifier,we perform the measurements using a connercial room temperature amplifier.The results show that in a wide frequency range (~1 kHz-10 kHz) the measurements with the SQUID sensor exhibit a higher signal-to-noise ratio,Further,we discuss the dependence of NMR peak magnitude on measurement frequency.We attribute the reduction of the peak magnitude at high frequency to the increased field inhomogeneity as the measurement field increases.This is verified by compensating the field gradient using three sets of gradient coils.

  11. Anvil cell gasket design for high pressure nuclear magnetic resonance experiments beyond 30 GPa

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance (NMR) experiments are reported at up to 30.5 GPa of pressure using radiofrequency (RF) micro-coils with anvil cell designs. These are the highest pressures ever reported with NMR, and are made possible through an improved gasket design based on nano-crystalline powders embedded in epoxy resin. Cubic boron-nitride (c-BN), corundum (α-Al2O3), or diamond based composites have been tested, also in NMR experiments. These composite gaskets lose about 1/2 of their initial height up to 30.5 GPa, allowing for larger sample quantities and preventing damages to the RF micro-coils compared to precipitation hardened CuBe gaskets. It is shown that NMR shift and resolution are less affected by the composite gaskets as compared to the more magnetic CuBe. The sensitivity can be as high as at normal pressure. The new, inexpensive, and simple to engineer gaskets are thus superior for NMR experiments at high pressures

  12. /sup 31/P nuclear magnetic resonance study of renal allograft rejection in the rat

    Energy Technology Data Exchange (ETDEWEB)

    Shapiro, J.I.; Haug, C.E.; Shanley, P.F.; Weil, R. III; Chan, L.

    1988-01-01

    Phosphorus (/sup 31/P) nuclear magnetic resonance (NMR) spectroscopy was used to serially evaluate heterotopic renal allograft rejection in the rat. Renal allografts transplanted to the groin of recipient animals were studied using a 1.89 Tesla horizontal bore magnet. The relative intracellular concentrations of phosphorus metabolites such as adenosine triphosphate and inorganic phosphate as well as intracellular pH were determined by /sup 31/P NMR on days 4, 7, 10, and 14 following transplantation across a major histocompatibility mismatch. Recipient rats chosen to be rejectors received no immunosuppression while animals chosen to be nonrejectors received cyclosporine during the first 7 days following transplantation. By day 7, all rejector rats could be distinguished from nonrejector rats by their higher relative concentration of inorganic phosphate and their lower relative concentration of adenosine triphosphate. These NMR findings correlated with histologic findings of renal infarction probably related to vascular rejection in the allografts. /sup 31/P NMR spectroscopy may have application as a noninvasive tool in the differential diagnosis of posttransplantation renal insufficiency.

  13. Study of fluorine in silicate glass with 19F nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Duncan, T. M.; Douglass, D. C.; Csencsits, R.; Walker, K. L.

    1986-07-01

    We report an application of nuclear magnetic resonance (NMR) spectroscopy to the study of fluorine-doped silicate glass prepared by the modified chemical vapor deposition process, prior to drawing the rod into fibers. The silica contains 1.03-wt. % fluorine, as determined by the calibrated intensity of the 19F NMR spectrum. The isotropic chemical shift of the 19F spectrum shows that fluorine bonds only to silicon; there is no evidence of oxyfluorides. Analysis of the distribution of nuclear dipolar couplings between fluorine nuclei reveals that the relative populations of silicon monofluoride sites [Si(O-)3F] and species having near-neighbor fluorines, such as silicon difluoride sites [Si(O-)2F2], are nearly statistically random. That is, to a good approximation, the fluorine substitutes randomly into the oxygen sites of the silica network. There is no evidence of local clusters of fluorine sites, silicon trifluoride sites [Si(O-)F3], or silicon tetrafluoride (SiF4).

  14. Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: a basis set and correlation study.

    Science.gov (United States)

    Kjaer, Hanna; Nielsen, Monia R; Pagola, Gabriel I; Ferraro, Marta B; Lazzeretti, Paolo; Sauer, Stephan P A

    2012-09-01

    In this article, we present the so far most extended investigation of the calculation of the coupling constant polarizability of a molecule. The components of the coupling constant polarizability are derivatives of the nuclear magnetic resonance (NMR) indirect nuclear spin-spin coupling constant with respect to an external electric field and play an important role for both chiral discrimination and solvation effects on NMR coupling constants. In this study, we illustrate the effects of one-electron basis sets and electron correlation both at the level of density functional theory as well as second-order polarization propagator approximation for the small molecule hydrogen peroxide, which allowed us to perform calculations with the largest available basis sets optimized for the calculation of NMR coupling constants. We find a systematic but rather slow convergence with the one-electron basis set and that augmentation functions are required. We observe also large and nonsystematic correlation effects with significant differences between the density functional and wave function theory methods. PMID:22618604

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

    International Nuclear Information System (INIS)

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Baltisberger, J.H.

    1993-06-01

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

  17. Evaluation of surface nuclear magnetic resonance-estimated subsurface water content

    International Nuclear Information System (INIS)

    The technique of nuclear magnetic resonance (NMR) has found widespread use in geophysical applications for determining rock properties (e.g. porosity and permeability) and state variables (e.g. water content) or to distinguish between oil and water. NMR measurements are most commonly made in the laboratory and in boreholes. The technique of surface NMR (or magnetic resonance sounding (MRS)) also takes advantage of the NMR phenomenon, but by measuring subsurface rock properties from the surface using large coils of some tens of meters and reaching depths as much as 150 m. We give here a brief review of the current state of the art of forward modeling and inversion techniques. In laboratory NMR a calibration is used to convert measured signal amplitudes into water content. Surface NMR-measured amplitudes cannot be converted by a simple calibration. The water content is derived by comparing a measured amplitude with an amplitude calculated for a given subsurface water content model as input for a forward modeling that must account for all relevant physics. A convenient option to check whether the measured signals are reliable or the forward modeling accounts for all effects is to make measurements in a well-defined environment. Therefore, measurements on top of a frozen lake were made with the latest-generation surface NMR instruments. We found the measured amplitudes to be in agreement with the calculated amplitudes for a model of 100 % water content. Assuming then both the forward modeling and the measurement to be correct, the uncertainty of the model is calculated with only a few per cent based on the measurement uncertainty.

  18. Tunnel-diode resonator and nuclear magnetic resonance studies of low-dimensional magnetic and superconducting systems

    Energy Technology Data Exchange (ETDEWEB)

    Yeninas, Steven Lee [Iowa State Univ., Ames, IA (United States)

    2013-01-01

    This thesis emphasizes two frequency-domain techniques which uniquely employ radio frequency (RF) excitations to investigate the static and dynamic properties of novel magnetic and superconducting materials.

  19. Nuclear magnetic resonance study of charge transfer complex formation between Silver Nitrate and Benzylcyanide in Solvent Ethylene Glycol

    CERN Document Server

    Modarress, H

    2003-01-01

    The formation constant for charge transfer complexes between electron acceptor (AgNo sub 3) and electron donor benzylcyanide (C sub 6 H sub 5 -CH sub 2 -C ident to N) in solvent ethyleneglycol [(CH sub 2 OH) sub 2] has been evaluated by using the nuclear magnetic resonance chemical shifts of aromatic group of benzylcyanide measured against external references, tetramethylsilane, hexamethyldisilane and cyclohexane at 20 sup d ig sup C. The external referencing procedure eliminated the interference of internal reference in the course of complexation. The necessary bulk magnetic susceptibility corrections on the measured chemical shifts have been made. The solution nationalised and their effects on the formation constant have been considered and a new equation has been suggested to obtain the main ionic activity coefficient of AgNO sub 3 from nuclear magnetic resonance results. The mean ionic activity coefficient has been taken into account in the formation constant calculations. The results indicated that the a...

  20. Continuous-Wave Operation of a Frequency-Tunable 460-GHz Second-Harmonic Gyrotron for Enhanced Nuclear Magnetic Resonance

    OpenAIRE

    Torrezan, Antonio C.; Han, Seong-Tae; Mastovsky, Ivan; Shapiro, Michael A; Sirigiri, Jagadishwar R.; Temkin, Richard J.; Griffin, Robert G.; Barnes, Alexander B.

    2010-01-01

    The design, operation, and characterization of a continuous-wave (CW) tunable second-harmonic 460-GHz gyrotron are reported. The gyrotron is intended to be used as a submillimeter-wave source for 700-MHz nuclear magnetic resonance experiments with sensitivity enhanced by dynamic nuclear polarization. The gyrotron operates in the whispering-gallery mode TE11,2 and has generated 16 W of output power with a 13-kV 100-mA electron beam. The start oscillation current measured over a range of magnet...

  1. Nuclear magnetic resonance parameters of atomic xenon dissolved in Gay-Berne model liquid crystal.

    Science.gov (United States)

    Lintuvuori, Juho; Straka, Michal; Vaara, Juha

    2007-03-01

    We present constant-pressure Monte Carlo simulations of nuclear magnetic resonance (NMR) spectral parameters, nuclear magnetic shielding relative to the free atom as well as nuclear quadrupole coupling, for atomic xenon dissolved in a model thermotropic liquid crystal. The solvent is described by Gay-Berne (GB) molecules with parametrization kappa=4.4, kappa{'}=20.0 , and mu=nu=1 . The reduced pressure of P{*}=2.0 is used. Previous simulations of a pure GB system with this parametrization have shown that upon lowering the temperature, the model exhibits isotropic, nematic, smectic- A , and smectic- B /molecular crystal phases. We introduce spherical xenon solutes and adjust the energy and length scales of the GB-Xe interaction to those of the GB-GB interaction. This is done through first principles quantum chemical calculations carried out for a dimer of model mesogens as well as the mesogen-xenon complex. We preparametrize quantum chemically the Xe nuclear shielding and quadrupole coupling tensors when interacting with the model mesogen, and use the parametrization in a pairwise additive fashion in the analysis of the simulation. We present the temperature evolution of {129/131}Xe shielding and 131Xe quadrupole coupling in the different phases of the GB model. From the simulations, separate isotropic and anisotropic contributions to the experimentally available total shielding can be obtained. At the experimentally relevant concentration, the presence of the xenon atoms does not significantly affect the phase behavior as compared to the pure GB model. The simulations reproduce many of the characteristic experimental features of Xe NMR in real thermotropic LCs: Discontinuity in the value or trends of the shielding and quadrupole coupling at the nematic-isotropic and smectic-A-nematic phase transitions, nonlinear shift evolution in the nematic phase reflecting the behavior of the orientational order parameter, and decreasing shift in the smectic-A phase. The last

  2. Acoustic resonance frequency locked photoacoustic spectrometer

    Science.gov (United States)

    Pilgrim, Jeffrey S.; Bomse, David S.; Silver, Joel A.

    2003-09-09

    A photoacoustic spectroscopy method and apparatus for maintaining an acoustic source frequency on a sample cell resonance frequency comprising: providing an acoustic source to the sample cell, the acoustic source having a source frequency; repeatedly and continuously sweeping the source frequency across the resonance frequency at a sweep rate; and employing an odd-harmonic of the source frequency sweep rate to maintain the source frequency sweep centered on the resonance frequency.

  3. Magnetic Resonance Imaging (MRI)

    Science.gov (United States)

    ... How Can I Help a Friend Who Cuts? Magnetic Resonance Imaging (MRI) KidsHealth > For Teens > Magnetic Resonance Imaging (MRI) Print A A A Text Size What's ... Exam Safety Getting Your Results What Is MRI? Magnetic resonance imaging (MRI) is a type of safe, painless testing ...

  4. On-line monitoring of chemical reactions by using bench-top nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Danieli, E; Perlo, J; Duchateau, A L L; Verzijl, G K M; Litvinov, V M; Blümich, B; Casanova, F

    2014-10-01

    Real-time nuclear magnetic resonance (NMR) spectroscopy measurements carried out with a bench-top system installed next to the reactor inside the fume hood of the chemistry laboratory are presented. To test the system for on-line monitoring, a transfer hydrogenation reaction was studied by continuously pumping the reaction mixture from the reactor to the magnet and back in a closed loop. In addition to improving the time resolution provided by standard sampling methods, the use of such a flow setup eliminates the need for sample preparation. Owing to the progress in terms of field homogeneity and sensitivity now available with compact NMR spectrometers, small molecules dissolved at concentrations on the order of 1 mmol L(-1) can be characterized in single-scan measurements with 1 Hz resolution. Owing to the reduced field strength of compact low-field systems compared to that of conventional high-field magnets, the overlap in the spectrum of different NMR signals is a typical situation. The data processing required to obtain concentrations in the presence of signal overlap are discussed in detail, methods such as plain integration and line-fitting approaches are compared, and the accuracy of each method is determined. The kinetic rates measured for different catalytic concentrations show good agreement with those obtained with gas chromatography as a reference analytical method. Finally, as the measurements are performed under continuous flow conditions, the experimental setup and the flow parameters are optimized to maximize time resolution and signal-to-noise ratio. PMID:25111845

  5. New Methodology For Use in Rotating Field Nuclear MagneticResonance

    Energy Technology Data Exchange (ETDEWEB)

    Jachmann, Rebecca C. [Univ. of California, Berkeley, CA (United States)

    2007-05-18

    High-resolution NMR spectra of samples with anisotropicbroadening are simplified to their isotropic spectra by fast rotation ofthe sample at the magic angle 54.7 circ. This dissertation concerns thedevelopment of novel Nuclear Magnetic Resonance (NMR) methodologies basedwhich would rotate the magnetic field instead of the sample, rotatingfield NMR. It provides an over of the NMR concepts, procedures, andexperiments needed to understand the methodologies that will be used forrotating field NMR. A simple two-dimensional shimming method based onharmonic corrector rings which can provide arbitrary multiple ordershimming corrections were developed for rotating field systems, but couldbe used in shimming other systems as well. Those results demonstrate, forexample, that quadrupolar order shimming improves the linewidth by up toan order of magnitude. An additional order of magnitude reduction is inprinciple achievable by utilizing this shimming method for z-gradientcorrection and higher order xy gradients. A specialized pulse sequencefor the rotating field NMR experiment is under development. The pulsesequence allows for spinning away from the magic angle and spinningslower than the anisotropic broadening. This pulse sequence is acombination of the projected magic angle spinning (p-MAS) and magic angleturning (MAT) pulse sequences. This will be useful to rotating field NMRbecause there are limits on how fast a field can be spun and spin at themagic angle is difficult. One of the goals of this project is forrotating field NMR to be used on biological systems. The p-MAS pulsesequence was successfully tested on bovine tissue samples which suggeststhat it will be a viable methodology to use in a rotating field set up. Aside experiment on steering magnetic particle by MRI gradients was alsocarried out. Some movement was seen in these experiment, but for totalcontrol over steering further experiments would need to bedone.

  6. New Methodology For Use in Rotating Field Nuclear MagneticResonance

    Energy Technology Data Exchange (ETDEWEB)

    Jachmann, Rebecca C. [Univ. of California, Berkeley, CA (United States)

    2007-01-01

    High-resolution NMR spectra of samples with anisotropicbroadening are simplified to their isotropic spectra by fast rotation ofthe sample at the magic angle 54.7 circ. This dissertation concerns thedevelopment of novel Nuclear Magnetic Resonance (NMR) methodologies basedwhich would rotate the magnetic field instead of the sample, rotatingfield NMR. It provides an over of the NMR concepts, procedures, andexperiments needed to understand the methodologies that will be used forrotating field NMR. A simple two-dimensional shimming method based onharmonic corrector rings which can provide arbitrary multiple ordershimming corrections were developed for rotating field systems, but couldbe used in shimming other systems as well. Those results demonstrate, forexample, that quadrupolar order shimming improves the linewidth by up toan order of magnitude. An additional order of magnitude reduction is inprinciple achievable by utilizing this shimming method for z-gradientcorrection and higher order xy gradients. A specialized pulse sequencefor the rotating field NMR experiment is under development. The pulsesequence allows for spinning away from the magic angle and spinningslower than the anisotropic broadening. This pulse sequence is acombination of the projected magic angle spinning (p-MAS) and magic angleturning (MAT) pulse sequences. This will be useful to rotating field NMRbecause there are limits on how fast a field can be spun and spin at themagic angle is difficult. One of the goals of this project is forrotating field NMR to be used on biological systems. The p-MAS pulsesequence was successfully tested on bovine tissue samples which suggeststhat it will be a viable methodology to use in a rotating field set up. Aside experiment on steering magnetic particle by MRI gradients was alsocarried out. Some movement was seen in these experiment, but for totalcontrol over steering further experiments would need to bedone.

  7. Characterization of organic contaminants in porous media using nuclear magnetic resonance and spectral induced polarization measurements.

    Science.gov (United States)

    Rupert, Y. K.

    2015-12-01

    The remediation and monitoring of soils and groundwater contaminated with organic compounds is an important goal of many environmental restoration efforts. This laboratory research focuses on combining two innovative geophysical methods: nuclear magnetic resonance (NMR) and spectral induced polarization (SIP) to assess their suitability to characterize and quantify organic contaminants in porous media. Toluene, a light non-aqueous phase liquid (LNAPL), and ethoxy-nonafluorobutane, an engineered dense non-aqueous phase liquid (DNAPL), have been selected as representative organic contaminants. Low-field NMR relaxation time (T2) measurements and diffusion-relaxation (D-T2) correlation measurements, as well as low frequency SIP measurements (innovative geophysical methods: nuclear magnetic resonance (NMR) and spectral induced polarization (SIP) to assess their suitability to characterize and quantify organic contaminants in porous media. Toluene, a light non-aqueous phase liquid (LNAPL), and ethoxy-nonafluorobutane, an engineered dense non-aqueous phase liquid (DNAPL), have been selected as representative organic contaminants. Low-field NMR relaxation time (T2) measurements and diffusion-relaxation (D-T2) correlation measurements, as well as low frequency SIP measurements (<10 kHz) are performed to quantify the amount of these two organic compounds in the presence of water in three types of porous media (sands, clay, and various sand-clay mixtures). The T2, D-T2, and SIP measurements are made on water, toluene, and the synthetic DNAPL in each porous media to understand the effect of different porous media on the NMR and SIP responses in each fluid. We then plan to make measurements on water-organic mixtures with varied concentrations of organic compounds in each porous medium to resolve the NMR and SIP response of the organic contaminants from that of water and to quantify the amount of organic contaminants. Building a relationship between SIP and NMR signatures from

  8. A new method of evaluating tight gas sands pore structure from nuclear magnetic resonance (NMR) logs

    Science.gov (United States)

    Xiao, Liang; Mao, Zhi-qiang; Xie, Xiu-hong

    2016-04-01

    Tight gas sands always display such characteristics of ultra-low porosity, permeability, high irreducible water, low resistivity contrast, complicated pore structure and strong heterogeneity, these make that the conventional methods are invalid. Many effective gas bearing formations are considered as dry zones or water saturated layers, and cannot be identified and exploited. To improve tight gas sands evaluation, the best method is quantitative characterizing rock pore structure. The mercury injection capillary pressure (MICP) curves are advantageous in predicting formation pore structure. However, the MICP experimental measurements are limited due to the environment and economy factors, this leads formation pore structure cannot be consecutively evaluated. Nuclear magnetic resonance (NMR) logs are considered to be promising in evaluating rock pore structure. Generally, to consecutively quantitatively evaluate tight gas sands pore structure, the best method is constructing pseudo Pc curves from NMR logs. In this paper, based on the analysis of lab experimental results for 20 core samples, which were drilled from tight gas sandstone reservoirs of Sichuan basin, and simultaneously applied for lab MICP and NMR measurements, the relationships of piecewise power function between nuclear magnetic resonance (NMR) transverse relaxation T2 time and pore-throat radius Rc are established. A novel method, which is used to transform NMR reverse cumulative curve as pseudo capillary pressure (Pc) curve is proposed, and the corresponding model is established based on formation classification. By using this model, formation pseudo Pc curves can be consecutively synthesized. The pore throat radius distribution, and pore structure evaluation parameters, such as the average pore throat radius (Rm), the threshold pressure (Pd), the maximum pore throat radius (Rmax) and so on, can also be precisely extracted. After this method is extended into field applications, several tight gas

  9. Probing beer aging chemistry by nuclear magnetic resonance and multivariate analysis

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, J.A. [CICECO-Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro (Portugal); Barros, A.S. [QOPNA-Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro (Portugal); Carvalho, B.; Brandao, T. [UNICER, Bebidas de Portugal, Leca do Balio, 4466-955, S. Mamede de Infesta (Portugal); Gil, Ana M., E-mail: agil@ua.pt [CICECO-Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro (Portugal)

    2011-09-30

    Graphical abstract: The use of nuclear magnetic resonance (NMR) metabonomics for monitoring the chemical changes occurring in beer exposed to forced aging (at 45 deg. C for up to 18 days) is described. Both principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) were applied to the NMR spectra of beer recorded as a function of aging and an aging trend was observed. Inspection of PLS-DA loadings and peak integration revealed the importance of well known markers (e.g. 5-HMF) as well as of other compounds: amino acids, higher alcohols, organic acids, dextrins and some still unassigned spin systems. 2D correlation analysis enabled relevant compound variations to be confirmed and inter-compound correlations to be assessed, thus offering improved insight into the chemical aspects of beer aging. Highlights: {center_dot} Use of NMR metabonomics for monitoring the chemical changes occurring in beer exposed to forced aging. {center_dot} Compositional variations evaluated by principal component analysis and partial least squares-discriminant analysis. {center_dot} Results reveal importance of known markers and other compounds: amino and organic acids, higher alcohols, dextrins. {center_dot} 2D correlation analysis reveals inter-compound relationships, offering insight into beer aging chemistry. - Abstract: This paper describes the use of nuclear magnetic resonance (NMR) spectroscopy, in tandem with multivariate analysis (MVA), for monitoring the chemical changes occurring in a lager beer exposed to forced aging (at 45 deg. C for up to 18 days). To evaluate the resulting compositional variations, both principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) were applied to the NMR spectra of beer recorded as a function of aging and a clear aging trend was observed. Inspection of PLS-DA loadings and peak integration enabled the changing compounds to be identified, revealing the importance of well known

  10. Prospects for Sub-Micron Solid State Nuclear Magnetic Resonance Imaging with Low-Temperature Dynamic Nuclear Polarization

    Science.gov (United States)

    Thurber, Kent R.; Tycko, Robert

    2010-01-01

    Summary We evaluate the feasibility of 1H nuclear magnetic resonance (NMR) imaging with sub-micron voxel dimensions using a combination of low temperatures and dynamic nuclear polarization (DNP). Experiments are performed on nitroxide-doped glycerol/water at 9.4 T and temperatures below 40 K, using a 30 mW tunable microwave source for DNP. With DNP at 7 K, a 0.5 µl sample yields a 1H NMR signal-to-noise ratio of 770 in two scans with pulsed spin-lock detection and after 80 db signal attenuation. With reasonable extrapolations, we infer that 1H NMR signals from 1 µm3 voxel volumes should be readily detectable, and voxels as small as 0.03 µm3 may eventually be detectable. Through homonuclear decoupling with a frequency-switched Lee-Goldburg spin echo technique, we obtain 830 Hz 1H NMR linewidths at low temperatures, implying that pulsed field gradients equal to 0.4 G/d or less would be required during spatial encoding dimensions of an imaging sequence, where d is the resolution in each dimension. PMID:20458431

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

    Science.gov (United States)

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

    2013-01-01

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

  12. Nanocrystalline tin oxide: Possible origin of its weak ferromagnetism deduced from nuclear magnetic resonance and X-ray photoelectron spectroscopies

    Science.gov (United States)

    Zhang, Feng; Lian, Yadong; Gu, Min; Yu, Ji; Tang, Tong B.; Sun, Jian; Zhang, Weiyi

    2016-09-01

    Nanocrystalline tin oxide was fabricated, with molar ratio O/Sn determined as 1.40, 1.55, 1.79, 1.92 and 1.96 from X-ray photoelectron spectroscopy. They displayed weak ferromagnetism, the sample with O/Sn = 1.55 showing the maximum saturation magnetization reaching almost 8 ×10-3 emu /g at room temperature. 119Sn nuclear magnetic resonance allowed the deduction, based on four resolved resonance peaks, that their Sn ions had four possible coordination numbers, namely 3, 4, 5 and 6. The relative fraction of 4-coordinated cations was the one found to bear positive linear correlation with saturation magnetization of the sample. It is surmised that magnetism in tin oxide results mainly from 4-coordination Sn ions, of valance about +3, as estimated from the binding energies of their 3d photoelectron emission levels.

  13. Energy Moment Method Applied to Nuclear Quadrupole Splitting of Nuclear Magnetic Resonance Lines

    DEFF Research Database (Denmark)

    Frank, V

    1962-01-01

    Expressions giving the sum of the energy values, raised to the second and third power, for a nucleus interacting with a static magnetic field and a static electric field gradient are derived. Several applications of this method for obtaining the values of the components of the electric field...

  14. Theory of damped quantum rotation in nuclear magnetic resonance spectra. III. Nuclear permutation symmetry of the line shape equation.

    Science.gov (United States)

    Szymański, S

    2009-12-28

    The damped quantum rotation (DQR) theory describes manifestations in nuclear magnetic resonance spectra of the coherent and stochastic dynamics of N-fold molecular rotors composed of indistinguishable particles. The standard jump model is only a limiting case of the DQR approach; outside this limit, the stochastic motions of such rotors have no kinematic description. In this paper, completing the previous two of this series, consequences of nuclear permutation symmetry for the properties of the DQR line shape equation are considered. The systems addressed are planar rotors, such as aromatic hydrocarbons' rings, occurring inside of molecular crystals oriented in the magnetic field. Under such conditions, oddfold rotors can have nontrivial permutation symmetries only for peculiar orientations while evenfold ones always retain their intrinsic symmetry element, which is rotation by 180 degrees about the N-fold axis; in specific orientations the latter can gain two additional symmetry elements. It is shown that the symmetry selection rules applicable to the classical rate processes in fluids, once recognized as having two diverse aspects, macroscopic and microscopic, are also rigorously valid for the DQR processes in the solid state. However, formal justification of these rules is different because the DQR equation is based on the Pauli principle, which is ignored in the jump model. For objects like the benzene ring, exploitation of these rules in simulations of spectra using the DQR equation can be of critical significance for the feasibility of the calculations. Examples of such calculations for the proton system of the benzene ring in a general orientation are provided. It is also shown that, because of the intrinsic symmetries of the evenfold rotors, many of the DQR processes, which such rotors can undergo, are unobservable in NMR spectra. PMID:20059076

  15. Susceptibility effects in nuclear magnetic resonance imaging; Suszeptibilitaetseffekte in der Kernspinresonanzbildgebung

    Energy Technology Data Exchange (ETDEWEB)

    Ziener, Christian Herbert

    2008-07-01

    The properties of dephasing and the resulting relaxation of the magnetization are the basic principle on which all magnetic resonance imaging methods are based. The signal obtained from the gyrating spins is essentially determined by the properties of the considered tissue. Especially the susceptibility differences caused by magnetized materials (for example, deoxygenated blood, BOLD-effect) or magnetic nanoparticles are becoming more important for biomedical imaging. In the present work, the influence of such field inhomogeneities on the NMR-signal is analyzed. (orig.)

  16. Advances in magnetic resonance 2

    CERN Document Server

    Waugh, John S

    2013-01-01

    Advances in Magnetic Resonance, Volume 2, features a mixture of experimental and theoretical contributions. The book contains four chapters and begins with an ambitious and general treatment of the problem of signal-to-noise ratio in magnetic resonance. This is followed by separate chapters on the interpretation of nuclear relaxation in fluids, with special reference to hydrogen; and various aspects of molecular theory of importance in NMR.

  17. Characterization of proton exchange membrane materials for fuel cells by solid state nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Zueqian [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    Solid-state nuclear magnetic resonance (NMR) has been used to explore the nanometer-scale structure of Nafion, the widely used fuel cell membrane, and its composites. We have shown that solid-state NMR can characterize chemical structure and composition, domain size and morphology, internuclear distances, molecular dynamics, etc. The newly-developed water channel model of Nafion has been confirmed, and important characteristic length-scales established. Nafion-based organic and inorganic composites with special properties have also been characterized and their structures elucidated. The morphology of Nafion varies with hydration level, and is reflected in the changes in surface-to-volume (S/V) ratio of the polymer obtained by small-angle X-ray scattering (SAXS). The S/V ratios of different Nafion models have been evaluated numerically. It has been found that only the water channel model gives the measured S/V ratios in the normal hydration range of a working fuel cell, while dispersed water molecules and polymer ribbons account for the structures at low and high hydration levels, respectively.

  18. Fricke dosimetry analysis by nuclear magnetic resonance: a comparative study with traditional methods

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Barbara D.L.; Araujo, Barbara C.R.; Sebastiao, Rita C.O., E-mail: ritacos@ufmg.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Instituto de Ciencias Exatas. Departamento de Quimica; Virtuoso, Luciano S. [Universidade Federal de Alfenas (UNIFAL), Alfenas, MG (Brazil). Instituto de Quimica; Meira-Belo, Luiz C. [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)

    2013-07-01

    Dosimetric systems are chosen according to its particular characteristics, monitoring interval and dose detection threshold. This present work proposed comparative study between Fricke dosimeter traditional with the system using polyethylene oxide (PEO) polymer instead the animal gelatin, and Nuclear Magnetic Resonance spin echo experiments. The interaction between ferrous and ferric ions with hydrogen contained in the base polymer will be investigated through the proton relaxation time distribution, T2, and the PEO as well as having a low commercial value, has a cleaner matrix, which will provide a more informative spectra. The ultraviolet spectra were also analyzed to compare the results. The process of obtaining the microscopic property T2 from the macroscopic spin echo NMR experiments is a problem classified as an ill-conditioned inverse problem. Usually, robust techniques are required to solve this kind of problem and the Hopfield neural network was chosen in this work. The T2 showed a correlation with the applied dose. As the dose is increased, the polymer protons interact more strongly with ferric ion and consequently its relaxation time decreases. The T2 distribution curve modeling assumes a multi-exponential decay in the problem, which represents a more precise theory compared with a T2 average value determination. The neural network approach was numerically stable and robust with respect to deviations in the initial conditions or experimental noises in the echo spin data and a numeric analysis was also performed. The obtained results stated this methodology as a promising tool in dosimetric systems studies. (author)

  19. H-1 Nuclear Magnetic Resonance Metabolomics Analysis Identifies Novel Urinary Biomarkers for Lung Function

    International Nuclear Information System (INIS)

    Chronic obstructive pulmonary disease (COPD), characterized by chronic airflow limitation, is a serious and growing public health concern. The major environmental risk factor for COPD is tobacco smoking, but the biological mechanisms underlying COPD are not well understood. In this study, we used proton nuclear magnetic resonance (1H-NMR) spectroscopy to identify and quantify metabolites associated with lung function in COPD. Plasma and urine were collected from 197 adults with COPD and from 195 adults without COPD. Samples were assayed using a 600 MHz NMR spectrometer, and the resulting spectra were analyzed against quantitative spirometric measures of lung function. After correcting for false discoveries and adjusting for covariates (sex, age, smoking) several spectral regions in urine were found to be significantly associated with baseline lung function. These regions correspond to the metabolites trigonelline, hippurate and formate. Concentrations of each metabolite, standardized to urinary creatinine, were associated with baseline lung function (minimum p-value = 0.0002 for trigonelline). No significant associations were found with plasma metabolites. Two of the three urinary metabolites positively associated with baseline lung function, i.e. hippurate and formate, are often related to gut microflora. This suggests that the microbiome composition is variable between individuals with different lung function. Alternatively, the nature and origins of all three associated metabolites may reflect lifestyle differences affecting overall health. Our results will require replication and validation, but demonstrate the utility of NMR metabolomics as a screening tool for identifying novel biomarkers of lung disease or disease risk.

  20. Structure and aqueous reactivity of silicate glasses high-resolution nuclear magnetic resonance contribution

    International Nuclear Information System (INIS)

    This research aims at getting a better understanding of the relations which may exist between the chemical composition of the oxide silicate glasses, the structure and the aqueous reactivity. We study the cations present in most glasses, more particularly the radioactive waste glasses, and those which are more liable to bring information both about structure and reactivity. Among the experimental methods used, the nuclear magnetic resonance of multi-quantum magic-angle spinning (NMR MQ-MAS) has been carried out for the structural characterization of the pristine and altered glasses. In the first part, we discuss the possibility of deducting a type of information from a quantitative approach of the 23Na, 27Al and 17O NMR MQ-MAS. In the second part, we apply this method to glasses containing between two and six oxides. The vitreous compositions studied permit to focus our attention on the influence of sodium, aluminum and calcium on their local structural environment. We point out an evolution of the distributions of bond distances and angles in relation to the glass chemical composition. We show the strong potentiality of the 17O used to probe the pristine and altered glasses. The influence of the different cations studied on the rate of glass dissolution is debated from the alterations made on short periods. On the basis of all these data, we discuss the importance of the structural effect which may influence the kinetic phenomena of alteration. (author)

  1. Rapid detection of peanut oil adulteration using low-field nuclear magnetic resonance and chemometrics.

    Science.gov (United States)

    Zhu, Wenran; Wang, Xin; Chen, Lihua

    2017-02-01

    (1)H low-field nuclear magnetic resonance (LF-NMR) and chemometrics were employed to screen the quality changes of peanut oil (PEO) adulterated with soybean oil (SO), rapeseed oil (RO), or palm oil (PAO) in ratios ranging from 0% to 100%. Significant differences in the LF-NMR parameters, single component relaxation time (T2W), and peak area proportion (S21 and S22), were detected between pure and adulterated peanut oil samples. As the ratio of adulteration increased, the T2W, S21, and S22 changed linearly; however, the multicomponent relaxation times (T21 and T22) changed slightly. The established principal component analysis or discriminant analysis models can correctly differentiate authentic PEO from fake and adulterated samples with at least 10% of SO, RO, or PAO. The binary blends of oils can be clearly classified by discriminant analysis when the adulteration ratio is above 30%, illustrating possible applications in screening the oil species in peanut oil blends. PMID:27596419

  2. Electronic properties of Cs-intercalated single-walled carbon nanotubes derived from nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Abou-Hamad, E; Goze-Bac, C; Aznar, R [nanoNMRI group, UMR5587, Universite Montpellier II, Place E Bataillon, 34095 Montpellier Cedex 5 (France); Nitze, F; Waagberg, T [Department of Physics, Umeaa University, 90187 Umeaa (Sweden); Schmid, M; Mehring, M, E-mail: Thomas.wagberg@physics.umu.se [Physikalisches Institut, Universitaet Stuttgart, D-70569 Stuttgart (Germany)

    2011-05-15

    We report on the electronic properties of Cs-intercalated single-walled carbon nanotubes (SWNTs). A detailed analysis of the {sup 13}C and {sup 133}Cs nuclear magnetic resonance (NMR) spectra reveals an increased metallization of the pristine SWNTs under Cs intercalation. The 'metallization' of Cs{sub x}C materials where x=0-0.144 is evidenced from the increased local electronic density of states (DOS) n(E{sub F}) at the Fermi level of the SWNTs as determined from spin-lattice relaxation measurements. In particular, there are two distinct electronic phases called {alpha} and {beta} and the transition between these occurs around x=0.05. The electronic DOS at the Fermi level increases monotonically at low intercalation levels x<0.05 ({alpha}-phase), whereas it reaches a plateau in the range 0.05{<=}x{<=}0.143 at high intercalation levels ({beta}-phase). The new {beta}-phase is accompanied by a hybridization of Cs(6s) orbitals with C(sp{sup 2}) orbitals of the SWNTs. In both phases, two types of metallic nanotubes are found with a low and a high local n(E{sub F}), corresponding to different local electronic band structures of the SWNTs.

  3. Determination of scutellarin in breviscapine preparations using quantitative proton nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Zhenzuo Jiang

    2016-04-01

    Full Text Available The objective of the present study was to develop the selection criteria of proton signals for the determination of scutellarin using quantitative nuclear magnetic resonance (qNMR, which is the main bioactive compound in breviscapine preparations for the treatment of cerebrovascular disease. The methyl singlet signal of 3-(trimethylsilylpropionic-2,2,3,3-d4 acid sodium salt was selected as the internal standard for quantification. The molar concentration of scutellarin was determined by employing different proton signals. To obtain optimum proton signals for the quantification, different combinations of proton signals were investigated according to two selection criteria: the recovery rate of qNMR method and quantitative results compared with those obtained with ultra-performance liquid chromatography. As a result, the chemical shift of H-2′ and H-6′ at δ 7.88 was demonstrated as the most suitable signal with excellent linearity range, precision, and recovery for determining scutellarin in breviscapine preparations from different manufacturers, batch numbers, and dosage forms. Hierarchical cluster analysis was employed to evaluate the determination results. The results demonstrated that the selection criteria of proton signals established in this work were reliable for the qNMR study of scutellarin in breviscapine preparations.

  4. Discrimination of hexabromocyclododecane from new polymeric brominated flame retardant in polystyrene foam by nuclear magnetic resonance.

    Science.gov (United States)

    Jeannerat, Damien; Pupier, Marion; Schweizer, Sébastien; Mitrev, Yavor Nikolaev; Favreau, Philippe; Kohler, Marcel

    2016-02-01

    Hexabromocyclododecane (HBCDD) is a brominated flame retardant (BFR) and major additive to polystyrene foam thermal insulation that has recently been listed as a persistent organic pollutant by the Stockholm Convention. During a 2013/2014 field analytical survey, we measured HBCDD content ranging from 0.2 to 2.4% by weight in 98 polystyrene samples. Liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) analyses indicated that expandable (EPS) and extruded (XPS) polystyrene foams significantly differed in the α/γ HBCDD isomer ratio, with a majority of α and γ isomers in XPS and EPS, respectively. Interestingly, this technique indicated that some recent materials did not contain HBCDD, but demonstrated bromine content when analysed with X-ray fluorescence (XRF). Further investigation by Nuclear Magnetic Resonance (NMR) was able to discriminate between the BFRs present. In addition to confirming the absence or presence of HBCDD in polystyrene samples, high-field NMR spectroscopy provided evidence of the use of brominated butadiene styrene (BBS) as copolymer in the production of polystyrene. Use of this alternative flame retardant is expected to cause fewer health and environmental concerns. Our results highlight a trend towards the use of copolymerized BFRs as an alternative to HBCDD in polystyrene foam boards. In addition to providing a rapid NMR method to identify polymeric BFR, our analytical approach is a simple method to discriminate between flame-retardants in polystyrene foam insulating materials.

  5. Read-only-memory-based quantum computation: Experimental explorations using nuclear magnetic resonance and future prospects

    International Nuclear Information System (INIS)

    Read-only-memory-based (ROM-based) quantum computation (QC) is an alternative to oracle-based QC. It has the advantages of being less 'magical', and being more suited to implementing space-efficient computation (i.e., computation using the minimum number of writable qubits). Here we consider a number of small (one- and two-qubit) quantum algorithms illustrating different aspects of ROM-based QC. They are: (a) a one-qubit algorithm to solve the Deutsch problem; (b) a one-qubit binary multiplication algorithm; (c) a two-qubit controlled binary multiplication algorithm; and (d) a two-qubit ROM-based version of the Deutsch-Jozsa algorithm. For each algorithm we present experimental verification using nuclear magnetic resonance ensemble QC. The average fidelities for the implementation were in the ranges 0.9-0.97 for the one-qubit algorithms, and 0.84-0.94 for the two-qubit algorithms. We conclude with a discussion of future prospects for ROM-based quantum computation. We propose a four-qubit algorithm, using Grover's iterate, for solving a miniature 'real-world' problem relating to the lengths of paths in a network

  6. Investigation of reinforcement of the modified carbon black from wasted tires by nuclear magnetic resonance

    Institute of Scientific and Technical Information of China (English)

    ZHOU Jie; YANG Yong-rong; REN Xiao-hong; STAPF Siegfried

    2006-01-01

    Pyrolysis has the potential of transforming waste into recyclable products. Pyrolytic carbon black (PCB) is one of the most important products from the pyrolysis of used tires. Techniques for surface modifications of PCB have been developed. One of the most significant applications for modified PCB is to reinforce the rubber matrix to obtain high added values. The transverse relaxation and the chain dynamics of vulcanized rubber networks with PCB and modified PCB were studied and compared with those of the commercial carbon blacks using selective 1H transverse relaxation (T2) experiments and dipolar correlation effect (DCE) experiments on the stimulated echo. Demineralization and coupling agent modification not only intensified the interactions between the modified PCB and the neighboring polyisoprene chains, but also increased the chemical cross-link density of the vulcanized rubber with modified PCB. The mechanical testing of the rubbers with different kinds of carbon blacks showed that the maximum strain of the rubber with modified PCB was improved greatly. The mechanical testing results confirmed the conclusion obtained by nuclear magnetic resonance (NMR). PCB modified by the demineralization and NDZ-105 titanate coupling agent could be used to replace the commercial semi-reinforcing carbon black.

  7. Clinical application of sodium-23 nuclear magnetic resonance for measurement of red cell sodium concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Kojima, S.; Kanashiro, M.; Hayashi, F. (National Cardiovascular Center, Suita, Osaka (Japan)) (and others)

    1989-01-01

    Red cell sodium (RBC-Na{sup +}) concentrations were measured using {sup 23}Na nuclear magnetic resonance (NMR), without the destruction of erythrocyte membranes. Subjects were categorized into four groups: 20 normotensive subjects (NT group), 20 age-matched essential hypertensive patients (EHT group), 10 patients with primary aldosteronism (PA group), and 18 patients treated with digoxin (DIG group). Although RBC-Na{sup +} concentrations were similar between the NT group (6.14{plus minus}0.80 (Mean{plus minus}SD) mmol/1) and the EHT group (5.92{plus minus}0.99), they were significantly higher in both the PA group (7.55{plus minus}0.88, p<0.001) and the DIG group (8.43{plus minus}3.81, p<0.02). In the PA group, RBC-Na{sup +} concentrations decreased significantly after resection of the adenoma, and there was an inverse relationship between serum potassium and RBC-Na{sup +} concentrations (r=-0.65, p<0.01). In the DIG group, RBC-Na{sup +} concentrations tended to increase in proportion to serum digoxin levels (r=0.53, p<0.05). These results support the view that RBC-Na{sup +} concentrations are determined primarily by Na{sup +}/K{sup +}-pump activity of red cell membranes. This study showed also that Na{sup +} NMR is a useful method determining intracellular Na{sup +} concentrations. (author).

  8. H-1 Nuclear Magnetic Resonance Metabolomics Analysis Identifies Novel Urinary Biomarkers for Lung Function

    Energy Technology Data Exchange (ETDEWEB)

    MCClay, Joseph L.; Adkins, Daniel E.; Isern, Nancy G.; O' Connell, Thomas M.; Wooten, Jan B.; Zedler, Barbara K.; Dasika, Madhukar S.; Webb, B. T.; Webb-Robertson, Bobbie-Jo M.; Pounds, Joel G.; Murrelle, Edward L.; Leppert, Mark F.; van den Oord, Edwin J.

    2010-06-04

    Chronic obstructive pulmonary disease (COPD), characterized by chronic airflow limitation, is a serious and growing public health concern. The major environmental risk factor for COPD is tobacco smoking, but the biological mechanisms underlying COPD are not well understood. In this study, we used proton nuclear magnetic resonance (1H-NMR) spectroscopy to identify and quantify metabolites associated with lung function in COPD. Plasma and urine were collected from 197 adults with COPD and from 195 adults without COPD. Samples were assayed using a 600 MHz NMR spectrometer, and the resulting spectra were analyzed against quantitative spirometric measures of lung function. After correcting for false discoveries and adjusting for covariates (sex, age, smoking) several spectral regions in urine were found to be significantly associated with baseline lung function. These regions correspond to the metabolites trigonelline, hippurate and formate. Concentrations of each metabolite, standardized to urinary creatinine, were associated with baseline lung function (minimum p-value = 0.0002 for trigonelline). No significant associations were found with plasma metabolites. Two of the three urinary metabolites positively associated with baseline lung function, i.e. hippurate and formate, are often related to gut microflora. This suggests that the microbiome composition is variable between individuals with different lung function. Alternatively, the nature and origins of all three associated metabolites may reflect lifestyle differences affecting overall health. Our results will require replication and validation, but demonstrate the utility of NMR metabolomics as a screening tool for identifying novel biomarkers of lung disease or disease risk.

  9. (1)H nuclear magnetic resonance-based metabolomics study of earthworm Perionyx excavatus in vermifiltration process.

    Science.gov (United States)

    Wang, Lei; Huang, Xulei; Laserna, Anna Karen Carrasco; Li, Sam Fong Yau

    2016-10-01

    In this study, (1)H nuclear magnetic resonance (NMR)-based metabolomics approach was used to characterize the metabolic response of the earthworm Perionyx excavatus in continuous vermifiltration for two months under hydraulic loading rates of 1m(3)m(-2)d(-1) (VF1) and 1.5m(3)m(-2)d(-1) (VF1.5). Both VF1 and VF1.5 showed higher removal of chemical oxygen demand and total nitrogen than the biofilter without earthworms. Principal component analysis of the NMR spectra of earthworm metabolites showed significant separations between those not subjected to wastewater filtration (control) and VF1 or VF1.5. Temporal variations of earthworm biomass, and the identified metabolites that are significantly different between control, VF1 and VF1.5 revealed that worms underwent increasing metabolic activity within 20days in VF1 and 14days in VF1.5, then decreasing metabolic activity. The use of NMR-based metabolomics in monitoring earthworm metabolism was demonstrated to be a novel approach in studying engineered vermifiltration systems. PMID:27469092

  10. 31P-nuclear magnetic resonance studies of chronic myocardial ischemia in the Yucatan micropig.

    Science.gov (United States)

    Rath, D P; Bailey, M; Zhang, H; Jiang, Z; Abduljalil, A M; Weisbrode, S; Hamlin, R L; Robitaille, P M

    1995-01-01

    In this work, an x-irradiation/high fat/high cholesterol diet-induced atherogenic model was invoked to examine the effects of severe diffuse atherosclerosis on myocardial metabolism in the in vivo porcine heart. This model was studied using spatially localized 31P-nuclear magnetic resonance (NMR) to monitor pH and the levels of inorganic phosphate, phosphomonoesters, creatine phosphate, and adenosine triphosphate as a function of workload transmurally in control swine and in animals suffering from chronic ischemic heart disease. These preliminary studies revealed that the development of severe atherosclerosis and the accompanying chronically diseased state produce changes in high energy phosphates and that increases in rate pressure products result in demonstrable signs of ischemia in the myocardium which span the entire left ventricular wall. Ischemic changes include a global increase in inorganic phosphate and corresponding decreases in creatine phosphate, ATP, and pH. Importantly, changes in intracellular pH are noted with even the slightest increase in workload suggesting that these diseased hearts display elevated glycolytic activity. By challenging these animals with increased cardiac workload, we directly visualize how the chronically compromised heart responds to severe oxygen challenges in a clinically relevant model of this situation. PMID:7814609

  11. First experimental demonstration of an exact quantum search algorithm in nuclear magnetic resonance system

    Science.gov (United States)

    Liu, Yang; Zhang, FeiHao

    2015-07-01

    The success probability of searching an objective item from an unsorted database using standard Grover's algorithm is usually not exactly 1. It is exactly 1 only when it is used to find the target state from a database with four items. Exact search is always important in theoretical and practical applications. The failure rate of Grover's algorithm becomes big when the database is small, and this hinders the use of the commonly used divide-and-verify strategy. Even for large database, the failure rate becomes considerably large when there are many marked items. This has put a serious limitation on the usability of the Grover's algorithm. An important improved version of the Grover's algorithm, also known as the improved Grover algorithm, solves this problem. The improved Grover algorithm searches arbitrary number of target states from an unsorted database with full success rate. Here, we give the first experimental realization of the improved Grover algorithm, which finds a marked state with certainty, in a nuclear magnetic resonance system. The optimal control theory is used to obtain an optimized control sequence. The experimental results agree well with the theoretical predictions.

  12. Dynamics of asymmetric binary glass formers. II. Results from nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bock, D.; Kahlau, R.; Pötzschner, B.; Körber, T.; Wagner, E.; Rössler, E. A., E-mail: ernst.roessler@uni-bayreuth.de [Experimentalphysik II, Universität Bayreuth, 95440 Bayreuth (Germany)

    2014-03-07

    Various {sup 2}H and {sup 31}P nuclear magnetic resonance (NMR) spectroscopy techniques are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene-d{sub 3} (PS) over the full concentration range. The results are quantitatively compared to those of a dielectric spectroscopy (DS) study on the same system previously published [R. Kahlau, D. Bock, B. Schmidtke, and E. A. Rössler, J. Chem. Phys. 140, 044509 (2014)]. While the PS dynamics does not significantly change in the mixtures compared to that of neat PS, two fractions of TPP molecules are identified, one joining the glass transition of PS in the mixture (α{sub 1}-process), the second reorienting isotropically (α{sub 2}-process) even in the rigid matrix of PS, although at low concentration resembling a secondary process regarding its manifestation in the DS spectra. Pronounced dynamical heterogeneities are found for the TPP α{sub 2}-process, showing up in extremely stretched, quasi-logarithmic stimulated echo decays. While the time window of NMR is insufficient for recording the full correlation functions, DS results, covering a larger dynamical range, provide a satisfactory interpolation of the NMR data. Two-dimensional {sup 31}P NMR spectra prove exchange within the broadly distributed α{sub 2}-process. As demonstrated by {sup 2}H NMR, the PS matrix reflects the faster α{sub 2}-process of TPP by performing a spatially highly hindered motion on the same timescale.

  13. Rapid detection of peanut oil adulteration using low-field nuclear magnetic resonance and chemometrics.

    Science.gov (United States)

    Zhu, Wenran; Wang, Xin; Chen, Lihua

    2017-02-01

    (1)H low-field nuclear magnetic resonance (LF-NMR) and chemometrics were employed to screen the quality changes of peanut oil (PEO) adulterated with soybean oil (SO), rapeseed oil (RO), or palm oil (PAO) in ratios ranging from 0% to 100%. Significant differences in the LF-NMR parameters, single component relaxation time (T2W), and peak area proportion (S21 and S22), were detected between pure and adulterated peanut oil samples. As the ratio of adulteration increased, the T2W, S21, and S22 changed linearly; however, the multicomponent relaxation times (T21 and T22) changed slightly. The established principal component analysis or discriminant analysis models can correctly differentiate authentic PEO from fake and adulterated samples with at least 10% of SO, RO, or PAO. The binary blends of oils can be clearly classified by discriminant analysis when the adulteration ratio is above 30%, illustrating possible applications in screening the oil species in peanut oil blends.

  14. Empirical compensation function for eddy current effects in pulsed field gradient nuclear magnetic resonance experiments.

    Science.gov (United States)

    Zhu, X X; Macdonald, P M

    1995-05-01

    An empirical compensation function for the correction of eddy current effects in the Stejskal-Tanner pulsed-gradient spin-echo (PGSE) nuclear magnetic resonance (NMR) experiments has been established. Eddy currents may arise as a result of the application of sharp and strong gradient pulses and may cause severe distortion of the NMR signals. In this method, the length of one gradient pulse is altered to compensate for the eddy current effects. The compensation is considered to be ideal when the position and the phase of the spin-echo maximum obtained from an aqueous solution of poly(ethylene glycol) (PEG) is the same in the presence and absence of a gradient pulse in the PGSE pulse sequence. We first characterized the functional dependence of the length of the required compensation on the three principal variables in the PGSE experiment: the gradient strength, the duration of the gradient pulse, and the interval between the two gradient pulses. Subsequently, we derived a model which successfully describes the general relationship between these variables and the size of the induced eddy current. The parameters extracted from fitting the model to the experimental compensation data may be used to predict the correct compensation for any combination of the three principal variables.

  15. Nuclear magnetic resonance study of PEO-chitosan based polymer electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Donoso, J.P.; Lopes, L.V.S. [IFSC, Universidade de Sao Paulo, PO Box 369, 13560-970 Sao Carlos-SP (Brazil); Pawlicka, A. [IQSC, Universidade de Sao Paulo, PO Box 780, 13560-970 Sao Carlos-SP (Brazil); Fuentes, S. [Department of Physics, Faculty of Sciences, Universidad Catolica del Norte, Angamos 0610, Antofagasta (Chile); Retuert, P.J. [Department of Material Sciences, Faculty of Mathematical and Physical Sciences, Universidad de Chile, Tupper 2069, Santiago (Chile); Gonzalez, G. [Department of Chemistry, Faculty of Sciences, Universidad de Chile, Casilla 653, Santiago (Chile)

    2007-12-31

    This work investigates lithium dynamics in a series of polymer electrolytes formed by poly(ethylene oxide) PEO, chitosan (QO), amino propil siloxane (pAPS) and lithium perchlorate by means of nuclear magnetic resonance techniques. Lithium ({sup 7}Li) lineshapes and spin-lattice relaxation times were measured as a function of temperature. The results suggest that the chemical functionality of QO, particularly the amine group, participate in coordinating lithium ion in the composites. The competition between QO and PEO for lithium ions is evident in the binary system. In the ternary electrolyte containing PEO, QO and pAPS, it is observed that the lithium ions can competitively interact with the two polymers. The heterogeneity, at a local microscopic scale, is revealed by a temperature-dependent equilibrium of lithium ion concentration between at least two different microphases; on 37dominated by the interactions with chitosan and the other one with polyether. The data of the ternary electrolyte was analysed by assuming two lithium dynamics, the first one associated to the motion of the lithium ion dissolved in PEO and the second one associated to those complexed by the chitosan. (author)

  16. Discrimination of hexabromocyclododecane from new polymeric brominated flame retardant in polystyrene foam by nuclear magnetic resonance.

    Science.gov (United States)

    Jeannerat, Damien; Pupier, Marion; Schweizer, Sébastien; Mitrev, Yavor Nikolaev; Favreau, Philippe; Kohler, Marcel

    2016-02-01

    Hexabromocyclododecane (HBCDD) is a brominated flame retardant (BFR) and major additive to polystyrene foam thermal insulation that has recently been listed as a persistent organic pollutant by the Stockholm Convention. During a 2013/2014 field analytical survey, we measured HBCDD content ranging from 0.2 to 2.4% by weight in 98 polystyrene samples. Liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS) analyses indicated that expandable (EPS) and extruded (XPS) polystyrene foams significantly differed in the α/γ HBCDD isomer ratio, with a majority of α and γ isomers in XPS and EPS, respectively. Interestingly, this technique indicated that some recent materials did not contain HBCDD, but demonstrated bromine content when analysed with X-ray fluorescence (XRF). Further investigation by Nuclear Magnetic Resonance (NMR) was able to discriminate between the BFRs present. In addition to confirming the absence or presence of HBCDD in polystyrene samples, high-field NMR spectroscopy provided evidence of the use of brominated butadiene styrene (BBS) as copolymer in the production of polystyrene. Use of this alternative flame retardant is expected to cause fewer health and environmental concerns. Our results highlight a trend towards the use of copolymerized BFRs as an alternative to HBCDD in polystyrene foam boards. In addition to providing a rapid NMR method to identify polymeric BFR, our analytical approach is a simple method to discriminate between flame-retardants in polystyrene foam insulating materials. PMID:26492426

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

    International Nuclear Information System (INIS)

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

  18. Direct nuclear magnetic resonance observation of odorant binding to mouse odorant receptor MOR244-3.

    Science.gov (United States)

    Burger, Jessica L; Jeerage, Kavita M; Bruno, Thomas J

    2016-06-01

    Mammals are able to perceive and differentiate a great number of structurally diverse odorants through the odorant's interaction with odorant receptors (ORs), proteins found within the cell membrane of olfactory sensory neurons. The natural gas industry has used human olfactory sensitivity to sulfur compounds (thiols, sulfides, etc.) to increase the safety of fuel gas transport, storage, and use through the odorization of this product. In the United States, mixtures of sulfur compounds are used, but the major constituent of odorant packages is 2-methylpropane-2-thiol, also known as tert-butyl mercaptan. It has been fundamentally challenging to understand olfaction and odorization due to the low affinity of odorous ligands to the ORs and the difficulty in expressing a sufficient number of OR proteins. Here, we directly observed the binding of tert-butyl mercaptan and another odiferous compound, cis-cyclooctene, to mouse OR MOR244-3 on living cells by saturation transfer difference (STD) nuclear magnetic resonance (NMR) spectroscopy. This effort lays the groundwork for resolving molecular mechanisms responsible for ligand binding and resulting signaling, which in turn will lead to a clearer understanding of odorant recognition and competition.

  19. Molecular dynamics and composition of crude oil by low-field nuclear magnetic resonance.

    Science.gov (United States)

    Jia, Zijian; Xiao, Lizhi; Wang, Zhizhan; Liao, Guangzhi; Zhang, Yan; Liang, Can

    2016-08-01

    Nuclear magnetic resonance (NMR) techniques are widely used to identify pure substances and probe protein dynamics. Oil is a complex mixture composed of hydrocarbons, which have a wide range of molecular size distribution. Previous work show that empirical correlations of relaxation times and diffusion coefficients were found for simple alkane mixtures, and also the shape of the relaxation and diffusion distribution functions are related to the composition of the fluids. The 2D NMR is a promising qualitative evaluation method for oil composition. But uncertainty in the interpretation of crude oil indicated further study was required. In this research, the effect of each composition on relaxation distribution functions is analyzed in detail. We also suggest a new method for prediction of the rotational correlation time distribution of crude oil molecules using low field NMR (LF-NMR) relaxation time distributions. A set of down-hole NMR fluid analysis system is independently designed and developed for fluid measurement. We illustrate this with relaxation-relaxation correlation experiments and rotational correlation time distributions on a series of hydrocarbon mixtures that employ our laboratory-designed downhole NMR fluid analyzer. The LF-NMR is a useful tool for detecting oil composition and monitoring oil property changes. Copyright © 2016 John Wiley & Sons, Ltd.

  20. A nuclear magnetic resonance study of the dynamics of organofluorine interactions with a dissolved humic acid.

    Science.gov (United States)

    Longstaffe, James G; Courtier-Murias, Denis; Simpson, Andre J

    2016-02-01

    A quantitative understanding of the dynamics of the interactions between organofluorine compounds and humic acids will contribute to an improved understanding of the role that Natural Organic Matter plays as a mediator in the fate, transport and distribution of these contaminants in the environment. Here, Nuclear Magnetic Resonance (NMR) spectroscopy-based diffusion measurements are used to estimate the association dynamics between dissolved humic acid and selected organofluorine compounds: pentafluoroaniline, pentafluorophenol, potassium perfluorooctane sulfonate, and perfluorooctanoic acid. Under the conditions used here, the strength of the association with humic acid increases linearly as temperature decreases for all compounds except for perfluorooctanoic acid, which exhibits divergent behavior with a non-linear decrease in the extent of interaction as temperature decreases. A general interaction mechanism controlled largely by desolvation effects is suggested for all compounds examined here except for perfluorooctanoic acid, which exhibits a specific mode of interaction consistent with a proteinaceous binding site. Reverse Heteronuclear Saturation Transfer Difference NMR is used to confirm the identity and nature of the humic acid binding sites.

  1. Nuclear Magnetic Resonance (NMR) as a tool for the study of the metabolism of Rickettsia slovaca.

    Science.gov (United States)

    García-Álvarez, Lara; Busto, Jesús H; Peregrina, Jesús M; Santibáñez, Sonia; Portillo, Aránzazu; Avenoza, Alberto; Oteo, José A

    2015-01-01

    Rickettsial infections are caused by intracellular bacteria. They do not grow in standard culture media so there are limitations in routine practice to study their metabolism. Nuclear Magnetic Resonance (NMR) spectroscopy is used for identification of metabolites in biological samples. Vero cells infected with Rickettsia slovaca as well as uninfected cells were monitored by (1)H NMR showing the presence of ethanol and lactic acid. As no differences were observed, labeled compounds were added into cultures. When D-[1-13C]glucose was monitored by (13)C NMR no differences among infected and uninfected cells were observed in metabolic profiles. Glucose was transformed into ethanol in all cultures. Monitored experiments carried out with [2-13C]glycine showed differences between infected and uninfected cell cultures spectra. Glycine was partially transformed into serine, but the amount of the serine formed was larger in those infected. Moreover, L-[2-13C]leucine, L-[1-13C]isoleucine and L-[15N]tyrosine were evaluated. No differences among infected and uninfected cells were observed in the metabolic profiles when tyrosine and leucine were monitored. The amino acid L-[1-13C]isoleucine exhibited different metabolism in presence of the R. slovaca, showing a promising behavior as biomarker. In this work we focused on finding one or more compounds that could be metabolized specifically by R. slovaca and could be used as an indicator of its activity.

  2. Discriminating poststroke depression from stroke by nuclear magnetic resonance spectroscopy-based metabonomic analysis.

    Science.gov (United States)

    Xiao, Jianqi; Zhang, Jie; Sun, Dan; Wang, Lin; Yu, Lijun; Wu, Hongjing; Wang, Dan; Qiu, Xuerong

    2016-01-01

    Poststroke depression (PSD), the most common psychiatric disease that stroke survivors face, is estimated to affect ~30% of poststroke patients. However, there are still no objective methods to diagnose PSD. In this study, to explore the differential metabolites in the urine of PSD subjects and to identify a potential biomarker panel for PSD diagnosis, the nuclear magnetic resonance-based metabonomic method was applied. Ten differential metabolites responsible for discriminating PSD subjects from healthy control (HC) and stroke subjects were found, and five of these metabolites were identified as potential biomarkers (lactate, α-hydroxybutyrate, phenylalanine, formate, and arabinitol). The panel consisting of these five metabolites provided excellent performance in discriminating PSD subjects from HC and stroke subjects, achieving an area under the receiver operating characteristic curve of 0.946 in the training set (43 HC, 45 stroke, and 62 PSD subjects). Moreover, this panel could classify the blinded samples from the test set (31 HC, 33 stroke, and 32 PSD subjects) with an area under the curve of 0.946. These results laid a foundation for the future development of urine-based objective methods for PSD diagnosis and investigation of PSD pathogenesis.

  3. Nuclear magnetic resonance based metabolomics and liver diseases: Recent advances and future clinical applications.

    Science.gov (United States)

    Amathieu, Roland; Triba, Mohamed Nawfal; Goossens, Corentine; Bouchemal, Nadia; Nahon, Pierre; Savarin, Philippe; Le Moyec, Laurence

    2016-01-01

    Metabolomics is defined as the quantitative measurement of the dynamic multiparametric metabolic response of living systems to pathophysiological stimuli or genetic modification. It is an "omics" technique that is situated downstream of genomics, transcriptomics and proteomics. Metabolomics is recognized as a promising technique in the field of systems biology for the evaluation of global metabolic changes. During the last decade, metabolomics approaches have become widely used in the study of liver diseases for the detection of early biomarkers and altered metabolic pathways. It is a powerful technique to improve our pathophysiological knowledge of various liver diseases. It can be a useful tool to help clinicians in the diagnostic process especially to distinguish malignant and non-malignant liver disease as well as to determine the etiology or severity of the liver disease. It can also assess therapeutic response or predict drug induced liver injury. Nevertheless, the usefulness of metabolomics is often not understood by clinicians, especially the concept of metabolomics profiling or fingerprinting. In the present work, after a concise description of the different techniques and processes used in metabolomics, we will review the main research on this subject by focusing specifically on in vitro proton nuclear magnetic resonance spectroscopy based metabolomics approaches in human studies. We will first consider the clinical point of view enlighten physicians on this new approach and emphasis its future use in clinical "routine".

  4. Detecting unfrozen sediments below thermokarst lakes with surface nuclear magnetic resonance

    Science.gov (United States)

    Parsekian, Andrew D.; Grosse, Guido; Walbrecker, Jan O.; Müller-Petke, Mike; Keating, Kristina; Liu, Lin; Jones, Benjamin M.; Knight, Rosemary

    2013-01-01

    A talik is a layer or body of unfrozen ground that occurs in permafrost due to an anomaly in thermal, hydrological, or hydrochemical conditions. Information about talik geometry is important for understanding regional surface water and groundwater interactions as well as sublacustrine methane production in thermokarst lakes. Due to the direct measurement of unfrozen water content, surface nuclear magnetic resonance (NMR) is a promising geophysical method for noninvasively estimating talik dimensions. We made surface NMR measurements on thermokarst lakes and terrestrial permafrost near Fairbanks, Alaska, and confirmed our results using limited direct measurements. At an 8 m deep lake, we observed thaw bulb at least 22 m below the surface; at a 1.4 m deep lake, we detected a talik extending between 5 and 6 m below the surface. Our study demonstrates the value that surface NMR may have in the cryosphere for studies of thermokarst lake hydrology and their related role in the carbon cycle.

  5. The effect of rough surfaces on Nuclear Magnetic Resonance relaxation experiments

    CERN Document Server

    Nordin, Matias

    2015-01-01

    Most theoretical treatments of Nuclear Magnetic Resonance (NMR) assume ideal smooth geometries (i.e. slabs, spheres or cylinders) with well-defined surface-to-volume ratios (S/V). This same assumption is commonly adopted for naturally occurring materials, where the pore geometry can differ substantially from these ideal shapes. In this paper the effect of surface roughness on the T2 relaxation spectrum is studied. By homogenization of the problem using an electrostatic approach it is found that the effective surface relaxivity can increase dramatically in the presence of rough surfaces. This leads to a situation where the system responds as a smooth pore, but with significantly increased surface relaxivity. As a result: the standard approach of assuming an idealized geometry with known surface-to-volume and inverting the T2 relaxation spectrum to a pore size distribution is no longer valid. The effective relaxivity is found to be fairly insensitive to the shape of roughness but strongly dependent on the width...

  6. (1)H nuclear magnetic resonance-based metabolomics study of earthworm Perionyx excavatus in vermifiltration process.

    Science.gov (United States)

    Wang, Lei; Huang, Xulei; Laserna, Anna Karen Carrasco; Li, Sam Fong Yau

    2016-10-01

    In this study, (1)H nuclear magnetic resonance (NMR)-based metabolomics approach was used to characterize the metabolic response of the earthworm Perionyx excavatus in continuous vermifiltration for two months under hydraulic loading rates of 1m(3)m(-2)d(-1) (VF1) and 1.5m(3)m(-2)d(-1) (VF1.5). Both VF1 and VF1.5 showed higher removal of chemical oxygen demand and total nitrogen than the biofilter without earthworms. Principal component analysis of the NMR spectra of earthworm metabolites showed significant separations between those not subjected to wastewater filtration (control) and VF1 or VF1.5. Temporal variations of earthworm biomass, and the identified metabolites that are significantly different between control, VF1 and VF1.5 revealed that worms underwent increasing metabolic activity within 20days in VF1 and 14days in VF1.5, then decreasing metabolic activity. The use of NMR-based metabolomics in monitoring earthworm metabolism was demonstrated to be a novel approach in studying engineered vermifiltration systems.

  7. Soil humic-like organic compounds in prescribed fire emissions using nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Here we present the chemical characterization of the water-soluble organic carbon fraction of atmospheric aerosol collected during a prescribed fire burn in relation to soil organic matter and biomass combustion. Using nuclear magnetic resonance spectroscopy, we observed that humic-like substances in fire emissions have been associated with soil organic matter rather than biomass. Using a chemical mass balance model, we estimated that soil organic matter may contribute up to 41% of organic hydrogen and up to 27% of water-soluble organic carbon in fire emissions. Dust particles, when mixed with fresh combustion emissions, substantially enhances the atmospheric oxidative capacity, particle formation and microphysical properties of clouds influencing the climatic responses of atmospheric aeroso. Owing to the large emissions of combustion aerosol during fires, the release of dust particles from soil surfaces that are subjected to intense heating and shear stress has, so far, been lacking. -- Highlights: •We characterized the water-soluble organic carbon (WSOC) of fire emissions by NMR. •Distinct patterns were observed for soil dust and vegetation combustion emissions. •Soil organic matter accounted for most of WSOC in early prescribed burn emissions. -- Humic-like soil organic matter may be an important component of particulate emissions in the early stages of wildfires

  8. Relaxation study of cement based grouting material using nuclear magnetic resonance

    Institute of Scientific and Technical Information of China (English)

    Li Xianzhong; Lin Baiquan; Zhai Cheng; Ni Guanhua; Li Ziwen

    2012-01-01

    Aiming at actual condition of poor effect of hole sealing for the reason of poor cement paste fluidity in the process of coal mine gas drainage,by adding a water reducing agent,cement paste for hole sealing was produced.The changes of initial distribution,weighted average values and total relaxation signal intensity of transverse relaxation time (T2) of water in pure cement paste and water reducing agent added cement paste were studied with low field proton nuclear magnetic resonance (NMR).The results show that there are four peaks in T2 distribution curves of cement paste:the first peak is related to the bound water in flocculation,the second and the third peaks are related to the water in flocculation,water reducing agent makes it extending towards the long relaxation time,increasing its liquidity,and the fourth peak is related to the free water.By using weighted average values of T2 and total relaxation signal intensity,hydration process of cement pastes could be roughly divided into four stages:the initial period,reaction period,accelerated period and steady period.By analyzing the periods,it makes sure that the grouting process should be completed in the reaction period in the site,and the drainage process should be started in the steady period.The results have great guiding significance to the hole sealing and methane drainage.

  9. Relaxation study of cement based grouting material using nuclear magnetic resonance

    Institute of Scientific and Technical Information of China (English)

    Li; Xianzhong; Lin; Baiquan; Zhai; Cheng; Ni; Guanhua; Li; Ziwen

    2012-01-01

    Aiming at actual condition of poor effect of hole sealing for the reason of poor cement paste fluidity in the process of coal mine gas drainage,by adding a water reducing agent,cement paste for hole sealing was produced.The changes of initial distribution,weighted average values and total relaxation signal intensity of transverse relaxation time(T 2) of water in pure cement paste and water reducing agent added cement paste were studied with low field proton nuclear magnetic resonance(NMR).The results show that there are four peaks in T2 distribution curves of cement paste:the first peak is related to the bound water in flocculation,the second and the third peaks are related to the water in flocculation,water reducing agent makes it extending towards the long relaxation time,increasing its liquidity,and the fourth peak is related to the free water.By using weighted average values of T2 and total relaxation signal intensity,hydration process of cement pastes could be roughly divided into four stages:the initial period,reaction period,accelerated period and steady period.By analyzing the periods,it makes sure that the grouting process should be completed in the reaction period in the site,and the drainage process should be started in the steady period.The results have great guiding significance to the hole sealing and methane drainage.

  10. Recent Advances in Characterization of Lignin Polymer by Solution-State Nuclear Magnetic Resonance (NMR Methodology

    Directory of Open Access Journals (Sweden)

    Run-Cang Sun

    2013-01-01

    Full Text Available The demand for efficient utilization of biomass induces a detailed analysis of the fundamental chemical structures of biomass, especially the complex structures of lignin polymers, which have long been recognized for their negative impact on biorefinery. Traditionally, it has been attempted to reveal the complicated and heterogeneous structure of lignin by a series of chemical analyses, such as thioacidolysis (TA, nitrobenzene oxidation (NBO, and derivatization followed by reductive cleavage (DFRC. Recent advances in nuclear magnetic resonance (NMR technology undoubtedly have made solution-state NMR become the most widely used technique in structural characterization of lignin due to its versatility in illustrating structural features and structural transformations of lignin polymers. As one of the most promising diagnostic tools, NMR provides unambiguous evidence for specific structures as well as quantitative structural information. The recent advances in two-dimensional solution-state NMR techniques for structural analysis of lignin in isolated and whole cell wall states (in situ, as well as their applications are reviewed.

  11. Properties of Cs-intercalated single wall carbon nanotubes investigated by 133Cs Nuclear Magnetic resonance

    KAUST Repository

    Schmid, Marc R.

    2012-11-01

    In the present study, we investigated Cs-intercalated single wall carbon nanotubes (SWCNTs) using 133Cs Nuclear Magnetic resonance. We show that there are two types of Cs cations depending on the insertion level. Indeed, at low concentrations, Static spectra analysis shows that the Cs (α)+ species are fully ionized, i.e. α equal ca.1, while at higher concentrations a second paramagnetically shifted line appears, indicating the formation of Cs (β)+ ions with β < α ∼ +1. At low concentrations and low temperatures the Cs (α)+ ions exhibit a weak hyperfine coupling to the SWCNT conduction electrons, whereas, at higher temperatures, a thermally activated slow-motion diffusion process of the Cs (α)+ ions occurs along the interstitial channels present within the carbon nanotube bundles. At high concentrations, the Cs (β)+ ions seem to occupy well defined positions relative to the carbon lattice. As a matter of fact, the Korringa relaxation behavior suggests a strong hyperfine coupling between Cs nuclei and conduction electrons in the carbon nanotubes and a partial charge transfer, which suggest a plausible Cs(6s)-C(2p) hybridization. © 2012 Elsevier Ltd. All rights reserved.

  12. Electronic properties of Cs-intercalated single-walled carbon nanotubes derived from nuclear magnetic resonance

    KAUST Repository

    Abou-Hamad, E

    2011-05-24

    We report on the electronic properties of Cs-intercalated single-walled carbon nanotubes (SWNTs). A detailed analysis of the 13C and 133Cs nuclear magnetic resonance (NMR) spectra reveals an increased metallization of the pristine SWNTs under Cs intercalation. The \\'metallization\\' of CsxC materials where x=0–0.144 is evidenced from the increased local electronic density of states (DOS) n(EF) at the Fermi level of the SWNTs as determined from spin–lattice relaxation measurements. In particular, there are two distinct electronic phases called α and β and the transition between these occurs around x=0.05. The electronic DOS at the Fermi level increases monotonically at low intercalation levels x<0.05 (α-phase), whereas it reaches a plateau in the range 0.05≤x≤0.143 at high intercalation levels (β-phase). The new β-phase is accompanied by a hybridization of Cs(6s) orbitals with C(sp2) orbitals of the SWNTs. In both phases, two types of metallic nanotubes are found with a low and a high local n(EF), corresponding to different local electronic band structures of the SWNTs.

  13. Serum Metabolomic Profiling of Sulphur Mustard-Exposed Individuals Using (1)H Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Zamani, Zahra; Ghanei, Mostafa; Panahi, Yunus; Arjmand, Mohammad; Sadeghi, Sedigheh; Mirkhani, Fatemeh; Parvin, Shahram; Salehi, Maryam; Sahebkar, Amirhossein; Vahabi, Farideh

    2016-01-01

    Sulphur mustard is an alkylating agent that reacts with different cellular components, causing acute and delayed complications that may remain for decades after exposure. This study aimed to identify differentially expressed metabolites between mustard-exposed individuals suffering from chronic complications compared with unexposed individuals as the control group. Serum samples were obtained from 15 mustard-exposed individuals and 15 apparently healthy unexposed individuals. Metabolomic profiling was performed using (1)H nuclear magnetic resonance spectroscopy, and analyses were carried out using Chenomex and MATLAB softwares. Metabolites were identified using Human Metabolome Database, and the main metabolic pathways were identified using MetaboAnalyst software. Chemometric analysis of serum samples identified 11 differentially expressed metabolites between mustard-exposed and unexposed groups. The main pathways that were influenced by sulphur mustard exposure were related to vitamin B6 (down-regulation), bile acid (up-regulation) and tryptophan (down-regulation) metabolism. Metabolism of vitamin B6, bile acids and tryptophan are the most severely impaired pathways in individuals suffering from chronic mustard-induced complications. These findings may find implications in the monitoring of exposed patients and identification of new therapeutic approaches.

  14. Insights into partially folded or unfolded States of metalloproteins from nuclear magnetic resonance.

    Science.gov (United States)

    Turano, Paola

    2004-12-13

    Nuclear magnetic resonance (NMR) provides detailed insights into the conformational features of unfolded and partially folded proteins. In the case of metalloproteins, special attention should be devoted to the characterization of the properties of the metal binding sites, and specific approaches need to be developed depending on the nature of the metal ion and its coordination environment. At the same time, metal-based NMR parameters may help in getting a better picture of the average structural properties of the metalloprotein. A critical evaluation of the limits of applicability of paramagnetic effects for solution structure determination in partially folded or unfolded proteins is presented. The coupling between NMR characterization of structure and dynamic of the polypeptide chain and of the metal environment provides insights into the stabilizing role of metal ions in metalloproteins. The overall approach is illustrated for some case examples of increasing flexibility obtained far from native conditions for cytochrome c and superoxide dismutase, two metalloproteins that have been extensively studied in our lab and whose misfolded forms may be relevant for important biological processes.

  15. In vivo 31P nuclear magnetic resonance investigation of tellurite toxicity in Escherichia coli.

    Science.gov (United States)

    Lohmeier-Vogel, Elke M; Ung, Shiela; Turner, Raymond J

    2004-12-01

    Here we compare the physiological state of Escherichia coli exposed to tellurite or selenite by using the noninvasive technique of phosphorus-31 nuclear magnetic resonance (NMR) spectroscopy. We studied glucose-fed Escherichia coli HB101 cells containing either a normal pUC8 plasmid with no tellurite resistance determinants present or the pTWT100 plasmid which contains the resistance determinants tehAB. No differences could be observed in intracellular ATP levels, the presence or absence of a transmembrane pH gradient, or the levels of phosphorylated glycolytic intermediates when resistant cells were studied by 31P NMR in the presence or absence of tellurite. In the sensitive strain, we observed that the transmembrane pH gradient was dissipated and intracellular ATP levels were rapidly depleted upon exposure to tellurite. Only the level of phosphorylated glycolytic intermediates remained the same as observed with resistant cells. Upon exposure to selenite, no differences could be observed by 31P NMR between resistant and sensitive strains, suggesting that the routes for selenite and tellurite reduction within the cells differ significantly, since only tellurite is able to collapse the transmembrane pH gradient and lower ATP levels in sensitive cells. The presence of the resistance determinant tehAB, by an as yet unidentified detoxification event, protects the cells from uncoupling by tellurite.

  16. Fragment-Based Electronic Structure Approach for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals.

    Science.gov (United States)

    Hartman, Joshua D; Beran, Gregory J O

    2014-11-11

    First-principles chemical shielding tensor predictions play a critical role in studying molecular crystal structures using nuclear magnetic resonance. Fragment-based electronic structure methods have dramatically improved the ability to model molecular crystal structures and energetics using high-level electronic structure methods. Here, a many-body expansion fragment approach is applied to the calculation of chemical shielding tensors in molecular crystals. First, the impact of truncating the many-body expansion at different orders and the role of electrostatic embedding are examined on a series of molecular clusters extracted from molecular crystals. Second, the ability of these techniques to assign three polymorphic forms of the drug sulfanilamide to the corresponding experimental (13)C spectra is assessed. This challenging example requires discriminating among spectra whose (13)C chemical shifts differ by only a few parts per million (ppm) across the different polymorphs. Fragment-based PBE0/6-311+G(2d,p) level chemical shielding predictions correctly assign these three polymorphs and reproduce the sulfanilamide experimental (13)C chemical shifts with 1 ppm accuracy. The results demonstrate that fragment approaches are competitive with the widely used gauge-invariant projector augmented wave (GIPAW) periodic density functional theory calculations. PMID:26584373

  17. Modelling studies in aqueous solution of lanthanide (III) chelates designed for nuclear magnetic resonance biomedical applications

    Science.gov (United States)

    Henriques, E. S.; Geraldes, C. F. G. C.; Ramos, M. J.

    Molecular dynamics simulations and complementary modelling studies have been carried out for the [Gd(DOTA)·(H2O)]- and [Tm(DOTP)]5- chelates in aqueous media, to provide a better understanding of several structural and dynamical properties of these versatile nuclear magnetic resonance (NMR) probes, including coordination shells and corresponding water exchange mechanisms, and interactions of these complexes with alkali metal ions. This knowledge is of key importance in the areas of 1H relaxation and shift reagents for NMR applications in medical diagnosis. A new refinement of our own previously developed set of parameters for these Ln(III) chelates has been used, and is reported here. Calculations of water mean residence times suggest a reassessment of the characterization of the chelates' second coordination shell, one where the simple spherical distribution model is discarded in favour of a more detailed approach. Na+ probe interaction maps are in good agreement with the available site location predictions derived from 23Na NMR shifts.

  18. A reactor for high-throughput high-pressure nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    The design of a reactor for operando nuclear magnetic resonance (NMR) monitoring of high-pressure gas-liquid reactions is described. The Wisconsin High Pressure NMR Reactor (WiHP-NMRR) design comprises four modules: a sapphire NMR tube with titanium tube holder rated for pressures as high as 1000 psig (68 atm) and temperatures ranging from −90 to 90 °C, a gas circulation system that maintains equilibrium concentrations of dissolved gases during gas-consuming or gas-releasing reactions, a liquid injection apparatus that is capable of adding measured amounts of solutions to the reactor under high pressure conditions, and a rapid wash system that enables the reactor to be cleaned without removal from the NMR instrument. The WiHP-NMRR is compatible with commercial 10 mm NMR probes. Reactions performed in the WiHP-NMRR yield high quality, information-rich, and multinuclear NMR data over the entire reaction time course with rapid experimental turnaround

  19. Microfluidic integration of wirebonded microcoils for on-chip applications in nuclear magnetic resonance

    International Nuclear Information System (INIS)

    We present an integrated microfluidic device for on-chip nuclear magnetic resonance (NMR) studies of microscopic samples. The devices are fabricated by means of a MEMS compatible process, which joins the automatic wirebond winding of solenoidal microcoils and the manufacturing of a complex microfluidic network using dry-photoresist lamination. The wafer-scale cleanroom process is potentially capable of mass fabrication. Since the non-invasive NMR analysis technique is rather insensitive, particularly when microscopic sample volumes are to be investigated, we also focus on the optimization of the wirebonded microcoil for this purpose. The on-chip measurement of NMR signals from a 20 nl sample are evaluated for imaging analysis of microparticles, as well as for spectroscopy. Whereas the latter revealed that the sensitivity of the MEMS microcoil is comparable with hand-wound devices and achieves a full-width-half-maximum linewidth of 8 Hz, the imaging experiment demonstrated 10 μm isotropic spatial resolution within an experiment time of 38 min for a 3D image with a field of view of 1 mm × 1 mm × 0.5 mm (500 000 voxels). (paper)

  20. Nuclear magnetic resonance studies on vanadium(IV) electrolyte solutions for vanadium redox flow battery

    Science.gov (United States)

    Vijayakumar, M.; Burton, Sarah D.; Huang, Cheng; Li, Liyu; Yang, Zhenguo; Graff, Gordon L.; Liu, Jun; Hu, Jianzhi; Skyllas-Kazacos, Maria

    The vanadium(IV) electrolyte solutions with various vanadium concentrations are studied by variable temperature 1H and 17O nuclear magnetic resonance (NMR) spectroscopy. The structure and kinetics of vanadium(IV) species in the electrolyte solutions are explored with respect to vanadium concentration and temperature. It was found that the vanadium(IV) species exist as hydrated vanadyl ion, i.e. [VO(H 2O) 5] 2+ forming an octahedral coordination with vanadyl oxygen in the axial position and the remaining positions occupied by water molecules. This hydrated vanadyl ion structure is stable in vanadium concentrations up to 3 M and in the temperature range of 240-340 K. The sulfate anions in the electrolyte solutions are found to be weekly bound to this hydrated vanadyl ion and occupies its second-coordination sphere. The possible effects of these sulfate anions in proton and water exchange between vanadyl ion and solvent molecules are discussed based on 1H and 17O NMR results.

  1. [Characterization of biochar by X-ray photoelectron spectroscopy and 13C nuclear magnetic resonance].

    Science.gov (United States)

    Xu, Dong-yu; Jin, Jie; Yan, Yu; Han, Lan-fang; Kang, Ming-jie; Wang, Zi-ying; Zhao, Ye; Sun, Ke

    2014-12-01

    The wood (willow branch) and grass (rice straw) materials were pyrolyzed at different temperatures (300, 450 and 600 °C) to obtain the biochars used in the present study. The biochars were characterized using elementary analysis, X-ray photoelectron spectroscopy (XPS) and solid state 13C cross-polarization and magic angle spinning nuclear magnetic resonance spectroscopy (13C NMR) to illuminate the structure and composition of the biochars which were derived from the different thermal temperatures and biomass. The results showed that the H/C, O/C and (O+N)/C ratios of the biochars decreased with the increase in the pyrolysis temperatures. The surface polarity and ash content of the grass-derived biochars were higher than those of the wood-derived biochars. The minerals of the wood-derived biochars were mainly covered by the organic matter; in contrast, parts of the mineral surfaces of the grass-derived biochars were not covered by organic matter? The 13C NMR of the low temperature-derived biochars revealed a large contribution of aromatic carbon, aliphatic carbon, carboxyl and carbonyl carbon, while the high temperature-derived biochars contained a large amount of aromatic carbon. Moreover, the wood-derived biochars produced at low heat treatment temperatures contained more lignin residues than grass-derived ones, probably due to the existence of high lignin content in the feedstock soures of wood-derived biochars. The results of the study would be useful for environmental application of biochars.

  2. Microfluidic integration of wirebonded microcoils for on-chip applications in nuclear magnetic resonance

    Science.gov (United States)

    Meier, Robert Ch; Höfflin, Jens; Badilita, Vlad; Wallrabe, Ulrike; Korvink, Jan G.

    2014-04-01

    We present an integrated microfluidic device for on-chip nuclear magnetic resonance (NMR) studies of microscopic samples. The devices are fabricated by means of a MEMS compatible process, which joins the automatic wirebond winding of solenoidal microcoils and the manufacturing of a complex microfluidic network using dry-photoresist lamination. The wafer-scale cleanroom process is potentially capable of mass fabrication. Since the non-invasive NMR analysis technique is rather insensitive, particularly when microscopic sample volumes are to be investigated, we also focus on the optimization of the wirebonded microcoil for this purpose. The on-chip measurement of NMR signals from a 20 nl sample are evaluated for imaging analysis of microparticles, as well as for spectroscopy. Whereas the latter revealed that the sensitivity of the MEMS microcoil is comparable with hand-wound devices and achieves a full-width-half-maximum linewidth of 8 Hz, the imaging experiment demonstrated 10 μm isotropic spatial resolution within an experiment time of 38 min for a 3D image with a field of view of 1 mm × 1 mm × 0.5 mm (500 000 voxels).

  3. Nuclear magnetic resonance imaging in a case of facial myokymia with multiple sclerosis

    International Nuclear Information System (INIS)

    A 59-year-old female of facial myokymia with multiple sclerosis was reported. In this case, facial myokymia appeared at the same time as the first attack of multiple sclerosis, in association with paroxysmal pain and desesthesia of the neck, painful tonic seizures of the right upper and lower extremities and cervical transverse myelopathy. The facial myokymia consisted of grossly visible, continuous, fine and worm-like movement, which often began in the area of the left orbicularis oculi and spread to the other facial muscles on one side. Electromyographic studies revealed grouping of motor units and continuous spontaneous rhythmic discharges in the left orbicularis oris suggesting facial myokymia, but there were no abnormalities on voluntary contraction. Sometimes doublet or multiplet patterns occurred while at other times the bursts were of single motor potential. The respective frequencies were 3-4/sec and 40-50/sec. There was no evidence of fibrillation. The facial myokymia disappeared after 4-8 weeks of administration of prednisolone and did not recur. In the remission stage after disappearance of the facial myokymia, nuclear magnetic resonance (NMR) imaging by the inversion recovery method demonstrated low intensity demyelinated plaque in the left lateral tegmentum of the inferior pons, which was responsible for the facial myokymia, but X-ray computed tomography revealed no pathological findings. The demyelinated plaque demonstrated by NMR imaging seemed to be located in the infranuclear area of the facial nerve nucleus and to involve the intramedurally root. (J.P.N.)

  4. Purity Assessment of Aryltetralin Lactone Lignans by Quantitative 1H Nuclear Magnetic Resonance

    Directory of Open Access Journals (Sweden)

    Yan-Jun Sun

    2015-05-01

    Full Text Available In the present work, a quantitative 1H Nuclear Magnetic Resonance (qHNMR was established for purity assessment of six aryltetralin lactone lignans. The validation of the method was carried out, including specificity, selectivity, linearity, accuracy, precision, and robustness. Several experimental parameters were optimized, including relaxation delay (D1, scan numbers (NS, and pulse angle. 1,4-Dinitrobenzene was used as internal standard (IS, and deuterated dimethyl sulfoxide (DMSO-d6 as the NMR solvent. The purities were calculated by the area ratios of H-2,6 from target analytes vs. aromatic protons from IS. Six aryltetralin lactone lignans (deoxypodophyllotoxin, podophyllotoxin, 4-demethylpodophyllotoxin, podophyllotoxin-7′-O-β-d-glucopyranoside, 4-demethylpodophyllotoxin-7′-O-β-d-glucopyranoside, and 6′′-acetyl-podophyllotoxin-7′-O-β -d-glucopyranoside were analyzed. The analytic results of qHNMR were further validated by high performance liquid chromatography (HPLC. Therefore, the qHNMR method was a rapid, accurate, reliable tool for monitoring the purity of aryltetralin lactone lignans.

  5. A review on the applications of the nuclear magnetic resonance (NMR) technology for investigating fractures

    Science.gov (United States)

    Golsanami, Naser; Sun, Jianmeng; Zhang, Zhiying

    2016-10-01

    This review focuses on the recent applications of nuclear magnetic resonance (NMR) technology for characterizing fractures. The paper aims to help researchers in extending the existing reservoir characterization methods (which are commonly used in conventional hydrocarbon reservoirs) for appropriate usage in unconventional resources. This is because some techniques for quantifying and qualifying fractures have been investigated in conventional sandstone and carbonate reservoirs, but the reality for unconventional resources is that such techniques are still poorly developed. Fractures are necessary for economical production of petroleum from many low-permeability reservoirs. The characterization of fractures by well logging technology is of great interest in the petroleum industry. The main purpose of this study is to review the characterization techniques that are developed either for identifying fractures or distinguishing fracture porosity from matrix porosity. This concept plays a leading role in providing availability of an optimized well completion program. The results of this study indicated that in terms of both sandstone and carbonate tight reservoirs, there have not been many steps taken toward the aforementioned goal up to now. Nevertheless, these steps are valuable enough to be counted on and could serve a meaningful function in treating hydrocarbon reservoirs. Because of the ongoing changes in today's petroleum industry, development of a comprehensive methodology will create greater economic benefits in unconventional reservoirs than in the conventional ones.

  6. Sedimentary rock porosity studied by electromagnetic techniques: nuclear magnetic resonance and dielectric permittivity

    Science.gov (United States)

    Ramia, M. E.; Martín, C. A.

    2015-02-01

    The present work involves a comprehensive experimental study of porosity and pore size distribution of sedimentary rocks, from oil fields formations, by means of two electromagnetic techniques, namely proton (1H) nuclear magnetic resonance (NMR) and dielectric complex constant (DCC) as function of the frequency, both providing complementary results. The NMR yields an accurate determination of the relative pore size distribution and both movable and irreducible fluids. The DCC measurement provides the direct current electrical resistivity of the samples with different degrees of hydration. Thus, combining the results of both techniques allows the determination of the tortuosity index, by means of Archie's relation, and from it the average pore channel length. These measurements are performed on fully hydrated (saturated), centrifuged, dried, and cleaned rocks and also on samples with the irreducible fluids. Finally, the results are complemented with capillary pressure measurements to obtain the total volume associated with the pore channels related to the rock permeability. Additionally, the work presents a particular method to use a network analyzer to measure the DCC.

  7. Molecular dynamics and composition of crude oil by low-field nuclear magnetic resonance.

    Science.gov (United States)

    Jia, Zijian; Xiao, Lizhi; Wang, Zhizhan; Liao, Guangzhi; Zhang, Yan; Liang, Can

    2016-08-01

    Nuclear magnetic resonance (NMR) techniques are widely used to identify pure substances and probe protein dynamics. Oil is a complex mixture composed of hydrocarbons, which have a wide range of molecular size distribution. Previous work show that empirical correlations of relaxation times and diffusion coefficients were found for simple alkane mixtures, and also the shape of the relaxation and diffusion distribution functions are related to the composition of the fluids. The 2D NMR is a promising qualitative evaluation method for oil composition. But uncertainty in the interpretation of crude oil indicated further study was required. In this research, the effect of each composition on relaxation distribution functions is analyzed in detail. We also suggest a new method for prediction of the rotational correlation time distribution of crude oil molecules using low field NMR (LF-NMR) relaxation time distributions. A set of down-hole NMR fluid analysis system is independently designed and developed for fluid measurement. We illustrate this with relaxation-relaxation correlation experiments and rotational correlation time distributions on a series of hydrocarbon mixtures that employ our laboratory-designed downhole NMR fluid analyzer. The LF-NMR is a useful tool for detecting oil composition and monitoring oil property changes. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26990450

  8. Nuclear Magnetic Resonance Solution Structure of DNA Featuring Clustered 2'-Deoxyribonolactone and 8-Oxoguanine Lesions.

    Science.gov (United States)

    Zálešák, Jan; Constant, Jean-François; Jourdan, Muriel

    2016-07-19

    Ionizing radiation, free radicals, and reactive oxygen species produce hundreds of different DNA lesions. Clustered lesions are typical for ionizing radiation. They compromise the efficiency of the base excision repair (BER) pathway, and as a consequence, they are much more toxic and mutagenic than isolated lesions. Despite their biological relevance, e.g., in cancer radiotherapy and accidental exposure, they are not very well studied from a structural point of view, and while insights provided by structural studies contribute to the understanding of the repair process, only three nuclear magnetic resonance (NMR) studies of DNA containing clusters of lesions were reported. Herein, we report the first NMR solution structure of two DNAs containing a bistranded cluster with the 2'-deoxyribonolactone and 8-oxoguanine lesions. Both DNA duplexes feature a 2'-deoxyribonolactone site in the middle of the sequence of one strand and differ by the relative position of the 8-oxoguanine, staggered 3' or 5' side on the complementary strand at a three-nucleotide distance. Depending on its relative position, the repair of the 8-oxoguanine lesion by the base excision repair protein Fpg is either almost complete or inhibited. We found that the structures of the two DNAs containing a bistranded cluster of two lesions are similar and do not deviate very much from the standard B-form. As no obvious structural deformations were observed between the two duplexes, we concluded that the differences in Fpg activity are not due to differences in their global conformation. PMID:27322640

  9. Characterization of urban aerosol using aerosol mass spectrometry and proton nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Cleveland, M. J.; Ziemba, L. D.; Griffin, R. J.; Dibb, J. E.; Anderson, C. H.; Lefer, B.; Rappenglück, B.

    2012-07-01

    Particulate matter was measured during August and September of 2006 in Houston as part of the Texas Air Quality Study II Radical and Aerosol Measurement Project. Aerosol size and composition were determined using an Aerodyne quadrupole aerosol mass spectrometer. Aerosol was dominated by sulfate (4.1 ± 2.6 μg m-3) and organic material (5.5 ± 4.0 μg m-3), with contributions of organic material from both primary (˜32%) and secondary (˜68%) sources. Secondary organic aerosol appears to be formed locally. In addition, 29 aerosol filter samples were analyzed using proton nuclear magnetic resonance (1H NMR) spectroscopy to determine relative concentrations of organic functional groups. Houston aerosols are less oxidized than those observed elsewhere, with smaller relative contributions of carbon-oxygen double bonds. These particles do not fit 1H NMR source apportionment fingerprints for identification of secondary, marine, and biomass burning organic aerosol, suggesting that a new fingerprint for highly urbanized and industrially influenced locations be established.

  10. The structure of phosphate glass biomaterials from neutron diffraction and 31P nuclear magnetic resonance data

    International Nuclear Information System (INIS)

    Neutron diffraction and 31P nuclear magnetic resonance spectroscopy were used to probe the structure of phosphate glass biomaterials of general composition (CaO)0.5-x(Na2O)x(P2O5)0.5 (x = 0, 0.1 and 0.5). The results suggest that all three glasses have structures based on chains of Q2 phosphate groups. Clear structural differences are observed between the glasses containing Na2O and CaO. The P-O bonds to bridging and non-bridging oxygens are less well resolved in the neutron data from the samples containing CaO, suggesting a change in the nature of the bonding as the field strength of the cation increases Na+ → Ca2+. In the (CaO)0.5(P2O5)0.5 glass most of the Ca2+ ions are present in isolated CaOx polyhedra whereas in the (Na2O)0.5(P2O5)0.5 glass the NaOx polyhedra share edges leading to a Na-Na correlation. The results of the structural study are related to the properties of the (CaO)0.4(Na2O)0.1(P2O5)0.5 biomaterial

  11. Nuclear magnetic resonance metabonomic profiling using tO2PLS

    International Nuclear Information System (INIS)

    Graphical abstract: -- Highlights: •Transposition of O2PLS input matrix (tO2PLS) to analyze metabonomics data. •tO2PLS specific components describe features that separate and define sample groups. •Application of tO2PLS to a 1H NMR metabonomics study of black bream fish. -- Abstract: Blood plasma collected from adult fish (black bream, Sparidae) exposed to a dose of 5 mg kg−1 17β-estradiol underwent metabonomic profiling using nuclear magnetic resonance (NMR). An extension of the orthogonal 2 projection to latent structure (O2PLS) analysis, tO2PLS, was proposed and utilized to classify changes between the control and experimental metabolic profiles. As a bidirectional modeling tool, O2PLS examines the (variable) commonality between two different data blocks, and extracts the joint correlations as well as the unique variations present within each data block. tO2PLS is a proposed matrix transposition of O2PLS to allow for commonality between experiments (spectral profiles) to be observed, rather than between sample variables. tO2PLS analysis highlighted two potential biomarkers, trimethylamine-N-oxide (TMAO) and choline, that distinguish between control and 17β-estradiol exposed fish. This study presents an alternative way of examining spectroscopic (metabolite) data, providing a method for the visual assessment of similarities and differences between control and experimental spectral features in large data sets

  12. Correlated Biofilm Imaging, Transport and Metabolism Measurements via Combined Nuclear Magnetic Resonance and Confocal Microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Mclean, Jeffrey S.; Ona, Ositadinma; Majors, Paul D.

    2008-02-18

    Bacterial biofilms are complex, three-dimensional, communities that are found nearly everywhere in nature1 and are being recognized as the cause of treatment-resistant infections1 2. Advanced methods are required to characterize their collective and spatial patterns of metabolism however most techniques are invasive or destructive. Here we describe the use of a combined confocal laser scanning microscopy (CLSM) and nuclear magnetic resonance (NMR) microscopy system to monitor structure, mass transport, and metabolism in active biofilms. Non-invasive NMR methods provide macroscopic structure along with spatially-resolved metabolite profiles and diffusion measurements. CLSM enables monitoring of cells by fluorescent protein reporters to investigate biofilm structure and gene expression concurrently. A planar sample chamber design facilitates depth-resolved measurements on 140 nL sample volumes under laminar flow conditions. The techniques and approaches described here are applicable to environmental and medically relevant microbial communities, thus providing key metabolic information for promoting beneficial biofilms and treating associated diseases.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bolo, N.R.

    1991-11-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Bolo, N.R.

    1991-11-01

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

  15. Contribution of computerized tomography and nuclear magnetic resonance to the diagnosis of vascular dementia

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance (NMR) and computerized tomography (CT) have become indispensable to the exploration of patients with vascular dementia. NMR is remarkable for its innocuity, its anatomical accuracy, its sensitivity and the three-dimensional approach it offers. CT is less sensitive, but the examinations are shorter and less costly. These two techniques seem to be about equally effective in visualizing multiple infarcts, although NMR gives a better contrast. In dementia due to multiple infarcts, the bilateral cortical and subcortical lesions coexist with moderate cortical atrophy. The cerebral lacunae of lacunar dementia are better visualized by NMR; they are distributed on both sides, predominate in the frontal lobes and only produce slight cortical atrophy, less pronounced than ventricular dilatation. The main advantage of NMR is its high sensitivity in detecting early changes in the white matter, changes which are particularly perceptible in juxta- and peri-ventricular areas in arteriosclerous subcortical leucoencephalopathy. NMR, not very specific here, does not readily separate these lesions from those of other types of leucoencephalopathy. The finding of hypodense areas at CT or hypersignals at NMR (T2) around the ventricles may help in differentiating between vascular dementia, irrespective of its mechanism, and primary dementia

  16. Characterizing petrophysical properties of carbonate rocks using nuclear magnetic resonance and spectral induced polarization

    Science.gov (United States)

    Zhang, Fan; Zhang, Chi; Rankey, Eugene

    2016-04-01

    Unlike sandstones, with well-characterized correlations between porosity and permeability, carbonate rocks are well known for their highly complex petrophysical behaviors due to their intrinsically heterogeneous pore shape, pore size, and pore distributions and connectivity. The characterization of petrophysical properties of carbonate rocks, including rock properties and rock-fluid interactions, remains big challenges. This laboratory study focuses on integrating two geophysical methods: nuclear magnetic resonance (NMR) and spectral induced polarization (SIP) to determine porosity, pore size distribution, and permeability of carbonate rocks. NMR measures the relaxation of hydrogen nuclei at pore scale. Samples with different pore structures saturated by fluids have molecular relaxation responses to the external magnetic field which could generate various NMR signals. Permeability estimation from NMR in siliciclastic rocks is routine, however, is problematic in carbonates. SIP determines complex resistivity of a sample across a wide range of frequency and is sensitive to variations in the properties of solid-fluid and fluid-fluid interfaces in porous media. Previous studies investigated the relationships between permeability and parameters derived from SIP data, but are restricted to narrow lithology range. Our study used carbonate core samples from three depositional environments: tidal zone, shallow marine, and platform/reef margin of an atoll. Samples were fully saturated by water for T2 relaxation measurements and complex conductivity measurements at low frequencies. We compare the pore volume to surface area ratio measured from NMR and SIP and assess the applicability of established petrophysical models to estimate permeability from NMR and SIP data. We hope to build a relationship between NMR signals, SIP responses and petrophysical properties in carbonate rocks. The results could also provide new data and help further understand the unique and complex pore

  17. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, J., E-mail: JMitchell16@slb.com [Schlumberger Gould Research, High Cross, Madingley Road, Cambridge CB3 0EL (United Kingdom); Chandrasekera, T. C. [Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA (United Kingdom)

    2014-12-14

    The nuclear magnetic resonance transverse relaxation time T{sub 2}, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T{sub 2} provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T{sub 2} distributions demands appropriate processing of the measured data since T{sub 2} is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form −ant{sub e}{sup k} (where n is the number and t{sub e} the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T{sub 2} distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries.

  18. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

    International Nuclear Information System (INIS)

    The nuclear magnetic resonance transverse relaxation time T2, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T2 provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T2 distributions demands appropriate processing of the measured data since T2 is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form −antek (where n is the number and te the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T2 distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries

  19. High resolution nuclear magnetic resonance: From chemical structure to food authenticity

    Directory of Open Access Journals (Sweden)

    Segre, Annalaura

    2002-03-01

    Full Text Available Nuclear magnetic resonance (NMR is a powerful technique able to give us a relevant contribution in food analysis. In this review, some practical aspects of this technique (sample preparation, acquisition time, relaxation delay, etc as well as some methods of spectral assignment of the spectra (2D and 1D selective technique are reported. Some examples of NMR quantitative analyses are reported. In particular, the results relative to the NMR study of olive oils are discussed, among these: the comparison between conventional analyses and the NMR analysis in the olive oil characterization; the NMR determination of minor components such as squalene, cyclo-arthenol and chlorophyll in olive oil; the panel test and its relationship with NMR data; the geographical characterization of olive oils.La resonancia magnética nuclear (RMN es una técnica poderosa capaz de generar una contribución relevante en análisis de alimentos. En esta revisión, se describen algunos aspectos prácticos de la técnica (preparación de la muestra, tiempo de adquisición, retraso en la relajación, etc junto con algunos métodos espectrales de asignación del espectro (técnicas selectivas 2D y 1D. También se describen algunos ejemplos del análisis cuantitativo. En particular, se discuten los resultados relativos al estudio RMN de los aceites de oliva, entre estos: la comparación entre los análisis convencionales y los análisis por RMN en la caracterización del aceite de oliva; la determinación de componentes menores del aceite de oliva, como el escualeno, cicloartenol y clorofilas; el panel sensorial y su relación con los datos de RMN; y la caracterización geográfica de los aceites de oliva.

  20. Homometallic and Heterometallic Antiferromagnetic Rings: Magnetic Properties Studied by Nuclear Magnetic Resonance

    Energy Technology Data Exchange (ETDEWEB)

    Casadei, Cecilia [Univ. of Pavia (Italy)

    2011-01-01

    The aim of the present thesis is to investigate the local magnetic properties of homometallic Cr8 antiferromagnetic (AFM) ring and the changes occurring by replacing one Cr3+ ion with diamagnetic Cd2+ (Cr7Cd) and with Ni2+ (Cr7Ni). In the heterometallic ring a redistribution of the local magnetic moment is expected in the low temperature ground state. We have investigated those changes by both 53Cr-NMR and 19F-NMR. We have determined the order of magnitude of the transferred hyperfine coupling constant 19F - M+ where M+ = Cr3+, Ni2+ in the different rings. This latter result gives useful information about the overlapping of the electronic wavefunctions involved in the coordinative bond.

  1. Effectiveness of ultrasound, computed tomography, hepatobiliary scintigraphy and nuclear magnetic resonance in diseases of the gallbladder and bile ducts

    Energy Technology Data Exchange (ETDEWEB)

    Fiegler, W.; Schoerner, W.; Felix, R.

    1984-09-01

    The effectiveness of ultrasound, computed tomography, hepatobiliary scintigraphy and nuclear magnetic resonance in diseases of the biliary tract is described. Ultrasound should be the first examination in clinical suspicion of cholelithiasis and has a higher accuracy than oral cholecystography. Computed tomography is very expensive and should be carried out in suspected gallbladder carcinoma, cholecystitis with abscess formation, tumour in the porta hepatis and pancreatic head and in sonographically unclear cases. Nuclear magnetic resonance can determine the ability of the gallbladder to concentrate bile. Ultrasound can distinguish with high accuracy between obstructive and inflammatory jaundice. In clinical suspicion of bile duct lesions an infusion cholangiogram must be carried out, if bilirubin is lower than 5 mg%; if bilirubin is higher, an ERC or PTC should be performed. If in biliary obstruction a suspicion of tumour in porta hepatis or head of the pancreas is present, computed tomography should be effected.

  2. 31P nuclear magnetic resonance studies of effects of some chlorophenols on Escherichia coli and a pentachlorophenol-degrading bacterium.

    OpenAIRE

    Steiert, J G; Thoma, W J; Ugurbil, K; Crawford, R L

    1988-01-01

    A Flavobacterium sp. that mineralizes pentachlorophenol degrades some, but not all, of the other chlorinated phenols. Whole-cell 31P nuclear magnetic resonance was used to compare and observe transmembrane pH gradients and nucleotide pools in the Flavobacterium sp. and Escherichia coli after pentachlorophenol and 3,4,5-trichlorophenol were added to the cell suspensions. The data suggest that those chlorinated phenols which are not degraded by the Flavobacterium sp. may be resistant to degrada...

  3. Double Nuclear Magnetic Resonance and Crystal Chemistry at the Lattice Positions of Diamagnetic Atoms, Both Structural, and Foreign

    NARCIS (Netherlands)

    Shchepkin, V.D.; Vainshtein, D.I.; Dautov, R.A.; Vinokurov, V.M.

    1980-01-01

    Double nuclear magnetic resonance (DNMR) with Jeener's pulsed sequence on proton and fluorine frequencies was used to investigate the electric quadrupole interactions of (i) 23Na in Na2Cd(SO4)2·2H2O, B20=±218.5±1 kHz, B22=±98±5 kHz, (ii) of 23Na, which enter the crystal, CaF2:Na+ (0.07 wt. %) B20=±8

  4. Energetics of acute pressure overload of the porcine right ventricle. In vivo 31P nuclear magnetic resonance.

    OpenAIRE

    Schwartz, G G; Steinman, S; Garcia, J.; Greyson, C; Massie, B; Weiner, M W

    1992-01-01

    In vivo 31P nuclear magnetic resonance (NMR) spectroscopy of the right ventricular (RV) free wall was employed to determine (a) whether phosphorus energy metabolites vary reciprocally with workload in the RV and (b) the mechanisms that limit RV contractile function in acute pressure overload. In 20 open-chest pigs, phosphocreatine (PCr)/ATP ratio (an index of energy metabolism inversely related to free ADP concentration), myocardial blood flow (microspheres), and segment shortening (sonomicro...

  5. Development of a Single-Sided Nuclear Magnetic Resonance Scanner for the In Vivo Quantification of Live Cattle Marbling

    OpenAIRE

    Nakashima, Yoshito

    2015-01-01

    Non-invasive in vivo marbling quantification helps owners to choose the optimum nutritional management for growing cattle and buyers to more precisely evaluate grown cattle at auctions. When using time-domain proton nuclear magnetic resonance (NMR) relaxometry, it is possible to quantify muscle and fat separately by taking advantage of the difference in the spin–spin relaxation time (T2) between water molecules in muscles and fat molecules, which would contribute to the non-invasive and objec...

  6. Chemical structural studies of natural lignin by dipolar dephasing solid-state 13C nuclear magnetic resonance

    Science.gov (United States)

    Hatcher, P.G.

    1987-01-01

    Two natural lignins, one from a gymnosperm wood the other from angiosperm wood, were examined by conventional solid-state and dipolar dephasing 13C nuclear magnetic resonance (NMR) techniques. The results obtained from both techniques show that the structure of natural lignins is consistent with models of softwood and hardwood lignin. The dipolar dephasing NMR data provide a measure of the degree of substitution on aromatic rings which is consistent with the models. ?? 1987.

  7. Nuclear Magnetic Resonance Implemenations of Remote State Preparation of Arbitary Longitudinal Qubit and Remote State Measurement of a Qubit

    OpenAIRE

    Peng, Xinhua; Zhu, Xiwen; Liu, Maili; Gao, Kelin

    2002-01-01

    A qubit chosen from equatorial or polar great circles on a Bloch sphere can be remotely prepared with an Einstain-Podolsky-Rosen (EPR) state shared and a cbit communication. We generalize this protocal into an arbitrary longitudinal qubit on the Bloch sphere in which the azimuthal angle phi can be an arbitrary value instead of only being zero. The generalized scheme was experimentally realized using liquid-state nuclear magnetic resonance (NMR) techniques. Also, we have experimentally demonst...

  8. Solution structure of human insulin-like growth factor 1: A nuclear magnetic resonance and restrained molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Cooke, R.M.; Harvey, T.S.; Campbell, I.D. (Univ. of Oxford (England))

    1991-06-04

    The solution structure of human insulin-like growth factor 1 has been investigated with a combination of nuclear magnetic resonance and restrained molecular dynamics methods. The results show that the solution structure is similar to that of insulin, but minor differences exist. The regions homologous to insulin are well-defined, while the remainder of the molecular exhibits greater disorder. The resultant structures have been used to visualize the sites for interaction with a number of physiologically important protein.

  9. Solution structure of human insulin-like growth factor 1: A nuclear magnetic resonance and restrained molecular dynamics study

    International Nuclear Information System (INIS)

    The solution structure of human insulin-like growth factor 1 has been investigated with a combination of nuclear magnetic resonance and restrained molecular dynamics methods. The results show that the solution structure is similar to that of insulin, but minor differences exist. The regions homologous to insulin are well-defined, while the remainder of the molecular exhibits greater disorder. The resultant structures have been used to visualize the sites for interaction with a number of physiologically important protein

  10. 23Na-nuclear magnetic resonance investigation of gramicidin-induced ion transport through membranes under equilibrium conditions.

    OpenAIRE

    Buster, D C; Hinton, J F; Millett, F S; Shungu, D C

    1988-01-01

    A technique for investigating the gramicidin-facilitated transport of Na+ ions across lipid bilayers of large unilamellar vesicles under the condition of ionic equilibrium has been developed using a combination of heat incubation of the gramicidin with the vesicles and 23Na-nuclear magnetic resonance (NMR) spectroscopy. Isolation of the two 23Na-NMR signals from the intra- and extravesicular Na+ with the shift reagent, dysprosium (III) tripolyphosphate, allows the equilibrium flux of Na+ thro...

  11. Development of Nuclear Magnetic Resonance Pulse Sequences and Probes to Study Biomacromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Cosman, M; Krishnan, V V; Maxwell, R

    2001-02-26

    The determination of the three dimensional structures at high resolution of biomolecules, such as proteins and nucleic acids, enables us to understand their function at the molecular level. At the present time, there are only two methods available for determining such structures, nuclear magnetic resonance (NMR) spectroscopy and X-ray diffraction. Compared to well-established X-ray diffraction techniques, NMR methodology is relatively new and has many areas in which improvement can still be attained. In this project, we focused on the development of new NMR probes and pulse sequences that were tailored to tackle specific problems that are not adequately addressed by current technology. Probes are the hardware that contain the radio frequency (RF) circuitry used to both excite and detect the NMR signals. Pulse sequences are composed of a series of RF pulses and delays, which are applied to the sample held within the magnetic field by the probe, so as to manipulate the nuclear spins. Typically, a probe is developed for a specific set of nuclei and types of experiments and the pulse sequences are then written to use the probe in an optimal manner. In addition, the inter-development of instrumentation and methods are determined by the specific biological question to be examined. Thus our efforts focused on addressing an area of importance in NMR Structural Biology namely more effective ways to use the phosphorus ({sup 31}P) nucleus. Phosphorus is a very important biological element that is strategically located in nucleic acids, where it imparts negative charge and flexibility to RNA and DNA. It is also a component of the cellular membrane and thus interacts with membrane proteins. It is used in mechanisms to signal, activate or deactivate enzymes; and participates in energy storage and release. However, the phosphorus nucleus exhibits certain properties, such as poor spectral dispersion, low sensitivity of detection, and fast relaxation, which limit its effective use

  12. Slimhole Nuclear Magnetic Resonance Logging While Drilling - A New Service for the Oil Industry

    Science.gov (United States)

    Kurz, Gerhard; Thern, Holger; Blanz, Martin; Kruspe, Thomas

    2010-05-01

    A 6.75 inch tool size was previously thought to be the smallest size in which a Nuclear Magnetic Resonance (NMR) measurement could be made in Logging While Drilling (LWD) applications. Requests from the industry, especially in more complex and deeper environments, presented a need for NMR technology in a 4.75 inch tool size. To meet that need we have made changes in both the electronics and the mechanical design. Recent measurements show that the data quality from the smaller tool is comparable to that from the well established 6.75 in tool. The capability to cover a wide hole size range with NMR is an important step to establish this technology as a standard formation evaluation measurement. The sensitive volume is a 0.7 liter toroid encircling the centralized 4.75 in tool having a nominal diameter of 9.5 inch. The vertical resolution is similar for both tool sizes and depending, amongst other things, on the rate of penetration and running average. The tool concept consequently avoids motion artifacts and enables the tool to measure T2 echo trains. This is especially important in while-drilling applications, where the drill string dynamics often causes tool motion relative to the formation. A low magnetic field gradient of 2.5 Gauss/cm, a short inter-echo time of 0.6 ms, and optimized drillstring stabilization are paramount for this concept. Mud pulse telemetry has been considered to be a bottleneck for LWD NMR data for a long time. An additional feature introduced with the new slimhole NMR LWD is the transmission of whole echo-trains in compressed data format. The possibility of sending compressed NMR data uphole via mud pulse telemetry can provide complete petrophysical information in real-time. This supports quick decisions while drilling, and is important in reducing drilling costs. Reliable answers for a variety of client objectives like tar detection, viscosity estimation, and porosity measurements have already been successfully provided. In case histories

  13. Acoustic resonance phase locked photoacoustic spectrometer

    Science.gov (United States)

    Pilgrim, Jeffrey S.; Bomse, David S.; Silver, Joel A.

    2003-08-19

    A photoacoustic spectroscopy method and apparatus for maintaining an acoustic source frequency on a sample cell resonance frequency comprising: providing an acoustic source to the sample cell to generate a photoacoustic signal, the acoustic source having a source frequency; continuously measuring detection phase of the photoacoustic signal with respect to source frequency or a harmonic thereof; and employing the measured detection phase to provide magnitude and direction for correcting the source frequency to the resonance frequency.

  14. Simultaneous measurement of resistively and optically detected nuclear magnetic resonance in the ν =2 /3 fractional quantum Hall regime

    Science.gov (United States)

    Akiba, Keiichirou; Nagase, Katsumi; Hirayama, Yoshiro

    2016-08-01

    We observe nuclear magnetic resonance (NMR) in the fractional quantum Hall regime at the Landau-level filling factor of ν =2 /3 from simultaneous measurement of longitudinal resistance and photoluminescence (PL). The dynamic nuclear-spin polarization is induced by applying a huge electronic current at the spin phase transition point of ν =2 /3 . The NMR spectra obtained from changes in resistance and PL intensity are qualitatively the same; that is, the Knight-shift (spin-polarized region) and zero-shift (spin-unpolarized region) resonances are observed in both. The observed change in PL intensity is interpreted as a consequence of the trion scattering induced by polarized nuclear spins. We conclude that both detection methods probe almost the same local phenomena.

  15. Functional imaging of plants: A nuclear magnetic resonance study of a cucumber plant

    NARCIS (Netherlands)

    Scheenen, T.; Heemskerk, A.; Jager, de A.; Vergeldt, F.J.; As, van H.

    2002-01-01

    Functional magnetic resonance imaging was used to study transients of biophysical parameters in a cucumber plant in response to environmental changes. Detailed flow imaging experiments showed the location of xylem and phloem in the stem and the response of the following flow characteristics to the i

  16. Acoustic resonance for nonmetallic mine detection

    Energy Technology Data Exchange (ETDEWEB)

    Kercel, S.W.

    1998-04-01

    The feasibility of acoustic resonance for detection of plastic mines was investigated by researchers at the Oak Ridge National Laboratory`s Instrumentation and Controls Division under an internally funded program. The data reported in this paper suggest that acoustic resonance is not a practical method for mine detection. Representative small plastic anti-personnel mines were tested, and were found to not exhibit detectable acoustic resonances. Also, non-metal objects known to have strong acoustic resonances were tested with a variety of excitation techniques, and no practical non-contact method of exciting a consistently detectable resonance in a buried object was discovered. Some of the experimental data developed in this work may be useful to other researchers seeking a method to detect buried plastic mines. A number of excitation methods and their pitfalls are discussed. Excitation methods that were investigated include swept acoustic, chopped acoustic, wavelet acoustic, and mechanical shaking. Under very contrived conditions, a weak response that could be attributed to acoustic resonance was observed, but it does not appear to be practical as a mine detection feature. Transfer properties of soil were investigated. Impulse responses of several representative plastic mines were investigated. Acoustic leakage coupling, and its implications as a disruptive mechanism were investigated.

  17. The Effect of Electronic Paramagnetism on Nuclear Magnetic Resonance Frequencies in Metals

    Science.gov (United States)

    Townes, C. H.; Herring, C.; Knight, W. D.

    1950-09-22

    Observations on the shifts of nuclear resonances in metals ( Li{sup 7}, Na{sup 23}, Cu {sup 63}, Be{sup 9}, Pb{sup 207}, Al{sup 27}, and Ca{sup 69} ) due to free electron paramagnetism; comparison with theoretical values.

  18. Maintenance of high-energy brain phosphorous compounds during insulin-induced hypoglycemia in men. 31P nuclear magnetic resonance spectroscopy study

    DEFF Research Database (Denmark)

    Hilsted, Jannik; Jensen, K E; Thomsen, C;

    1988-01-01

    31P nuclear magnetic resonance (NMR) spectroscopy allows noninvasive studies of cerebral energy-rich phosphorous compounds in humans. In an attempt to characterize the relationship between peripheral blood glucose concentrations and whole-brain phosphate metabolism during insulin...

  19. Nitrite fixation by humic substances: Nitrogen-15 nuclear magnetic resonance evidence for potential intermediates in chemodenitrification

    Science.gov (United States)

    Thorn, K.A.; Mikita, M.A.

    2000-01-01

    Studies have suggested that NO2/-, produced during nitrification and denitrification, can become incorporated into soil organic matter and, in one of the processes associated with chemodenitrification, react with organic matter to form trace N gases, including N2O. To gain an understanding of the nitrosation chemistry on a molecular level, soil and aquatic humic substances were reacted with 15N-labeled NaNO2, and analyzed by liquid phase 15N and 13C nuclear magnetic resonance (NMR). The International Humic Substances Society (IHSS) Pahokee peat and peat humic acid were also reacted with Na15NO2 and analyzed by solid-state 15N NMR. In Suwannee River, Armadale, and Laurentian fulvic acids, phenolic rings and activated methylene groups underwent nitrosation to form nitrosophenols (quinone monoximes) and ketoximes, respectively. The oximes underwent Beckmann rearrangements to 2??amides, and Beckmann fragmentations to nitriles. The nitriles in turn underwent hydrolysis to 1??amides. Peaks tentatively identified as imine, indophenol, or azoxybenzene nitrogens were clearly present in spectra of samples nitrosated at pH 6 but diminished at pH 3. The 15N NMR spectrum of the peat humic acid exhibited peaks corresponding with N-nitroso groups in addition to nitrosophenols, ketoximes, and secondary Beckmann reaction products. Formation of N-nitroso groups was more significant in the whole peat compared with the peat humic acid. Carbon-13 NMR analyses also indicated the occurrence of nitrosative demethoxylation in peat and soil humic acids. Reaction of 15N-NH3 fixated fulvic acid with unlabeled NO2/- resulted in nitrosative deamination of aminohydroquinone N, suggesting a previously unrecognized pathway for production of N2 gas in soils fertilized with NH3.Studies have suggested that NO2-, produced during nitrification and denitrification, can become incorporated into soil organic matter and, in one of the processes associated with chemodenitrification, react with organic

  20. Acoustic transparency and slow sound using detuned acoustic resonators

    DEFF Research Database (Denmark)

    Santillan, Arturo Orozco; Bozhevolnyi, Sergey I.

    2011-01-01

    We demonstrate that the phenomenon of acoustic transparency and slowsound propagation can be realized with detuned acoustic resonators (DAR), mimicking thereby the effect of electromagnetically induced transparency (EIT) in atomic physics. Sound propagation in a pipe with a series of side...

  1. 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).

  2. Three dimensional nuclear magnetic resonance spectroscopic imaging of sodium ions using stochastic excitation and oscillating gradients

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance (NMR) spectroscopic imaging of 23Na holds promise as a non-invasive method of mapping Na+ distributions, and for differentiating pools of Na+ ions in biological tissues. However, due to NMR relaxation properties of 23Na in vivo, a large fraction of Na+ is not visible with conventional NMR imaging methods. An alternate imaging method, based on stochastic excitation and oscillating gradients, has been developed which is well adapted to measuring nuclei with short T2. Contemporary NMR imaging techniques have dead times of up to several hundred microseconds between excitation and sampling, comparable to the shortest in vivo 23Na T2 values, causing significant signal loss. An imaging strategy based on stochastic excitation has been developed which greatly reduces experiment dead time by reducing peak radiofrequency (RF) excitation power and using a novel RF circuit to speed probe recovery. Continuously oscillating gradients are used to eliminate transient eddy currents. Stochastic 1H and 23Na spectroscopic imaging experiments have been performed on a small animal system with dead times as low as 25μs, permitting spectroscopic imaging with 100% visibility in vivo. As an additional benefit, the encoding time for a 32x32x32 spectroscopic image is under 30 seconds. The development and analysis of stochastic NMR imaging has been hampered by limitations of the existing phase demodulation reconstruction technique. Three dimensional imaging was impractical due to reconstruction time, and design and analysis of proposed experiments was limited by the mathematical intractability of the reconstruction method. A new reconstruction method for stochastic NMR based on Fourier interpolation has been formulated combining the advantage of a several hundredfold reduction in reconstruction time with a straightforward mathematical form

  3. A proton nuclear magnetic resonance-based metabonomics study of metabolic profiling in immunoglobulin a nephropathy

    Energy Technology Data Exchange (ETDEWEB)

    Sui, Weiguo; Che, Wenti; Guimai, Zuo; Chen, Jiejing [181st Hospital Guangxi, Central Laboratory, Laboratory of Metabolic Diseases Research, Guangxi Province (China); Li, Liping [Guangxi Normal University, The Life Science College, Guangxi Province (China); Li, Wuxian [Key Laboratory of Laboratory Medical Diagnostics of Education Ministry, Chongqiong Medical University, Chongqing (China); Dai, Yong [Clinical Medical Research Center, the Second Clinical Medical College of Jinan University (Shenzhen People' s Hospital), Shenzhen, Guangdong Province (China)

    2012-07-01

    Objectives: Immunoglobulin A nephropathy is the most common cause of chronic renal failure among primary glomerulonephritis patients. The ability to diagnose immunoglobulin A nephropathy remains poor. However, renal biopsy is an inconvenient, invasive, and painful examination, and no reliable biomarkers have been developed for use in routine patient evaluations. The aims of the present study were to identify immunoglobulin A nephropathy patients, to identify useful biomarkers of immunoglobulin A nephropathy and to establish a human immunoglobulin A nephropathy metabolic profile. Methods: Serum samples were collected from immunoglobulin A nephropathy patients who were not using immunosuppressants. A pilot study was undertaken to determine disease-specific metabolite biomarker profiles in three groups: healthy controls (N = 23), low-risk patients in whom immunoglobulin A nephropathy was confirmed as grades I-II by renal biopsy (N = 23), and high-risk patients with nephropathies of grades IV-V (N = 12). Serum samples were analyzed using proton nuclear magnetic resonance spectroscopy and by applying multivariate pattern recognition analysis for disease classification. Results: Compared with the healthy controls, both the low-risk and high-risk patients had higher levels of phenylalanine, myo-inositol, lactate, L6 lipids ( CH-CH{sub 2}-CH = O), L5 lipids (-CH{sub 2}-C = O), and L3 lipids (-CH{sub 2}-CH{sub 2}-C = O) as well as lower levels of {beta}-glucose, {alpha}-glucose, valine, tyrosine, phosphocholine, lysine, isoleucine, glycerolphosphocholine, glycine, glutamine, glutamate, alanine, acetate, 3-hydroxybutyrate, and 1-methylhistidine. Conclusions: These metabolites investigated in this study may serve as potential biomarkers of immunoglobulin A nephropathy. Point scoring of pattern recognition analysis was able to distinguish immunoglobulin A nephropathy patients from healthy controls. However, there were no obvious differences between the low-risk and high

  4. Relations between radiobiological hypoxia and nuclear magnetic resonance-imaged blood microcirculation in experimental tumors

    International Nuclear Information System (INIS)

    Characteristics of hypoxic cells subjected to radiation were investigated and compared with those of microcirculation for two murine fibrosarcomas growing in C3H mice. Small NFSa tumors, growing in air-breathing mice, developed a radioresistant tail on the survival curve. The tail was indistinguishably parallel to a survival curve for an artificially hypoxic tumor. As the NFSa tumors increased in size, the hypoxic tail moved upward with no change of Do, resulting in increase of hypoxic fraction from 3.9% to 40%. The R1137 tumors had no radioresistant tail nor hypoxic fraction regardless of tumor size. However, large-sized R1137 tumors developed a significant number of radioresistant, hypoxic cells with an intermediate Do, and were effectively sensitized by administrating misonidazole before irradiation. Thus, the NFSa tumors were fractionally hypoxic, and the large R1137 tumors had intermediate hypoxia. Measurement of tumor microcirculation by gadolinium-enhanced nuclear magnetic resonance indicated that both blood flow and blood volume decreased significantly when the NFSa tumor grew large. Similar reduction in these microcirculation parameters was also observed for the R1137 tumor. The small-sized NFSa tumor had relatively larger blood volume and faster blood flow than the small-sized R1137 tumor. When large-sized tumors were compared to each other, the NFSa again had better blood flow than the R1137. However, the blood volume in the large-sized tumors was significantly (p<0.05) smaller for the NFSa tumor than for the R1137 tumor. It was concluded that blood flow could not be a single determinant for tumor hypoxia, and the difference between fractional hypoxia and intermediate hypoxia would be reflected in the ratio of blood flow to blood volume. (author)

  5. Nuclear magnetic resonance analysis of the solution and solvolysis of sulfur mustard in deuterium oxide.

    Science.gov (United States)

    Logan, Thomas P; Sartori, David A

    2003-01-01

    Our laboratory performs in vitro experiments in which cell cultures are exposed to sulfur mustard (HD) to investigate the toxicity of this agent of chemical warfare. To perform these experiments, it is important to know the rate of hydrolysis of HD in order to calculate the concentrations of HD and its hydrolysis products during the experiment. Researchers have previously investigated the kinetics and mechanism of the hydrolysis of HD using a variety of methods. In the present study, we used nuclear magnetic resonance (NMR) spectroscopy and gas chromatography/mass spectrometry (GC/MS) to investigate HD's dissolution and solvolysis in deuterium oxide (D 2 O) at 2 mM. We followed activity in proton spectrums and determined the half-life (t 1/2) of HD to be 7.0 +/- 0.5 min in four experiments performed at 22 degrees C. In addition, we determined the t 1/2 of HD in D 2 O containing 0.17 M sodium chloride to be 24 +/- 1 min in three experiments performed at 22 degrees C. As further proof of the existence of HD dissolved into D 2 O, deutero-hexane was used to extract the D 2 O HD solution. The resulting deutero-hexane solution was studied by 1 H NMR and GC/MS. The results obtained match those received from a standard deutero-hexane HD solution. These results demonstrate that HD can be identified in D 2 O with proton NMR and that proton NMR data can be used to monitor the subsequent solvolysis of HD. PMID:20021164

  6. Amyloids in solid-state nuclear magnetic resonance: potential causes of the usually low resolution

    Directory of Open Access Journals (Sweden)

    Espargaró A

    2015-11-01

    Full Text Available Alba Espargaró, Maria Antònia Busquets, Joan Estelrich, Raimon Sabate Department of Physical Chemistry, School of Pharmacy, Institute of Nanoscience and Nanotechnology (IN2UB, University of Barcelona, Barcelona, Spain Abstract: Amyloids are non-crystalline and insoluble, which imply that the classical structural biology tools, ie, X-ray crystallography and solution nuclear magnetic resonance (NMR, are not suitable for their analysis. In the last years, solid-state NMR (ssNMR has emerged as an alternative tool to decrypt the structural signatures of amyloid fibrils, providing major contributions to our understanding of molecular structures of amyloids such as β-amyloid peptide associated with Alzheimer’s disease or fungal prions, among others. Despite this, the wide majority of amyloid fibrils display low resolution by ssNMR. Usually, this low resolution has been attributed to a high disorder or polymorphism of the fibrils, suggesting the existence of diverse elementary β-sheet structures. Here, we propose that a single β-sheet structure could be responsible for the broadening of the line widths in the ssNMR spectra. Although the fibrils and fibers consist of a single elementary structure, the angle of twist of each individual fibril in the mature fiber depends on the number of individual fibrils as well as the fibril arrangement in the final mature fiber. Thus, a wide range of angles of twist could be observed in the same amyloid sample. These twist variations involve changes in amino acid alignments that could be enough to limit the ssNMR resolution. Keywords: amyloid, fibril, misfolding, β-structure, ssNMR, NMR, β-sheet

  7. Inlfuence of Hemolysis on Analytic Results of Nuclear Magnetic Resonance-based Metabonomics

    Institute of Scientific and Technical Information of China (English)

    LIU Qiao

    2015-01-01

    Objective:To explore the changes of small molecular metabolites and their content in plasma samples due to hemolysis so as to analyze the influence of hemolysis of plasma samples on metabonomic study. Methods: Healthy adult males undergoing physical examination without drug administration history in recent period were selected to collect 10 hemolytic plasma samples and 10 hemolysis-free samples from them. Spectrograms of hydrogen nuclear magnetic resonance (1H-NMR) were collected and Carr-Purcell-Meiboom-Gill (CPMG) pulse sequence was used to inhibit the production of broad peak by protein and lipid, and SIMCA-P+12.0 software was applied to conduct mode recognition and Pearson correlation analysis. Results: CPMG-1H NMR plasma metabolism spectrums showed that compared with hemolysis-free samples, hemolytic samples were evidently higher in the contents of acetate, acetone and pyruvic acid, but markedly lower in that of glucose. In addition, the chemical shift of glycine-CH2 in hemolysis group moved to the lower ifeld. Orthogonal partial least-square discriminant analysis (OPLS-DA) was further applied to initiate mode recognition analysis and the results demonstrated that hemolysis group was prominently higher in the contents of metabolites, such as leucine, valine, lysine, acetate, proline, acetone, pyruvic acid, creatine, creatinine, glycine, glycerol, serine and lactic acid, but obviously lower in the contents of isoleucine and glucose than hemolysis-free group. Pearson correlation analysis indicated that in hemolytic samples, the contents of eucine, valine, lysine, proline, N-acetyl-glycoprotein, creatine, creatinine, glycerol and serine were higher but that of isoleucine was lower. Conclusion: Hemolysis can lead to the changes of multiple metabolite content and inlfuence the analytic results of metabonomics, so in practical operation, hemolytic samples should be excluded from the study.

  8. Characterisation of human embryonic stem cells conditioning media by 1H-nuclear magnetic resonance spectroscopy.

    Directory of Open Access Journals (Sweden)

    David A MacIntyre

    Full Text Available BACKGROUND: Cell culture media conditioned by human foreskin fibroblasts (HFFs provide a complex supplement of protein and metabolic factors that support in vitro proliferation of human embryonic stem cells (hESCs. However, the conditioning process is variable with different media batches often exhibiting differing capacities to maintain hESCs in culture. While recent studies have examined the protein complement of conditioned culture media, detailed information regarding the metabolic component of this media is lacking. METHODOLOGY/PRINCIPAL FINDINGS: Using a (1H-Nuclear Magnetic Resonance ((1H-NMR metabonomics approach, 32 metabolites and small compounds were identified and quantified in media conditioned by passage 11 HFFs (CMp11. A number of metabolites were secreted by HFFs with significantly higher concentration of lactate, alanine, and formate detected in CMp11 compared to non-conditioned media. In contrast, levels of tryptophan, folate and niacinamide were depleted in CMp11 indicating the utilisation of these metabolites by HFFs. Multivariate statistical analysis of the (1H-NMR data revealed marked age-related differences in the metabolic profile of CMp11 collected from HFFs every 24 h over 72 h. Additionally, the metabolic profile of CMp11 was altered following freezing at -20°C for 2 weeks. CM derived from passage 18 HFFs (CMp18 was found to be ineffective at supporting hESCs in an undifferentiated state beyond 5 days culture. Multivariate statistical comparison of CMp11 and CMp18 metabolic profiles enabled rapid and clear discrimination between the two media with CMp18 containing lower concentrations of lactate and alanine as well as higher concentrations of glucose and glutamine. CONCLUSIONS/SIGNIFICANCE: (1H-NMR-based metabonomics offers a rapid and accurate method of characterising hESC conditioning media and is a valuable tool for monitoring, controlling and optimising hESC culture media preparation.

  9. Dynamics of asymmetric binary glass formers. I. A dielectric and nuclear magnetic resonance spectroscopy study

    Energy Technology Data Exchange (ETDEWEB)

    Kahlau, R.; Bock, D.; Schmidtke, B.; Rössler, E. A., E-mail: ernst.roessler@uni-bayreuth.de [Experimentalphysik II, Universität Bayreuth, 95440 Bayreuth (Germany)

    2014-01-28

    Dielectric spectroscopy as well as {sup 2}H and {sup 31}P nuclear magnetic resonance spectroscopy (NMR) are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene (PS/PS-d{sub 3}) in the full concentration (c{sub TPP}) range. In addition, depolarized light scattering and differential scanning calorimetry experiments are performed. Two glass transition temperatures are found: T{sub g1}(c{sub TPP}) reflects PS dynamics and shows a monotonic plasticizer effect, while the lower T{sub g2}(c{sub TPP}) exhibits a maximum and is attributed to (faster) TPP dynamics, occurring in a slowly moving or immobilized PS matrix. Dielectric spectroscopy probing solely TPP identifies two different time scales, which are attributed to two sub-ensembles. One of them, again, shows fast TPP dynamics (α{sub 2}-process), the other (α{sub 1}-process) displays time constants identical with those of the slow PS matrix. Upon heating the α{sub 1}-fraction of TPP decreases until above some temperature T{sub c} only a single α{sub 2}-population exists. Inversely, below T{sub c} a fraction of the TPP molecules is trapped by the PS matrix. At low c{sub TPP} the α{sub 2}-relaxation does not follow frequency-temperature superposition (FTS), instead it is governed by a temperature independent distribution of activation energies leading to correlation times which follow Arrhenius laws, i.e., the α{sub 2}-relaxation resembles a secondary process. Yet, {sup 31}P NMR demonstrates that it involves isotropic reorientations of TPP molecules within a slowly moving or rigid matrix of PS. At high c{sub TPP} the super-Arrhenius temperature dependence of τ{sub 2}(T), as well as FTS are recovered, known as typical of the glass transition in neat systems.

  10. Surface Nuclear Magnetic Resonance (SNMR - A new method for exploration of ground water and aquifer properties

    Directory of Open Access Journals (Sweden)

    U. Yaramanci

    2000-06-01

    Full Text Available The Surface Nuclear Magnetic Resonance (SNMR method is a fairly new technique in geophysics to assess ground water, i.e. existence, amount and productibility by measurements at the surface. The NMR technique used in medicine, physics and lately in borehole geophysics was adopted for surface measurements in the early eighties, and commercial equipment for measurements has been available since the mid nineties. The SNMR method has been tested at sites in Northern Germany with Quaternary sand and clay layers, to examine the suitability of this new method for groundwater exploration and environmental investigations. More information is obtained by SNMR, particularly with respect to aquifer parameters, than with other geophysical techniques. SNMR measurements were carried out at three borehole locations, together with 2D and 1D direct current geoelectrics and well logging (induction log, gamma-ray log and pulsed neutron-gamma log. Permeabilities were calculated from the grain-size distributions of core material determined in the laboratory. It is demonstrated that the SNMR method is able to detect groundwater and the results are in good agreement with other geophysical and hydrogeological data. Using the SNMR method, the water content of the unsaturated and saturated zones (i.e. porosity of an aquifer can be reliably determined. This information and resistivity data permit in-situ determination of other aquifer parameters. Comparison of the SNMR results with borehole data clearly shows that the water content determined by SNMR is the free or mobile water in the pores. The permeabilities estimated from the SNMR decay times are similar to those derived from sieve analysis of core material. Thus, the combination of SNMR with geoelectric methods promises to be a powerful tool for studying aquifer properties.

  11. Nuclear magnetic resonance-based metabolomics for prediction of gastric damage induced by indomethacin in rats

    Energy Technology Data Exchange (ETDEWEB)

    Um, So Young [Department of Pharmacology, National Institute of Toxicological Research, Korea Food and Drug Administration, 643 Yeonje-ri, Gangoe-myeon, Cheongwon-gun, Chungbuk (Korea, Republic of); Division of Life and Pharmaceutical Science and College of Pharmacy, Ewha Womans University, 52 Ewahyeodae-gil, Seodaemun-gu, Seoul (Korea, Republic of); Park, Jung Hyun [Division of Life and Pharmaceutical Science and College of Pharmacy, Ewha Womans University, 52 Ewahyeodae-gil, Seodaemun-gu, Seoul (Korea, Republic of); Chung, Myeon Woo [Department of Pharmacology, National Institute of Toxicological Research, Korea Food and Drug Administration, 643 Yeonje-ri, Gangoe-myeon, Cheongwon-gun, Chungbuk (Korea, Republic of); Kim, Kyu-Bong [College of Pharmacy, Dankook University, Dandae-ro, Cheonan, Chungnam (Korea, Republic of); Kim, Seon Hwa [Department of Pharmacology, National Institute of Toxicological Research, Korea Food and Drug Administration, 643 Yeonje-ri, Gangoe-myeon, Cheongwon-gun, Chungbuk (Korea, Republic of); Division of Life and Pharmaceutical Science and College of Pharmacy, Ewha Womans University, 52 Ewahyeodae-gil, Seodaemun-gu, Seoul (Korea, Republic of); College of Pharmacy, Dankook University, Dandae-ro, Cheonan, Chungnam (Korea, Republic of); Choi, Ki Hwan, E-mail: hyokwa11@korea.kr [Department of Pharmacology, National Institute of Toxicological Research, Korea Food and Drug Administration, 643 Yeonje-ri, Gangoe-myeon, Cheongwon-gun, Chungbuk (Korea, Republic of); Lee, Hwa Jeong, E-mail: hwalee@ewha.ac.kr [Division of Life and Pharmaceutical Science and College of Pharmacy, Ewha Womans University, 52 Ewahyeodae-gil, Seodaemun-gu, Seoul (Korea, Republic of)

    2012-04-13

    Highlights: Black-Right-Pointing-Pointer NMR based metabolomics - gastric damage by indomethacin. Black-Right-Pointing-Pointer Pattern recognition analysis was performed to biomarkers of gastric damage. Black-Right-Pointing-Pointer 2-Oxoglutarate, acetate, taurine and hippurate were selected as putative biomarkers. Black-Right-Pointing-Pointer The gastric damage induced by NSAIDs can be screened in the preclinical step of drug. - Abstract: Non-steroidal anti-inflammatory drugs (NSAIDs) have side effects including gastric erosions, ulceration and bleeding. In this study, pattern recognition analysis of the {sup 1}H-nuclear magnetic resonance (NMR) spectra of urine was performed to develop surrogate biomarkers related to the gastrointestinal (GI) damage induced by indomethacin in rats. Urine was collected for 5 h after oral administration of indomethacin (25 mg kg{sup -1}) or co-administration with cimetidine (100 mg kg{sup -1}), which protects against GI damage. The {sup 1}H-NMR urine spectra were divided into spectral bins (0.04 ppm) for global profiling, and 36 endogenous metabolites were assigned for targeted profiling. The level of gastric damage in each animal was also determined. Indomethacin caused severe gastric damage; however, indomethacin administered with cimetidine did not. Simultaneously, the patterns of changes in their endogenous metabolites were different. Multivariate data analyses were carried out to recognize the spectral pattern of endogenous metabolites related to indomethacin using partial least square-discrimination analysis. In targeted profiling, a few endogenous metabolites, 2-oxoglutarate, acetate, taurine and hippurate, were selected as putative biomarkers for the gastric damage induced by indomethacin. These metabolites changed depending on the degree of GI damage, although the same dose of indomethacin (10 mg kg{sup -1}) was administered to rats. The results of global and targeted profiling suggest that the gastric damage induced by

  12. Absolute quantitative analysis for sorbic acid in processed foods using proton nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ohtsuki, Takashi, E-mail: ohtsuki@nihs.go.jp [National Institute of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501 (Japan); Sato, Kyoko; Sugimoto, Naoki; Akiyama, Hiroshi; Kawamura, Yoko [National Institute of Health Sciences, 1-18-1 Kamiyoga, Setagaya-ku, Tokyo 158-8501 (Japan)

    2012-07-13

    Highlights: Black-Right-Pointing-Pointer A method using qHNMR was applied and validated to determine SA in processed foods. Black-Right-Pointing-Pointer This method has good accuracy, precision, selectiveness, and linearity. Black-Right-Pointing-Pointer The proposed method is more rapid and simple than the conventional method. Black-Right-Pointing-Pointer We found that the proposed method is reliable for the accurate determination of SA. Black-Right-Pointing-Pointer This method can be used for the monitoring of SA in processed foods. - Abstract: An analytical method using solvent extraction and quantitative proton nuclear magnetic resonance (qHNMR) spectroscopy was applied and validated for the absolute quantification of sorbic acid (SA) in processed foods. The proposed method showed good linearity. The recoveries for samples spiked at the maximum usage level specified for food in Japan and at 0.13 g kg{sup -1} (beverage: 0.013 g kg{sup -1}) were larger than 80%, whereas those for samples spiked at 0.063 g kg{sup -1} (beverage: 0.0063 g kg{sup -1}) were between 56.9 and 83.5%. The limit of quantification was 0.063 g kg{sup -1} for foods (and 0.0063 g kg{sup -1} for beverages containing Lactobacillus species). Analysis of the SA content of commercial processed foods revealed quantities equal to or greater than those measured using conventional steam-distillation extraction and high-performance liquid chromatography quantification. The proposed method was rapid, simple, accurate, and precise, and provided International System of Units traceability without the need for authentic analyte standards. It could therefore be used as an alternative to the quantification of SA in processed foods using conventional method.

  13. Nuclear magnetic resonance-based metabolomics for prediction of gastric damage induced by indomethacin in rats

    International Nuclear Information System (INIS)

    Highlights: ► NMR based metabolomics – gastric damage by indomethacin. ► Pattern recognition analysis was performed to biomarkers of gastric damage. ► 2-Oxoglutarate, acetate, taurine and hippurate were selected as putative biomarkers. ► The gastric damage induced by NSAIDs can be screened in the preclinical step of drug. - Abstract: Non-steroidal anti-inflammatory drugs (NSAIDs) have side effects including gastric erosions, ulceration and bleeding. In this study, pattern recognition analysis of the 1H-nuclear magnetic resonance (NMR) spectra of urine was performed to develop surrogate biomarkers related to the gastrointestinal (GI) damage induced by indomethacin in rats. Urine was collected for 5 h after oral administration of indomethacin (25 mg kg−1) or co-administration with cimetidine (100 mg kg−1), which protects against GI damage. The 1H-NMR urine spectra were divided into spectral bins (0.04 ppm) for global profiling, and 36 endogenous metabolites were assigned for targeted profiling. The level of gastric damage in each animal was also determined. Indomethacin caused severe gastric damage; however, indomethacin administered with cimetidine did not. Simultaneously, the patterns of changes in their endogenous metabolites were different. Multivariate data analyses were carried out to recognize the spectral pattern of endogenous metabolites related to indomethacin using partial least square-discrimination analysis. In targeted profiling, a few endogenous metabolites, 2-oxoglutarate, acetate, taurine and hippurate, were selected as putative biomarkers for the gastric damage induced by indomethacin. These metabolites changed depending on the degree of GI damage, although the same dose of indomethacin (10 mg kg−1) was administered to rats. The results of global and targeted profiling suggest that the gastric damage induced by NSAIDs can be screened in the preclinical stage of drug development using a NMR based metabolomics approach.

  14. A proton nuclear magnetic resonance-based metabonomics study of metabolic profiling in immunoglobulin a nephropathy

    Directory of Open Access Journals (Sweden)

    Weiguo Sui

    2012-01-01

    Full Text Available OBJECTIVES: Immunoglobulin A nephropathy is the most common cause of chronic renal failure among primary glomerulonephritis patients. The ability to diagnose immunoglobulin A nephropathy remains poor. However, renal biopsy is an inconvenient, invasive, and painful examination, and no reliable biomarkers have been developed for use in routine patient evaluations. The aims of the present study were to identify immunoglobulin A nephropathy patients, to identify useful biomarkers of immunoglobulin A nephropathy and to establish a human immunoglobulin A nephropathy metabolic profile. METHODS: Serum samples were collected from immunoglobulin A nephropathy patients who were not using immunosuppressants. A pilot study was undertaken to determine disease-specific metabolite biomarker profiles in three groups: healthy controls (N = 23, low-risk patients in whom immunoglobulin A nephropathy was confirmed as grades I-II by renal biopsy (N = 23, and high-risk patients with nephropathies of grades IV-V (N = 12. Serum samples were analyzed using proton nuclear magnetic resonance spectroscopy and by applying multivariate pattern recognition analysis for disease classification. RESULTS: Compared with the healthy controls, both the low-risk and high-risk patients had higher levels of phenylalanine, myo-Inositol, lactate, L6 lipids ( = CH-CH2-CH = O, L5 lipids (-CH2-C = O, and L3 lipids (-CH2-CH2-C = O as well as lower levels of β -glucose, α-glucose, valine, tyrosine, phosphocholine, lysine, isoleucine, glycerolphosphocholine, glycine, glutamine, glutamate, alanine, acetate, 3-hydroxybutyrate, and 1-methylhistidine. CONCLUSIONS: These metabolites investigated in this study may serve as potential biomarkers of immunoglobulin A nephropathy. Point scoring of pattern recognition analysis was able to distinguish immunoglobulin A nephropathy patients from healthy controls. However, there were no obvious differences between the low-risk and high-risk groups in our

  15. Three dimensional nuclear magnetic resonance spectroscopic imaging of sodium ions using stochastic excitation and oscillating gradients

    Energy Technology Data Exchange (ETDEWEB)

    Frederick, B.deB. [California Univ., Berkeley, CA (United States)]|[Lawrence Berkeley Lab., CA (United States)

    1994-12-01

    Nuclear magnetic resonance (NMR) spectroscopic imaging of {sup 23}Na holds promise as a non-invasive method of mapping Na{sup +} distributions, and for differentiating pools of Na{sup +} ions in biological tissues. However, due to NMR relaxation properties of {sup 23}Na in vivo, a large fraction of Na{sup +} is not visible with conventional NMR imaging methods. An alternate imaging method, based on stochastic excitation and oscillating gradients, has been developed which is well adapted to measuring nuclei with short T{sub 2}. Contemporary NMR imaging techniques have dead times of up to several hundred microseconds between excitation and sampling, comparable to the shortest in vivo {sup 23}Na T{sub 2} values, causing significant signal loss. An imaging strategy based on stochastic excitation has been developed which greatly reduces experiment dead time by reducing peak radiofrequency (RF) excitation power and using a novel RF circuit to speed probe recovery. Continuously oscillating gradients are used to eliminate transient eddy currents. Stochastic {sup 1}H and {sup 23}Na spectroscopic imaging experiments have been performed on a small animal system with dead times as low as 25{mu}s, permitting spectroscopic imaging with 100% visibility in vivo. As an additional benefit, the encoding time for a 32x32x32 spectroscopic image is under 30 seconds. The development and analysis of stochastic NMR imaging has been hampered by limitations of the existing phase demodulation reconstruction technique. Three dimensional imaging was impractical due to reconstruction time, and design and analysis of proposed experiments was limited by the mathematical intractability of the reconstruction method. A new reconstruction method for stochastic NMR based on Fourier interpolation has been formulated combining the advantage of a several hundredfold reduction in reconstruction time with a straightforward mathematical form.

  16. Influence of Hemolysis on Analytic Results of Nuclear Magnetic Resonance-based Metabonomics

    Directory of Open Access Journals (Sweden)

    Qiao LIU

    2015-09-01

    Full Text Available Objective: To explore the changes of small molecular metabolites and their content in plasma samples due to hemolysis so as to analyze the influence of hemolysis of plasma samples on metabonomic study. Methods: Healthy adult males undergoing physical examination without drug administration history in recent period were selected to collect 10 hemolytic plasma samples and 10 hemolysis-free samples from them. Spectrograms of hydrogen nuclear magnetic resonance (1H-NMR were collected and Carr-Purcell-Meiboom-Gill (CPMG pulse sequence was used to inhibit the production of broad peak by protein and lipid, and SIMCA-P+12.0 software was applied to conduct mode recognition and Pearson correlation analysis.Results: CPMG-1H NMR plasma metabolism spectrums showed that compared with hemolysis-free samples, hemolytic samples were evidently higher in the contents of acetate, acetone and pyruvic acid, but markedly lower in that of glucose. In addition, the chemical shift of glycine-CH2 in hemolysis group moved to the lower field. Orthogonal partial least-square discriminant analysis (OPLS-DA was further applied to initiate mode recognition analysis and the results demonstrated that hemolysis group was prominently higher in the contents of metabolites, such as leucine, valine, lysine, acetate, proline, acetone, pyruvic acid, creatine, creatinine, glycine, glycerol, serine and lactic acid, but obviously lower in the contents of isoleucine and glucose than hemolysis-free group. Pearson correlation analysis indicated that in hemolytic samples, the contents of eucine, valine, lysine, proline, N-acetyl-glycoprotein, creatine, creatinine, glycerol and serine were higher but that of isoleucine was lower.Conclusion: Hemolysis can lead to the changes of multiple metabolite content and influence the analytic results of metabonomics, so in practical operation, hemolytic samples should be excluded from the study.

  17. Low-field nuclear magnetic resonance characterization of organic content in shales

    Science.gov (United States)

    Washburn, Kathryn E.; Birdwell, Justin E.; Seymour, Joseph D.; Kirkland, Catherine; Vogt, Sarah J.

    2013-01-01

    Low-field nuclear magnetic resonance (LF-NMR) relaxometry is a non-invasive technique commonly used to assess hydrogen-bearing fluids in petroleum reservoir rocks. Longitudinal T1 and transverse T2 relaxation time measurements made using LF-NMR on conventional reservoir systems provides information on rock porosity, pore size distributions, and fluid types and saturations in some cases. Recent improvements in LF-SNMR instrument electronics have made it possible to apply these methods to assess highly viscous and even solid organic phases within reservoir rocks. T1 and T2 relaxation responses behave very differently in solids and liquids, therefore the relationship between these two modes of relaxation can be used to differentiate organic phases in rock samples or to characterize extracted organic materials. Using T1-T2 correlation data, organic components present in shales, such as kerogen and bitumen, can be examined in laboratory relaxometry measurements. In addition, implementation of a solid-echo pulse sequence to refocus some types of T2 relaxation during correlation measurements allows for improved resolution of solid phase photons. LF-NMR measurements of T1 and T2 relaxation time correlations were carried out on raw oil shale samples from resources around the world. These shales vary widely in mineralogy, total organic carbon (TOC) content and kerogen type. NMR results were correlcated with Leco TOC and geochemical data obtained from Rock-Eval. There is excellent correlation between NMR data and programmed pyrolysis parameters, particularly TOC and S2, and predictive capability is also good. To better understand the NMR response, the 2D NMR spectra were compared to similar NMR measurements made using high-field (HF) NMR equipment.

  18. Energetics of endurance exercise in young horses determined by nuclear magnetic resonance metabolomics

    Directory of Open Access Journals (Sweden)

    Margaux Marie-Hélène, Olivia Luck

    2015-07-01

    Full Text Available Long-term endurance exercise severely affects metabolism in both human and animal athletes resulting in serious risk of metabolic disorders during or after competition. Young horses (up to 6 years old can compete in races up to 90 km despite limited scientific knowledge of energetic metabolism responses to long distance exercise in these animals. The hypothesis of this study was that there would be a strong effect of endurance exercise on the metabolomic profiles of young horses and that the energetic metabolism response in young horses would be different from that of more experienced horses. Metabolomic profiling is a powerful method that combines Nuclear magnetic resonance (NMR spectrometry with supervised orthogonal projection on latent structure (OPLS statistical analysis. 1H-NMR spectra were obtained from plasma samples drawn from young horses (before and after competition. The spectra obtained before and after the race from the same horse (92 samples were compared using OPLS. The statistical parameters showed the robustness of the model (R2Y=0.947, Q2Y=0.856 and CV-ANOVA p-value < 0.001. For confirmation of the predictive value of the model, a test set of 104 sample spectra were projected by the model, which provided perfect predictions as the area under the receiving-operator curve was 1. The metabolomic profile determined with the OPLS model showed that glycemia after the race was lower than glycemia before the race, despite the involvement of lipid and protein catabolism. An OPLS model was calculated to compare spectra obtained on plasma taken after the race from 6-year-old horses and from experienced horses (cross-validated ANOVA p-value < 0.001. The comparison of metabolomic profiles in young horses to those from experienced horses showed that experienced horses maintained their glycemia with higher levels of lactate and a decrease of plasma lipids after the race.

  19. Interaction between lidocaine hydrochloride (with and without adrenaline and various irrigants: A nuclear magnetic resonance analysis

    Directory of Open Access Journals (Sweden)

    Nirmal Vidhya

    2014-01-01

    Full Text Available Background: Interaction between local anesthetic solution, lidocaine hydrochloride (with and without adrenaline, and root canal irrigants such as sodium hypochlorite (NaOCl, ethylene diamine tetra-acetic acid (EDTA, and chlorhexidine (CHX has not been studied earlier. Hence, the purpose of this in vitro study was to evaluate the chemical interaction between 2% lidocaine hydrochloride (with and without adrenaline and commonly used root canal irrigants, NaOCl, EDTA, and CHX. Materials and Methods: Samples were divided into eight experimental groups: Group I-Lidocaine hydrochloride (with adrenaline/3% NaOCl, Group II-Lidocaine hydrochloride (with adrenaline/17% EDTA, Group III- Lidocaine hydrochloride (with adrenaline/2% CHX, Group IV-Lidocaine hydrochloride (without adrenaline/3% NaOCl, Group V-Lidocaine hydrochloride (without adrenaline/17% EDTA, Group VI-Lidocaine hydrochloride (without adrenaline/2% CHX, and two control groups: Group VII-Lidocaine hydrochloride (with adrenaline/deionized water and Group VIII-Lidocaine hydrochloride (without adrenaline/deionized water. The respective solutions of various groups were mixed in equal proportions (1 ml each and observed for precipitate formation. Chemical composition of the formed precipitate was then analysed by nuclear magnetic resonance spectroscopy (NMR and confirmed with diazotation test. Results: In groups I and IV, a white precipitate was observed in all the samples on mixing the respective solutions, which showed a color change to reddish brown after 15 minutes. This precipitate was then analysed by NMR spectroscopy and was observed to be 2,6-xylidine, a reported toxic compound. The experimental groups II, III, V, and VI and control groups VII and VIII showed no precipitate formation in any of the respective samples, until 2 hours. Conclusion: Interaction between lidocaine hydrochloride (with and without adrenaline and NaOCl showed precipitate formation containing 2,6-xylidine, a toxic

  20. Absolute quantitative analysis for sorbic acid in processed foods using proton nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Highlights: ► A method using qHNMR was applied and validated to determine SA in processed foods. ► This method has good accuracy, precision, selectiveness, and linearity. ► The proposed method is more rapid and simple than the conventional method. ► We found that the proposed method is reliable for the accurate determination of SA. ► This method can be used for the monitoring of SA in processed foods. - Abstract: An analytical method using solvent extraction and quantitative proton nuclear magnetic resonance (qHNMR) spectroscopy was applied and validated for the absolute quantification of sorbic acid (SA) in processed foods. The proposed method showed good linearity. The recoveries for samples spiked at the maximum usage level specified for food in Japan and at 0.13 g kg−1 (beverage: 0.013 g kg−1) were larger than 80%, whereas those for samples spiked at 0.063 g kg−1 (beverage: 0.0063 g kg−1) were between 56.9 and 83.5%. The limit of quantification was 0.063 g kg−1 for foods (and 0.0063 g kg−1 for beverages containing Lactobacillus species). Analysis of the SA content of commercial processed foods revealed quantities equal to or greater than those measured using conventional steam-distillation extraction and high-performance liquid chromatography quantification. The proposed method was rapid, simple, accurate, and precise, and provided International System of Units traceability without the need for authentic analyte standards. It could therefore be used as an alternative to the quantification of SA in processed foods using conventional method.

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

    International Nuclear Information System (INIS)

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

  2. Robust determination of surface relaxivity from nuclear magnetic resonance DT2 measurements

    Science.gov (United States)

    Luo, Zhi-Xiang; Paulsen, Jeffrey; Song, Yi-Qiao

    2015-10-01

    Nuclear magnetic resonance (NMR) is a powerful tool to probe into geological materials such as hydrocarbon reservoir rocks and groundwater aquifers. It is unique in its ability to obtain in situ the fluid type and the pore size distributions (PSD). The T1 and T2 relaxation times are closely related to the pore geometry through the parameter called surface relaxivity. This parameter is critical for converting the relaxation time distribution into the PSD and so is key to accurately predicting permeability. The conventional way to determine the surface relaxivity ρ2 had required independent laboratory measurements of the pore size. Recently Zielinski et al. proposed a restricted diffusion model to extract the surface relaxivity from the NMR diffusion-T2 relaxation (DT2) measurement. Although this method significantly improved the ability to directly extract surface relaxivity from a pure NMR measurement, there are inconsistencies with their model and it relies on a number of preset parameters. Here we propose an improved signal model to incorporate a scalable LT and extend their method to extract the surface relaxivity based on analyzing multiple DT2 maps with varied diffusion observation time. With multiple diffusion observation times, the apparent diffusion coefficient correctly describes the restricted diffusion behavior in samples with wide PSDs, and the new method does not require predetermined parameters, such as the bulk diffusion coefficient and tortuosity. Laboratory experiments on glass beads packs with the beads diameter ranging from 50 μm to 500 μm are used to validate the new method. The extracted diffusion parameters are consistent with their known values and the determined surface relaxivity ρ2 agrees with the expected value within ±7%. This method is further successfully applied on a Berea sandstone core and yields surface relaxivity ρ2 consistent with the literature.

  3. Robust determination of surface relaxivity from nuclear magnetic resonance DT(2) measurements.

    Science.gov (United States)

    Luo, Zhi-Xiang; Paulsen, Jeffrey; Song, Yi-Qiao

    2015-10-01

    Nuclear magnetic resonance (NMR) is a powerful tool to probe into geological materials such as hydrocarbon reservoir rocks and groundwater aquifers. It is unique in its ability to obtain in situ the fluid type and the pore size distributions (PSD). The T1 and T2 relaxation times are closely related to the pore geometry through the parameter called surface relaxivity. This parameter is critical for converting the relaxation time distribution into the PSD and so is key to accurately predicting permeability. The conventional way to determine the surface relaxivity ρ2 had required independent laboratory measurements of the pore size. Recently Zielinski et al. proposed a restricted diffusion model to extract the surface relaxivity from the NMR diffusion-T2 relaxation (DT2) measurement. Although this method significantly improved the ability to directly extract surface relaxivity from a pure NMR measurement, there are inconsistencies with their model and it relies on a number of preset parameters. Here we propose an improved signal model to incorporate a scalable LT and extend their method to extract the surface relaxivity based on analyzing multiple DT2 maps with varied diffusion observation time. With multiple diffusion observation times, the apparent diffusion coefficient correctly describes the restricted diffusion behavior in samples with wide PSDs, and the new method does not require predetermined parameters, such as the bulk diffusion coefficient and tortuosity. Laboratory experiments on glass beads packs with the beads diameter ranging from 50 μm to 500 μm are used to validate the new method. The extracted diffusion parameters are consistent with their known values and the determined surface relaxivity ρ2 agrees with the expected value within ±7%. This method is further successfully applied on a Berea sandstone core and yields surface relaxivity ρ2 consistent with the literature.

  4. Proton nuclear magnetic resonance spectroscopy unambiguously identifies different neural cell types.

    Science.gov (United States)

    Urenjak, J; Williams, S R; Gadian, D G; Noble, M

    1993-03-01

    Proton nuclear magnetic resonance (1H NMR) spectroscopy is a noninvasive technique that can provide information on a wide range of metabolites. Marked abnormalities of 1H NMR brain spectra have been reported in patients with neurological disorders, but their neurochemical implications may be difficult to appreciate because NMR data are obtained from heterogeneous tissue regions composed of several cell populations. The purpose of this study was to examine the 1H NMR profile of major neural cell types. This information may be helpful in understanding the metabolic abnormalities detected by 1H NMR spectroscopy. Extracts of cultured cerebellar granule neurons, cortical astrocytes, oligodendrocyte-type 2 astrocyte (O-2A) progenitor cells, oligodendrocytes, and meningeal cells were analyzed. The purity of the cultured cells was > 95% with all the cell lineages, except for neurons (approximately 90%). Although several constituents (creatine, choline-containing compounds, lactate, acetate, succinate, alanine, glutamate) were ubiquitously detectable with 1H NMR, each cell type had distinctive qualitative and/or quantitative features. Our most unexpected finding was a large amount of N-acetyl-aspartate (NAA) in O-2A progenitors. This compound, consistently detected by 1H NMR in vivo, was previously thought to ne present only in neurons. The finding that meningeal cells have an alanine:creatine ratio three to four times higher than astrocytes, neurons, or oligodendrocytes is in agreement with observations that meningiomas express a higher alanine:creatine ratio than gliomas. The data suggest that each individual cell type has a characteristic metabolic pattern that can be discriminated by 1H NMR, even by looking at only a few metabolites (e.g., NAA, glycine, beta-hydroxybutyrate).(ABSTRACT TRUNCATED AT 250 WORDS) PMID:8441018

  5. [Applications of nuclear magnetic resonance in the study of soil-plant-atmosphere continuum].

    Science.gov (United States)

    Yao, Shi-jin; Du, Guang-yuan; Mou, Hong-mei; Feng, Hao; Bai, Jiang-ping; He, Jian-qiang

    2016-01-01

    Status and transport of water in plant body are the main contents of study of soil-plant-atmosphere continuum (SPAC), as well as the base for use and regulation of agricultural water. The process of water transport in plant can be deeply influenced by the environments. Thus, plant needs to adjust its water status to accommodate the environmental change to sustain its own growth and development. Traditional methods for plant water monitoring, such as evaporation flux, pressure chamber, high pressure flow meter, heat pulse, and so on, usually cause damage or even destruction of plant body and disturb the original water status. Thus, they are not able to truly and precisely detect and reflect the real water status of plant. Nuclear magnetic resonance (NMR) is a non-destructive and non-invasive technique which can be used for the measurement of water molecular displacement, and transportation. This study aimed to provide an overview of the applications of NMR technique in the study of water distribution and transport in plant roots and stems, as well as the water content in plant cells and tissues. In addition, the existing main problems and possible solutions were analyzed for the applications of NMR in SPAC studies. Several important issues were proposed for the acquisition of more precise and reliable detection signals. It was suggested that the NMR technique would probably make important progress in the relevant fields such as plant water physiology, plantenvironment interactions, and water metabolism. In general, the application of NMR in SPAC system study was still in its infancy in China. The deeper application and expansion of NMR in SPAC study would depend on the development of portable and open NMR equipment that could be easily applied for different plants in field. PMID:27228624

  6. Recommendations concerning magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    In medicine the technique of nuclear magnetic resonance (NMR) is applied in the form of in vivo nuclear magnetic resonance spectroscopy (MRS). In vivo MRS can be carried out non-invasively. The committee of the Dutch Health Council briefly discusses the qualities and potentialities of the nuclei that will probably be used in future clinical spectroscopy: 31P, 13C, 1H (and possibly 19F and 23Na). The committee discusses several possibilities of combining imaging and spectroscopy. The imaging of nuclei other than protons is also possible with MRS. Potential applications are considered in oncology, cardiology, neurology and hepatology. (Auth.)

  7. Nobel Prize in Chemistry 1991 "for his contributions to the development of the methodology of high resolution nuclear magnetic resonance (NMR) spectroscopy": Richard R. Ernst

    CERN Multimedia

    1992-01-01

    Prof. Richard R. Ernst presents "The domestication of nuclear spins by chemists and biologists".The usage of nuclear spins in chemistry and biology for exploring the structure and dynamics of matter is discussed. The main emphasis is put on the methodological aspects of multidimensional nuclear magnetic resonance (NMR) spectroscopy that are responsible for the success of this powerful analytical technique.

  8. Magnetic resonance imaging the basics

    CERN Document Server

    Constantinides, Christakis

    2014-01-01

    Magnetic resonance imaging (MRI) is a rapidly developing field in basic applied science and clinical practice. Research efforts in this area have already been recognized with five Nobel prizes awarded to seven Nobel laureates in the past 70 years. Based on courses taught at The Johns Hopkins University, Magnetic Resonance Imaging: The Basics provides a solid introduction to this powerful technology. The book begins with a general description of the phenomenon of magnetic resonance and a brief summary of Fourier transformations in two dimensions. It examines the fundamental principles of physics for nuclear magnetic resonance (NMR) signal formation and image construction and provides a detailed explanation of the mathematical formulation of MRI. Numerous image quantitative indices are discussed, including (among others) signal, noise, signal-to-noise, contrast, and resolution. The second part of the book examines the hardware and electronics of an MRI scanner and the typical measurements and simulations of m...

  9. Advances in magnetic resonance 5

    CERN Document Server

    Waugh, John S

    2013-01-01

    Advances in Magnetic Resonance, Volume 5 deals with the interpretation of ESR spectra and provides descriptions of experimental apparatus. This book discusses the halogen hyperfine interactions; organic radicals in single crystals; pulsed-Fourier-transform nuclear magnetic resonance spectrometer; and inhomogenizer and decoupler. The spectrometers for multiple-pulse NMR; weak collision theory of relaxation in the rotating frame; and spin Hamiltonian for the electron spin resonance of irradiated organic single crystals are also deliberated. This text likewise covers the NMR in helium three and m

  10. Rheo-NMR - how nuclear magnetic resonance is providing new insight regarding complex fluid rheology

    International Nuclear Information System (INIS)

    Over the past five decades, NMR has revolutionised chemistry, and has found widespread application in condensed matter physics, in molecular biology, in medicine and in food technology. Most recently NMR has made a significant impact in chemical engineering, where it is being extensively used for the non-invasive study of dispersion and flow in porous media. One of the most recent applications of NMR in materials science concerns its use in the study of the mechanical properties of complex fluids. This particular aspect of NMR has been extensively developed in research carried out at Massey University in New Zealand. In this short article, some of the ideas behind this work and the applications which have resulted, will be described. These examples provide a glimpse of possible applications of Nuclear Magnetic Resonance to the study of complex fluid rheology. While this is a very new field of research in which only a handful of groups presently participate, the potential exists for a substantial increase in Rheo-NMR research activity. Systems studied to date include polymer melts and semi-dilute solutions, thermotropic and lyotropic liquid crystals and liquid crystalline polymers, micellar solutions, food materials and colloidal suspensions. Rheo-NMR suffers in a number of respects by comparison with optical methods. It is expensive, it is difficult to use, it suffers from poor signal-to-noise ratios and the effective interpretation of spectra often depends on familiarity with the nuclear spin Hamiltonian and the associated effects of spin dynamics. Nonetheless NMR offers some unique advantages, including the ability to work with opaque materials, the ability to combine velocimetry with localised spectroscopy, and the ability to access a wide range of molecular properties relating to organisation, orientation and dynamics. Rheo-NMR has been able to provide a direct window on a variety of behaviours, including slip, shear-thinning, shear banding, yield stress

  11. Interleaved localized 1H/31P nuclear magnetic resonance spectroscopy of skeletal muscle

    International Nuclear Information System (INIS)

    Nuclear magnetic resonance (NMR) has been used as a spectroscopic method in physics and chemistry before it was developed to become a diagnostic imaging tool in medicine. When NMR spectroscopy is applied to human tissue, metabolism can be studied in normal physiological and pathological states in vivo. Metabolite concentrations and rates can be monitored dynamically and with localization of a defined region of interest. The 'window' which is opened for observation, i.e. which quantities are measured, depends on the nucleus used for RF excitation. Mechanisms of adenosine tri-phosphate (ATP) resynthesis, as a direct source of energy for muscle contraction, are phosphocreatine (PCr) splitting, glycolysis, beta-oxidation and, finally, oxidative phosphorylation. Whilst the dependency of these processes' fractional contribution to muscular energy supply on exercise type and duration is well known, quantitative models of the regulating mechanisms involved are still subject of current research. A large fraction of the established knowledge about metabolism is based on biochemical analysis of tissue acquired invasively (e.g. microdialysis and open-flow microperfusion) or representing averaged metabolic concentrations for the whole body (via serum metabolites or gas exchange analysis). Localized NMR spectroscopy, however, is capable of non-invasively acquiring time-resolved data from a defined volume of interest, in vivo. In contrast to the vast majority of MRS studies investigating metabolism, where spectra of a single nucleus (commonly 1H, 31P or 13C) were acquired or several MR spectra with different nuclei were measured in separate experiments, this work opens an additional 'window' on muscle metabolism by interleaved localized acquisition of 1H and 31P NMR spectra from human calf muscle in vivo, during rest, exercise and recovery, in a single experiment. Using this technique, the time courses of the concentrations of phosphocreatine, inorganic phosphate (Pi), ATP, total

  12. 139La nuclear magnetic resonance characterisation of La2O3 and La1-xSrxMO3 where M = Cr, Mn or Co.

    Science.gov (United States)

    Bastow, T J

    1994-02-01

    139La Nuclear magnetic resonance (NMR) spectra have been used to obtain nuclear quadrupole coupling parameters for La2O3 and a series of perovskites La1-xSrxMO3 (where M = Cr, Mn or Co). Depending on the doping level of SrO2 these materials are either paramagnetic or ferromagnetic at room temperature. Magnetic transferred hyperfine effects are strongly in evidence in the Mn compounds. A 59Co NMR spectrum was observed in LaCoO3. A precision measurement of the nuclear quadrupole coupling constant in La2O3 was made by nuclear quadrupole resonance (NQR) spectroscopy.

  13. Measurement of soil carbon oxidation state and oxidative ratio by 13C nuclear magnetic resonance

    Science.gov (United States)

    Hockaday, W.C.; Masiello, C.A.; Randerson, J.T.; Smernik, R.J.; Baldock, J.A.; Chadwick, O.A.; Harden, J.W.

    2009-01-01

    The oxidative ratio (OR) of the net ecosystem carbon balance is the ratio of net O2 and CO2 fluxes resulting from photosynthesis, respiration, decomposition, and other lateral and vertical carbon flows. The OR of the terrestrial biosphere must be well characterized to accurately estimate the terrestrial CO2 sink using atmospheric measurements of changing O2 and CO2 levels. To estimate the OR of the terrestrial biosphere, measurements are needed of changes in the OR of aboveground and belowground carbon pools associated with decadal timescale disturbances (e.g., land use change and fire). The OR of aboveground pools can be measured using conventional approaches including elemental analysis. However, measuring the OR of soil carbon pools is technically challenging, and few soil OR data are available. In this paper we test three solid-state nuclear magnetic resonance (NMR) techniques for measuring soil OR, all based on measurements of the closely related parameter, organic carbon oxidation state (Cox). Two of the three techniques make use of a molecular mixing model which converts NMR spectra into concentrations of a standard suite of biological molecules of known C ox. The third technique assigns Cox values to each peak in the NMR spectrum. We assess error associated with each technique using pure chemical compounds and plant biomass standards whose Cox and OR values can be directly measured by elemental analyses. The most accurate technique, direct polarization solid-state 13C NMR with the molecular mixing model, agrees with elemental analyses to ??0.036 Cox units (??0.009 OR units). Using this technique, we show a large natural variability in soil Cox and OR values. Soil Cox values have a mean of -0.26 and a range from -0.45 to 0.30, corresponding to OR values of 1.08 ?? 0.06 and a range from 0.96 to 1.22. We also estimate the OR of the carbon flux from a boreal forest fire. Analysis of soils from nearby intact soil profiles imply that soil carbon losses associated

  14. Monitoring of organic contaminants in sediments using low field proton nuclear magnetic resonance

    Science.gov (United States)

    Zhang, Chi; Rupert, Yuri

    2016-04-01

    The effective monitoring of soils and groundwater contaminated with organic compounds is an important goal of many environmental restoration efforts. Recent geophysical methods such as electrical resistivity, complex conductivity, and ground penetrating radar have been successfully applied to characterize organic contaminants in the subsurface and to monitor remediation process both in laboratory and in field. Low field proton nuclear magnetic resonance (NMR) is a geophysical tool sensitive to the molecular-scale physical and chemical environment of hydrogen-bearing fluids in geological materials and shows promise as a novel method for monitoring contaminant remediation. This laboratory research focuses on measurements on synthetic samples to determine the sensitivity of NMR to the presence of organic contaminants and improve understanding of relationships between NMR observables, hydrological properties of the sediments, and amount and state of contaminants in porous media. Toluene, a light non-aqueous phase liquid (LNAPL) has been selected as a representative organic contaminant. Three types of porous media (pure silica sands, montmorillonite clay, and various sand-clay mixtures with different sand/clay ratios) were prepared as synthetic sediments. NMR relaxation time (T2) and diffusion-relaxation (D ‑ T2) correlation measurements were performed in each sediment saturated with water and toluene mixed fluid at assorted concentrations (0% toluene and 100% water, 1% toluene and 99% water, 5% toluene and 95% water, 25% toluene and 75% water, and 100% toluene and 0% water) to 1) understand the effect of different porous media on the NMR responses in each fluid mixture, 2) investigate the role of clay content on T2 relaxation of each fluid, 3) quantify the amount hydrocarbons in the presence of water in each sediment, and 4) resolve hydrocarbons from water in D ‑ T2 map. Relationships between the compositions of porous media, hydrocarbon concentration, and

  15. Monitoring microbial growth and activity using spectral induced polarization and low-field nuclear magnetic resonance

    Science.gov (United States)

    Zhang, Chi; Keating, Kristina; Revil, Andre

    2015-04-01

    Microbes and microbial activities in the Earth's subsurface play a significant role in shaping subsurface environments and are involved in environmental applications such as remediation of contaminants in groundwater and oil fields biodegradation. Stimulated microbial growth in such applications could cause wide variety of changes of physical/chemical properties in the subsurface. It is critical to monitor and determine the fate and transportation of microorganisms in the subsurface during such applications. Recent geophysical studies demonstrate the potential of two innovative techniques, spectral induced polarization (SIP) and low-field nuclear magnetic resonance (NMR), for monitoring microbial growth and activities in porous media. The SIP measures complex dielectric properties of porous media at low frequencies of exciting electric field, and NMR studies the porous structure of geologic media and characterizes fluids subsurface. In this laboratory study, we examined both SIP and NMR responses from bacterial growth suspension as well as suspension mixed with silica sands. We focus on the direct contribution of microbes to the SIP and NMR signals in the absence of biofilm formation or biomineralization. We used Zymomonas mobilis and Shewanella oneidensis (MR-1) for SIP and NMR measurements, respectively. The SIP measurements were collected over the frequency range of 0.1 - 1 kHz on Z. mobilis growth suspension and suspension saturated sands at different cell densities. SIP data show two distinct peaks in imaginary conductivity spectra, and both imaginary and real conductivities increased as microbial density increased. NMR data were collected using both CPMG pulse sequence and D-T2 mapping to determine the T2-distribution and diffusion properties on S. oneidensis suspension, pellets (live and dead), and suspension mixed with silica sands. NMR data show a decrease in the T2-distribution in S. oneidensis suspension saturated sands as microbial density increase. A

  16. Humanitarian mine detection by acoustic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Kercel, S.W.

    1998-03-01

    The JASON Committee at MITRE Corp. was tasked by DARPA to inquire into suitable technologies for humanitarian mine detection. Acoustic resonance was one of the very few technologies that the JASONs determined might be promising for the task, but was as yet unexplored at the time that they conducted their inquiry. The objective of this Seed Money investigation into acoustic resonance was to determine if it would be feasible to use acoustic resonance to provide an improvement to present methods for humanitarian mine detection. As detailed in this report, acoustic resonance methods do not appear to be feasible for this task. Although acoustic resonant responses are relatively easy to detect when they exist, they are very difficult to excite by the non-contact means that must be used for buried objects. Despite many different attempts, this research did not discover any practical means of using sound to excite resonant responses in objects known to have strong resonances. The shaker table experiments did see an effect that might be attributable to the resonance of the object under test, but the effect was weak, and exploited the a priori knowledge of the resonant frequency of the object under test to distinguish it from the background. If experiments that used objects known to have strong acoustic resonances produced such marginal results, this does not seem to be a practical method to detect objects with weak resonances or non-existent resonances. The results of this work contribute to the ORNL countermine initiative. ORNL is exploring several unconventional mine detection technologies, and is proposed to explore others. Since this research has discovered some major pitfalls in non-metallic mine detection, this experience will add realism to other strategies proposed for mine detection technologies. The experiment provided hands-on experience with inert plastic mines under field conditions, and gives ORNL additional insight into the problems of developing practical

  17. Acoustic Resonance Reaction Control Thruster (ARCTIC) Project

    Data.gov (United States)

    National Aeronautics and Space Administration — ORBITEC proposes to develop and demonstrate the innovative Acoustic Resonance Reaction Control Thruster (ARCTIC) to provide rapid and reliable in-space impulse...

  18. Multifrequency acoustic resonators with variable nonuniformity

    OpenAIRE

    Alkov, Steven L.

    1991-01-01

    Approved for public release; distribution is unlimited A new type of acoustic resonator utilizes alterations of the nonuniformity to achieve different resonance frequencies. Each resonator is designed to yield frequencies that correspond to musical notes. The apparatus are remarkably simple, employing piecewise uniform cross sectional areas that can easily and quickly be changed. The resonators are thus useful as educational demonstrations. The phenomenon can be understood physically a...

  19. Theory for cross effect dynamic nuclear polarization under magic-angle spinning in solid state nuclear magnetic resonance: The importance of level crossings

    OpenAIRE

    Thurber, Kent R.; Tycko, Robert

    2012-01-01

    We present theoretical calculations of dynamic nuclear polarization (DNP) due to the cross effect in nuclear magnetic resonance under magic-angle spinning (MAS). Using a three-spin model (two electrons and one nucleus), cross effect DNP with MAS for electron spins with a large g-anisotropy can be seen as a series of spin transitions at avoided crossings of the energy levels, with varying degrees of adiabaticity. If the electron spin-lattice relaxation time T1e is large relative to the MAS rot...

  20. Postoperative magnetic resonance imaging after acoustic neuroma surgery. Influence of packing materials in the drilled internal auditory canal on assessment of residual tumor

    Energy Technology Data Exchange (ETDEWEB)

    Umezu, Hiromichi; Seki, Yojiro [Toranomon Hospital, Tokyo (Japan)

    1999-02-01

    Serial magnetic resonance (MR) images taken after acoustic neuroma surgery were analyzed to evaluate the pattern and timing of postoperative contrast enhancement in 22 patients who underwent acoustic neuroma removal via the suboccipital transmeatal approach. The opened internal auditory canal (IAC) was covered with a muscle piece in nine patients and with fibrin glue in 13. A total of 56 MR imaging examinations were obtained between days 1 and 930 after surgery. MR imaging showed linear enhancement at the IAC within the first 2 days after surgery, and revealed nodular enhancement on day 3 or later in patients with a muscle piece. MR imaging tended to show linear enhancement at the IAC, irrespective of the timing of the examination in the patients with fibrin glue. Postoperative MR imaging on day 3 or later showed the incidence of nodular enhancement in patients with muscle was significantly higher than in patients with fibrin glue. The results illustrate the difficulty in differentiating nodular enhancement of a muscle piece from tumor by a single postoperative MR imaging study. Therefore, fibrin glue is generally advocated as a packing material of the IAC because it rarely shows masslike enhancement on postoperative MR imaging. When a muscle piece is used in patients at high risk for postoperative cerebrospinal fluid leaks, MR imaging should be obtained within the first 2 days after surgery, since benign enhancement of muscle will not occur and obscure the precise extent of tumor resection. (author)

  1. Experimentally Obtaining the Likeness of Two Unknown Qubits on a Nuclear-Magnetic-Resonance Quantum Information Processor

    Institute of Scientific and Technical Information of China (English)

    薛飞; 杜江峰; 周先意; 韩荣典; 吴季辉

    2003-01-01

    We study the discrimination of quantum states from the other way around, i.e. the likeness of two quantum states. The fidelity is used to describe the likeness of two quantum states. Then we present a scheme to obtain the fidelity of two unknown qubits directly from the integral area of the spectra of the assistant qubit (spin) on a nuclear-magnetic-resonance quantum information processor. Finally, we demonstrate the scheme on a three-qubit quantum information processor. The experimental data are consistent with the theoretical expectation with an average error of 0.05, which confirms the scheme.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1986-01-01

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

  3. Synthesis and purification of some alkyl phenanthrenes and presentation of their infrared, ultraviolet, nuclear magnetic resonance and mass spectra

    International Nuclear Information System (INIS)

    We have carried out the synthesis of: - phenanthrene - its five monomethyl derivatives - three dimethyl derivatives - two trimethyl derivatives. We have then purified these products as well as a certain number of others obtained from various sources. We have been able to obtain in the majority of cases, a purity of 99.5 per cent or over, these figures being obtained by low voltage mass spectrometry. Finally we have recorded the infrared, ultraviolet, nuclear magnetic resonance and mass spectra of these products for which an atlas has been drawn up. (author)

  4. Nuclear Magnetic Resonance Implemenations of Remote State Preparation of Arbitary Longitudinal Qubit and Remote State Measurement of a Qubit

    CERN Document Server

    Peng, X; Liu, M; Gao, K; Peng, Xinhua; Zhu, Xiwen; Liu, Maili; Gao, Kelin

    2002-01-01

    A qubit chosen from equatorial or polar great circles on a Bloch sphere can be remotely prepared with an Einstain-Podolsky-Rosen (EPR) state shared and a cbit communication. We generalize this protocal into an arbitrary longitudinal qubit on the Bloch sphere in which the azimuthal angle phi can be an arbitrary value instead of only being zero. The generalized scheme was experimentally realized using liquid-state nuclear magnetic resonance (NMR) techniques. Also, we have experimentally demonstrated remote state measurement (RSM) on an arbitary qubit proposed by Pati.

  5. Experimental demonstration of the interferometric complementarity of one- and two-particle interference in a bulk Nuclear Magnetic Resonance ensemble

    CERN Document Server

    Peng, X; Liu, M; Gao, K; Peng, Xinhua; Zhu, Xiwen; Liu, Maili; Gao, Kelin

    2002-01-01

    In a two-particle interferometer, there exits a complementarity between one-particle and two-particle visibility. Using nuclear magnetic resonance (NMR) techniques, we first experimentally demonstrated two extreme cases: perfect two-particle interference fringe and no one-particle interference fringe for an entangled state and the opposition for a product state. Then, an experimental investigation of intermediate cases in a special family of states demonstrates the complmentarity relation v_i^2 + v_{12}^2 = 1 (i=1 or 2). Also, we observed an experimental violation of Bell's inequality in the NMR spin ensemble.

  6. [sup 27]Al nuclear magnetic resonance spectra of Ce[sub 3]Al[sub 11] at low temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Gavilano, J.L. (Lab. fuer Festkoerperphysik, ETH-Hoenggerberg, Zuerich (Switzerland)); Hunziker, J. (Lab. fuer Festkoerperphysik, ETH-Hoenggerberg, Zuerich (Switzerland)); Buechi, S. (Lab. fuer Festkoerperphysik, ETH-Hoenggerberg, Zuerich (Switzerland)); Fisk, Z. (Los Alamos National Lab., Los Alamos, NM (United States)); Ott, H.R. (Lab. fuer Festkoerperphysik, ETH-Hoenggerberg, Zuerich (Switzerland))

    1994-02-01

    We have measured the [sup 27]Al nuclear magnetic resonance, NMR, spectra of oriented powder of the intermetallic compound Ce[sub 3]Al[sub 11] at temperatures between 0.03 K and 20 K, and frequencies of 2.815 MHz, 3.925 MHz, 9.208 MHz and 74.81 MHz. In the paramagnetic state the NMR spectra show the quadrupolar-split contribution of the four inequivalent Al-sites with strongly temperature-dependent Knigth shifts. The NMR spectra indicate the onset of a ferromagnetic phase below 6.2 K transforming into a sinusoidally modulated antiferromagnetic state below 3.3 K. (orig.)

  7. Potential of human saliva for nuclear magnetic resonance-based metabolomics and for health-related biomarker identification

    DEFF Research Database (Denmark)

    Bertram, Hanne Christine; Eggers, Nina; Eller, Nanna

    2009-01-01

    In the present study, the ability of (1)H nuclear magnetic resonance (NMR) for metabolic profiling of human saliva samples was investigated. High-resolution (1)H NMR spectra were obtained, and signals were assigned to various metabolites mainly representing small organic acids and amino acids....... In addition, the use of human saliva for metabolomic studies was evaluated, and multivariate data analysis revealed that the 92 morning and night samples from 46 subjects could be discriminated with a predictability of 85%. The diurnal effect on the salivary metabolite profile were ascribed to changes...

  8. Explicit calculation of nuclear magnetic resonance relaxation rates in small pores to elucidate molecular scale fluid dynamics

    OpenAIRE

    Faux, David A.; McDonald, Peter J.

    2016-01-01

    A model linking the molecular-scale dynamics of fluids confined to nano-pores to nuclear magnetic resonance (NMR) relaxation rates is proposed. The model is fit to experimental NMR dispersions for water and oil in an oil shale assuming that each fluid is characterised by three time constants and L\\'{e}vy statistics. Results yield meaningful and consistent intra-pore dynamical time constants, insight into diffusion mechanisms and pore morphology. The model is applicable to a wide range of poro...

  9. magnetic resonance imaging,etc.

    Institute of Scientific and Technical Information of China (English)

    张福基

    1998-01-01

    magnetic resonance imaging n.[1984] a noninvasive diagnostic technique that produces computerized images of internal body tissues and is based on nuclear magnetic resonance of atoms within he body induced by the application of radio waves磁共振成像(指一种非侵害 性诊断技术,能生成内部身体组织的计算机化影像,其依据是应用无线电波 感生体内原子并使之产磁共振)

  10. Nuclear Magnetic Resonance Measurements and Electronic Structure of Pu(IV) in [(Me)4N]2PuCl6.

    Science.gov (United States)

    Mounce, Andrew M; Yasuoka, Hiroshi; Koutroulakis, Georgios; Lee, Jeongseop A; Cho, Herman; Gendron, Frédéric; Zurek, Eva; Scott, Brian L; Trujillo, Julie A; Slemmons, Alice K; Cross, Justin N; Thompson, Joe D; Kozimor, Stosh A; Bauer, Eric D; Autschbach, Jochen; Clark, David L

    2016-09-01

    The synthesis, electronic structure, and characterization via single-crystal X-ray diffraction, nuclear magnetic resonance (NMR) spectroscopy, and magnetic susceptibility of (Me4N)2PuCl6 are reported. NMR measurements were performed to both search for the direct (239)Pu resonance and to obtain local magnetic and electronic information at the Cl site through (35)Cl and (37)Cl spectra. No signature of (239)Pu NMR was observed. The temperature dependence of the Cl spectra was simulated by diagonalizing the Zeeman and quadrupolar Hamiltonians for (35)Cl, (37)Cl, and (14)N isotopes. Electronic structure calculations predict a magnetic Γ5 triplet ground state of Pu(IV) in the crystalline electric field of the undistorted PuCl6 octahedron. A tetragonal distortion would result in a very small splitting (∼20 cm(-1)) of the triplet ground state into a nonmagnetic singlet and a doublet state. The Cl shifts have an inflection point at T ≈ 15 K, differing from the bulk susceptibility, indicating a nonmagnetic crystal field ground state. The Cl spin-lattice relaxation time is constant to T = 15 K, below which it rapidly increases, also supporting the nonmagnetic crystal field ground state.

  11. Magnetic Resonance Imaging and Magnetic Resonance Spectroscopy in Dementias

    OpenAIRE

    Hsu, Yuan-Yu; Du, An-Tao; Schuff, Norbert; Weiner, Michael W.

    2001-01-01

    This article reviews recent studies of magnetic resonance imaging and magnetic resonance spectroscopy in dementia, including Alzheimer's disease, frontotemporal dementia, dementia with Lewy bodies, idiopathic Parkinson's disease, Huntington's disease, and vascular dementia. Magnetic resonance imaging and magnetic resonance spectroscopy can detect structural alteration and biochemical abnormalities in the brain of demented subjects and may help in the differential diagnosis and early detection...

  12. Magnetic Resonance Sensors

    Directory of Open Access Journals (Sweden)

    Robert H. Morris

    2014-11-01

    Full Text Available Magnetic Resonance finds countless applications, from spectroscopy to imaging, routinely in almost all research and medical institutions across the globe. It is also becoming more frequently used for specific applications in which the whole instrument and system is designed for a dedicated application. With beginnings in borehole logging for the petro-chemical industry Magnetic Resonance sensors have been applied to fields as varied as online process monitoring for food manufacture and medical point of care diagnostics. This great diversity is seeing exciting developments in magnetic resonance sensing technology published in application specific journals where they are often not seen by the wider sensor community. It is clear that there is enormous interest in magnetic resonance sensors which represents a significant growth area. The aim of this special edition of Sensors was to address the wide distribution of relevant articles by providing a forum to disseminate cutting edge research in this field in a single open source publication.[...

  13. Application of Optimized Neural Network Models for Prediction of Nuclear Magnetic Resonance Parameters in Carbonate Reservoir Rocks

    Directory of Open Access Journals (Sweden)

    Javad Ghiasi-Freez

    2015-05-01

    Full Text Available Neural network models are powerful tools for extracting the underlying dependency of a set of input/output data. However, the mentioned tools are in danger of sticking in local minima. The present study went to step forward by optimizing neural network models using three intelligent optimization algorithms, including genetic algorithm (GA, particle swarm optimization (PSO, and ant colony (AC, to eliminate the risk of being exposed to local minima. This strategy was capable of significantly improving the accuracy of a neural network by optimizing network parameters such as weights and biases. Nuclear magnetic resonance (NMR log measures some of the most useful characteristics of reservoir rock; the capabilities of the optimized models were used for prediction of nuclear magnetic resonance (NMR log parameters in a carbonate reservoir rock of Iran. Conventional porosity logs, which are the easily accessible tools compared to NMR log’s parameters, were introduced to the models as inputs while free fluid porosity and permeability, which were measured by NMR log, are desire outputs. The performance of three optimized models was verified by some unseen test data. The results show that PSO-based network and ACO-based network is the best and poorest method, respectively, in terms of accuracy; however, the convergence time of GA-based model is considerably smaller than PSO-based and GA-based models.

  14. Profiling human blood serum metabolites by nuclear magnetic resonance spectroscopy: a comprehensive tool for the evaluation of hemodialysis efficiency.

    Science.gov (United States)

    Kromke, Marika; Palomino-Schätzlein, Martina; Mayer, Horst; Pfeffer, Stefan; Pineda-Lucena, Antonio; Luy, Burkhard; Hausberg, Martin; Muhle-Goll, Claudia

    2016-05-01

    Hemodialysis remains the standard therapy to treat patients affected with end-stage renal disease by removing metabolites accumulated in blood plasma. The efficiency of hemodialysis is mainly monitored by urea clearance, which is routinely checked in clinical laboratory practice. However, there is mounting evidence that the clearance behavior of selected single metabolites is not sufficient to predict long-term outcome of treatment. To address this problem, we evaluated the potential of nuclear magnetic resonance spectroscopy for monitoring hemodialysis efficiency by comprehensive profiling of blood serum metabolites. We carried out a pilot study with a cohort of end-stage chronic kidney disease patients (n = 29), analyzing their serum prior and immediately after hemodialysis. To account for supposed variability in the accumulation of metabolites and efficiency of hemodialysis, patients' blood sera were repeatedly collected over a period of several months. Our results revealed that the metabolic profile in terms of concentrations varied considerably between patients but was comparably constant on the patient's level over the period of 4 months. Interestingly, also the individual clearance of the metabolites was characteristic for each patient. Thus, it is conceivable that the observed patient-dependent clearance patterns reflect to some extent the patients' long-term perspectives. We conclude that nuclear magnetic resonance spectroscopy is an optimal tool to complement traditional clinical methods based on a single variable, providing comprehensive and much more global information, which is crucial for patient evaluation and the development of improved treatments of kidney failure.

  15. Expression and purification of cysteine mutation isoforms of rat lipocalin-type prostaglandin D synthase for nuclear magnetic resonance study

    Institute of Scientific and Technical Information of China (English)

    Jiafu Liu; Kejiang Lin; Chenyun Guo; Hongchang Gao; Yihe Yao; Donghai Lin

    2008-01-01

    Lipocalin-type prostaglandin (PG) D synthase (L-PGDS) is the only member of the lipocalin superfamily that displays enzymatic activity. It binds lipophilic ligands with high affinity and also can catalyze PGH2 to produce PGD2. Three cysteine residues, Cys 65 , Cys 89 , and Cys 186 in L-PGDS, are conserved among all species, of which Cys 89 and Cys 186 residues form a disulfide bridge. In this study, we clarified the effects of thiol groups on the structure of the protein and investigated the structural significance of Cys residues of rat L-PGDS by site-directed mutagenesis. Four mutants were constructed by substituting Cys residues with alanine to identify the correct formation of disulfide bonds among these three residues. The effects of thiol groups on the structure of rat L-PGDS were also identified by these mutants. Analysis of HSQC experiments indicated that these enzymes were all properly folded with well defined tertiary structures. As the first step towards the 3-D nuclear magnetic resonance solution structure, we optimized expression of recombinant rat L-PGDS in Escherichia coli and established an efficient and economic purification protocol yielding large amounts of pure isotopically labeled rat L-PGDS. The results of assignments indicated that the wild-type rat L-PGDS obtained using this expression system was suitable for determination of 3-D nuclear magnetic resonance solution structure.

  16. Attainable entanglement of unitary transformed thermal states in liquid-state nuclear magnetic resonance with the chemical shift

    CERN Document Server

    Ota, Y; Ohba, I; Yoshida, N; Mikami, Shuji; Ohba, Ichiro; Ota, Yukihiro; Yoshida, Noriyuki

    2006-01-01

    Recently, Yu, Brown, and Chuang [Phys. Rev. A {\\bf 71}, 032341 (2005)] investigated the entanglement attainable from unitary transformed thermal states in liquid-state nuclear magnetic resonance (NMR). Their research gave an insight into the role of the entanglement in a liquid-state NMR quantum computer. Moreover, they attempted to reveal the role of mixed-state entanglement in quantum computing. However, they assumed that the Zeeman energy of each nuclear spin which corresponds to a qubit takes a common value for all; there is no chemical shift. In this paper, we research a model with the chemical shifts and analytically derive the physical parameter region where unitary transformed thermal states are entangled, by the positive partial transposition (PPT) criterion with respect to any bipartition. We examine the effect of the chemical shifts on the boundary between the separability and the nonseparability, and find it is negligible.

  17. Nuclear magnetic resonance Knight shifts in the presence of strong spin-orbit and crystal-field potentials

    Science.gov (United States)

    Nisson, D. M.; Curro, N. J.

    2016-07-01

    In recent years there has been increasing interest in materials with strong spin-orbit coupling (SOC). Nuclear magnetic resonance is a valuable microscopic probe of such systems because of the hyperfine interactions between the nuclear spins and the electron degrees of freedom. In materials with weak SOC the NMR Knight shift contains two contributions: one from the electron orbital susceptibility and the other from the electron spin susceptibility. These contributions can be separated by plotting the Knight shift versus the bulk susceptibility and extracting the slope and intercept. Here we examine the case where the SOC is non-negligible, in which case the slope and intercept are no longer simply related to these two contributions. These results have important implications for NMR studies of heavy fermions, as well as 4d and 5d systems.

  18. Relaxation-allowed nuclear magnetic resonance transitions by interference between the quadrupolar coupling and the paramagnetic interaction.

    Science.gov (United States)

    Ling, Wen; Jerschow, Alexej

    2007-02-14

    Of the various ways in which nuclear spin systems can relax to their ground states, the processes involving an interference between different relaxation mechanisms, such as dipole-dipole coupling and chemical shift anisotropy, have become of great interest lately. The authors show here that the interference between the quadrupolar coupling and the paramagnetic interaction (cross-correlated relaxation) gives rise to nuclear spin transitions that would remain forbidden otherwise. In addition, frequency shifts arise. These would be reminiscent of residual anisotropic interactions when there are none. While interesting from a fundamental point of view, these processes may become relevant in magnetic resonance imaging experiments which involve quadrupolar spins, such as (23)Na, in the presence of contrast agents. Geometrical constraints in paramagnetic molecule structures may likewise be derived from these interference effects.

  19. Efficient isotropic magnetic resonators

    OpenAIRE

    Martin, O. J. F.; Gay-Balmaz, P.

    2002-01-01

    We study experimentally and numerically a novel three-dimensional magnetic resonator structure with high isotropy. It is formed by crossed split-ring resonators and has a response independent of the illumination direction in a specific plane. The utilization of such elements to build a finite left-handed medium is discussed. (C) 2002 American Institute of Physics.

  20. Chemical Principles Revisited. Proton Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    McQuarrie, Donald A.

    1988-01-01

    Discusses how to interpret nuclear magnetic resonance (NMR) spectra and how to use them to determine molecular structures. This discussion is limited to spectra that are a result of observation of only the protons in a molecule. This type is called proton magnetic resonance (PMR) spectra. (CW)