WorldWideScience

Sample records for acoustic nuclear magnetic resonance

  1. Nuclear Magnetic Resonance Spectroscopy

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 9; Issue 1. Nuclear Magnetic Resonance Spectroscopy. Susanta Das. General Article Volume 9 Issue 1 January 2004 pp 34-49. Fulltext. Click here to view fulltext PDF. Permanent link: http://www.ias.ac.in/article/fulltext/reso/009/01/0034-0049. Keywords.

  2. Nuclear Magnetic Resonance

    Indian Academy of Sciences (India)

    IAS Admin

    This article summarizes the early history of nuclear magnetic resonance (NMR) during the first 25–30 years. The method- ology went through vigorous growth and development during this time, laying the theoretical basis for understanding a wide array of applications. The stage was set for the breath- taking advances the ...

  3. [Nuclear magnetic resonance tomography].

    Science.gov (United States)

    Ganssen, A; Loeffler, W; Oppelt, A; Schmidt, F

    1981-04-01

    Imaging methods based on nuclear magnetic resonance allow the production of sectional images of the human body without ionizing radiation. It is possible to measure the density and relaxation times of the water protons in body fluids or tissue. This allows not only to obtain morphological information but also to get some insight into the spatial distribution of physiological data. Starting with a review of the principles of nuclear magnetic resonance it is explained how the measured signal can be associated with an image point; it is also explained what type of apparatus is necessary and what the physical limitations are. Possible risks the patient may be exposed to in an examination using nuclear magnetic resonance are discussed. The present state of the technical development enables the production of whole-body sectional images of a living person within about one minute. By means of some typical examples the nature and properties of these images are explained. Although extensive clinical studies will be necessary before a more general assessment can be made of this method, an outlook is provided on expected further developments and possible future fields of application.

  4. 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...

  5. Nuclear magnetic resonance contrast agents

    Science.gov (United States)

    Smith, P.H.; Brainard, J.R.; Jarvinen, G.D.; Ryan, R.R.

    1997-12-30

    A family of contrast agents for use in magnetic resonance imaging and a method of enhancing the contrast of magnetic resonance images of an object by incorporating a contrast agent of this invention into the object prior to forming the images or during formation of the images. A contrast agent of this invention is a paramagnetic lanthanide hexaazamacrocyclic molecule, where a basic example has the formula LnC{sub 16}H{sub 14}N{sub 6}. Important applications of the invention are in medical diagnosis, treatment, and research, where images of portions of a human body are formed by means of magnetic resonance techniques. 10 figs.

  6. 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...

  7. Moving dislocations studied by nuclear magnetic resonance

    NARCIS (Netherlands)

    Hut, Gezinus

    1976-01-01

    In this thesis a new approach to the study of moving dislocations in crystalline solids during plastic deformation will be presented. Since the process of dislocation motion is made up of atomic movements nuclear magnetic resonance techniques should offer a possibility to determine the manner in

  8. 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…

  9. Nuclear magnetic resonance in Kondo lattice systems

    Science.gov (United States)

    Curro, Nicholas J.

    2016-06-01

    Nuclear magnetic resonance has emerged as a vital tool to explore the fundamental physics of Kondo lattice systems. Because nuclear spins experience two different hyperfine couplings to the itinerant conduction electrons and to the local f moments, the Knight shift can probe multiple types of spin correlations that are not accessible via other techniques. The Knight shift provides direct information about the onset of heavy electron coherence and the emergence of the heavy electron fluid.

  10. A Portable Nuclear Magnetic Resonance Sensor System

    Directory of Open Access Journals (Sweden)

    R. Dykstra

    2008-04-01

    Full Text Available Nuclear Magnetic Resonance (NMR is a relatively complex technique and normally requires expensive equipment, however with advances in computing, electronics and permanent magnet technologies, NMR is becoming more feasible as a non-invasive tool for industry. The strength of NMR is its ability to probe at the molecular level and hence gain information about molecular structure, organization, abundance and orientation. This paper presents some of the work being undertaken in developing portable NMR systems for the non-destructive testing of materials such as polymer composites, rubber, timber and concrete.

  11. Nuclear Magnetic Resonance imaging; Resonance magnetique nucleaire

    Energy Technology Data Exchange (ETDEWEB)

    Thibierge, M.; Sevestre, L.; Slupecki, P. [Centre Hospitalier de Charleville-Mezieres, 08 (France)

    1998-06-01

    After many years of low profile business in the USA, MRI is back. Improvements are focused on high field magnets and on low field magnets. The former, are dedicated to high quality imaging. The new scanners are more and more efficient because of the spreading use of real time imaging. They can do now, procedures that just could not be imagined some years ago. Vascular imaging is done routinely. Abdominal imaging in apnea of EPI, perfusion and diffusion imaging, and, last not least, all the field of functional imaging are on the verge of coming out. The new magnets unveiled in 1997 are lighter, smaller, more, user friendly, less impressive for patients subject to claustrophobia. They also need less helium to operate and less space to be sited. The latter, are dedicated to interventional procedures. The new magnets are wide opened and a lot of companies show off. Though Picker unveiled a new light superconductive 0.5 Tesla magnet, it seems that this kind of machines are about to disappear. No significant progress was noticed in the field of dedicated MRI devices. Some features can be highlighted: the new Siemens short bore and its table integrates the Panoramic Array Coil Concept. It will allow simultaneous scanning with up to four coils; the excellent homogeneity of the new Picker magnet that will allow spectroscopy at 1 Tesla; the twin gradients of the Elscint Prisma that will open the field of microscopy MRI; the Philips `floppy gradients` that could speed up 4 or 6 times, the time needed for imaging; some new sequences sensitive to temperature are studied as WIP; a lot of work is achieved on 3 or 4 Tesla scanners etc. (author)

  12. Nanoscale nuclear magnetic resonance with chemical resolution

    Science.gov (United States)

    Aslam, Nabeel; Pfender, Matthias; Neumann, Philipp; Reuter, Rolf; Zappe, Andrea; Fávaro de Oliveira, Felipe; Denisenko, Andrej; Sumiya, Hitoshi; Onoda, Shinobu; Isoya, Junichi; Wrachtrup, Jörg

    2017-07-01

    Nuclear magnetic resonance (NMR) spectroscopy is a key analytical technique in chemistry, biology, and medicine. However, conventional NMR spectroscopy requires an at least nanoliter-sized sample volume to achieve sufficient signal. We combined the use of a quantum memory and high magnetic fields with a dedicated quantum sensor based on nitrogen vacancy centers in diamond to achieve chemical shift resolution in 1H and 19F NMR spectroscopy of 20-zeptoliter sample volumes. We demonstrate the application of NMR pulse sequences to achieve homonuclear decoupling and spin diffusion measurements. The best measured NMR linewidth of a liquid sample was ~1 part per million, mainly limited by molecular diffusion. To mitigate the influence of diffusion, we performed high-resolution solid-state NMR by applying homonuclear decoupling and achieved a 20-fold narrowing of the NMR linewidth.

  13. 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.

  14. 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.

  15. 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...

  16. Chiral discrimination in nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Lazzeretti, Paolo

    2017-11-01

    Chirality is a fundamental property of molecules whose spatial symmetry is characterized by the absence of improper rotations, making them not superimposable to their mirror image. Chiral molecules constitute the elementary building blocks of living species and one enantiomer is favoured in general (e.g. L-aminoacids and D-sugars pervade terrestrial homochiral biochemistry) because most chemical reactions producing natural substances are enantioselective. Since the effect of chiral chemicals and drugs on living beings can be markedly different between enantiomers, the quest for practical spectroscopical methods to scrutinize chirality is an issue of great importance and interest. Nuclear magnetic resonance (NMR) is a topmost analytical technique, but spectrometers currently used are ‘blind’ to chirality, i.e. unable to discriminate the two mirror-image forms of a chiral molecule, because, in the absence of a chiral solvent, the spectral parameters, chemical shifts and spin-spin coupling constants are identical for enantiomers. Therefore, the development of new procedures for routine chiral recognition would offer basic support to scientists. However, in the presence of magnetic fields, a distinction between true and false chirality is mandatory. The former epitomizes natural optical activity, which is rationalized by a time-even pseudoscalar, i.e. the trace of a second-rank tensor, the mixed electric dipole/magnetic dipole polarizability. The Faraday effect, magnetic circular dichroism and magnetic optical activity are instead related to a time-odd axial vector. The present review summarizes recent theoretical and experimental efforts to discriminate enantiomers via NMR spectroscopy, with the focus on the deep connection between chirality and symmetry properties under the combined set of fundamental discrete operations, namely charge conjugation, parity (space inversion) and time (motion) reversal.

  17. Selectivity in multiple quantum nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Warren, Warren Sloan [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division

    1980-11-01

    The observation of multiple-quantum nuclear magnetic resonance transitions in isotropic or anisotropic liquids is shown to give readily interpretable information on molecular configurations, rates of motional processes, and intramolecular interactions. However, the observed intensity of high multiple-quantum transitions falls off dramatically as the number of coupled spins increases. The theory of multiple-quantum NMR is developed through the density matrix formalism, and exact intensities are derived for several cases (isotropic first-order systems and anisotropic systems with high symmetry) to shown that this intensity decrease is expected if standard multiple-quantum pulse sequences are used. New pulse sequences are developed which excite coherences and produce population inversions only between selected states, even though other transitions are simultaneously resonant. One type of selective excitation presented only allows molecules to absorb and emit photons in groups of n. Coherent averaging theory is extended to describe these selective sequences, and to design sequences which are selective to arbitrarily high order in the Magnus expansion. This theory and computer calculations both show that extremely good selectivity and large signal enhancements are possible.

  18. Nuclear magnetic resonance imaging of the kidney

    Energy Technology Data Exchange (ETDEWEB)

    Hricak, H.; Crooks, L.; Sheldon, P.; Kaufman, L.

    1983-02-01

    The role of nuclear magnetic resonance (NMR) imaging of the kidney was analyzed in 18 persons (6 normal volunteers, 3 patients with pelvocaliectasis, 2 with peripelvic cysts, 1 with renal sinus lipomatosis, 3 with renal failure, 1 with glycogen storage disease, and 2 with polycystic kidney disease). Ultrasound and/or computed tomography (CT) studies were available for comparison in every case. In the normal kidney distinct anatomical structures were clearly differentiated by NMR. The best anatomical detail ws obtained with spin echo (SE) imaging, using a pulse sequence interval of 1,000 msec and an echo delay time of 28 msec. However, in the evaluation of normal and pathological conditions, all four intensity images (SE 500/28, SE 500/56, SE 1,000/28, and SE 1,000/56) have to be analyzed. No definite advantage was found in using SE imaging with a pulse sequence interval of 1,500 msec. Inversion recovery imaging enhanced the differences between the cortex and medulla, but it had a low signal-to-noise level and, therefore, a suboptimal overall resolution. The advantages of NMR compared with CT and ultrasound are discussed, and it is concluded that NMR imaging will prove to be a useful modality in the evaluation of renal disease.

  19. Quantum information processing and nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Cummins, H.K

    2001-07-01

    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 of composite rotations, tailored composite rotations, presented in Chapter 5. Chapter 6 describes some of the advantages and pitfalls of combining composite rotations. Experimental evaluations of the composite rotations are given in each case. An actual implementation of a quantum information protocol, approximate quantum cloning, is presented in Chapter 7. The dissertation ends with appendices which contain expansions of some equations and detailed calculations of certain composite rotation results, as well as spectrometer pulse sequence programs. (author)

  20. Nuclear magnetic resonance force microscopy at millikelvin temperatures

    NARCIS (Netherlands)

    Haan, Arthur Mattheus Johannes den

    2016-01-01

    Nuclear magnetic resonance force microscopy (MRFM) is a technique which combines magnetic resonance imaging (MRI) with scanning probe microscopy (SPM). The final goal is to develop this technique to such a level that the atomic structure of a virus or protein can be revealed by this microscope. This

  1. 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.

  2. Cellular solid-state Nuclear Magnetic Resonance spectroscopy

    NARCIS (Netherlands)

    Renault, M.A.M.; Tommassen-van Boxtel, H.A.M.; Bos, M.P.; Post, J.A.; Tommassen, J.P.M.; Baldus, M.

    2012-01-01

    Decrypting the structure, function, and molecular interactions of complex molecular machines in their cellular context and at atomic resolution is of prime importance for understanding fundamental physiological processes. Nuclear magnetic resonance is a wellestablished imaging method that can

  3. Nuclear magnetic resonance data of C4H8S

    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'.

  4. 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)

  5. [Nuclear magnetic resonance tomography in gynecologic tumors].

    Science.gov (United States)

    Pfändner, K; Hötzinger, H; Atzinger, A; Ries, G

    1983-09-01

    The article discusses initial experiences of NMR examinations of carcinoma of the uterus and cervix uteri (resistive magnet, NMR prototype of Siemens). All examined carcinomas show prolonged relaxation times. Variation of measurement parameters results in good optical presentation of carcinoma tissue in the resonance scans. The results are compared with those of CT-scans and in one case with the site of the operation.

  6. Pulse Design in Solid-State Nuclear Magnetic Resonance

    DEFF Research Database (Denmark)

    Palani, Ravi Shankar

    The work presented in this dissertation is centred on the theory of experimental methods in solid-state Nuclear Magnetic Resonance (NMR) spectroscopy, which deals with interaction of electromagnetic radiation with nuclei in a magnetic field and possessing a fundamental quantum mechanical property...

  7. Dynamical Nuclear Magnetic Resonance Imaging of Micron-scale Liquids

    Science.gov (United States)

    Sixta, Aimee; Choate, Alexandra; Maeker, Jake; Bogat, Sophia; Tennant, Daniel; Mozaffari, Shirin; Markert, John

    We report our efforts in the development of Nuclear Magnetic Resonance Force Microscopy (NMRFM) for dynamical imaging of liquid media at the micron scale. Our probe contains microfluidic samples sealed in thin-walled (µm) quartz tubes, with a micro-oscillator sensor nearby in vacuum to maintain its high mechanical resonance quality factor. Using 10 µm spherical permalloy magnets at the oscillator tips, a 3D T1-resolved image of spin density can be obtained by reconstruction from our magnetostatics-modelled resonance slices; as part of this effort, we are exploring single-shot T1 measurements for faster dynamical imaging. We aim to further enhance imaging by using a 2 ω technique to eliminate artifact signals during the cyclic inversion of nuclear spins. The ultimate intent of these efforts is to perform magnetic resonance imaging of individual biological cells.

  8. 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.

  9. 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...

  10. 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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Newman, R.J. (Glasgow Western Infirmary (UK))

    1984-09-01

    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.

  12. Chemometric Analysis of Nuclear Magnetic Resonance Spectroscopy Data

    Energy Technology Data Exchange (ETDEWEB)

    ALAM,TODD M.; ALAM,M. KATHLEEN

    2000-07-20

    Chemometric analysis of nuclear magnetic resonance (NMR) spectroscopy has increased dramatically in recent years. A variety of different chemometric techniques have been applied to a wide range of problems in food, agricultural, medical, process and industrial systems. This article gives a brief review of chemometric analysis of NMR spectral data, including a summary of the types of mixtures and experiments analyzed with chemometric techniques. Common experimental problems encountered during the chemometric analysis of NMR data are also discussed.

  13. Energy calibration at LEP using Nuclear Magnetic Resonance probes

    CERN Document Server

    Bravin, Enrico; Mugnai, G

    1998-01-01

    The accurate Standard Model investigations carried out at LEP require knowledge of the beam energies of the order of a few 10-5. The resonant depolarisation method, used for absolute calibration in de dicated experiments, cannot be used to monitor continuously the beam energy during the physics runs. Moreover appreciable polarisation of the beams has not been measured above energies of 55 GeV. A me thod for continuous energy monitoring based on Nuclear Magnetic Resonance (NMR) probes mounted in tunnel magnets has been in use at LEP since 1995. The average field of the dipole magnets is sampled v ia 24 NMR probes mounted in the gap of the C-shaped yokes on top of the vacuum chamber. The probes are distributed over the 27 km of the accelerator. The probes are used for the continuous monitoring of the field during LEP operation and to determine the absolute field value.

  14. 73Ge-Nuclear Magnetic Resonance/Nuclear Quadrupole Resonance Investigation of Magnetic Properties of URhGe

    Science.gov (United States)

    Kotegawa, Hisashi; Fukumoto, Kenta; Toyama, Toshihiro; Tou, Hideki; Harima, Hisatomo; Harada, Atsushi; Kitaoka, Yoshio; Haga, Yoshinori; Yamamoto, Etsuji; Ōnuki, Yoshichika; Itoh, Kohei M.; Haller, Eugene E.

    2015-05-01

    We report on the 73Ge-nuclear magnetic resonance (NMR)/nuclear quadrupole resonance (NQR) results for the ferromagnetic (FM) superconductor URhGe. The magnitude and direction of the internal field, Hint, and the parameters of the electric field gradient at the Ge site were determined experimentally. By using powdered polycrystalline samples oriented by different methods, the field dependences of NMR shift and nuclear spin relaxation rates for H0 || c (easy axis) and H0 || b were obtained. From the NMR shifts for H0 || b, we confirmed a gradual suppression of the Curie temperature and observed a phase separation near the spin reorientation. The observation of the phase separation gives microscopic evidence that the spin reorientation under H0 || b is of first order at low temperatures. The nuclear spin-lattice relaxation rate 1/T1 indicates that the magnetic fluctuations are suppressed for H0 || c, whereas the fluctuations remain strongly for H0 || b. The enhancements of both 1/T1T and the nuclear spin-spin relaxation rate 1/T2 for H0 || b toward the spin reorientation field suggest that the field-induced superconductivity in URhGe emerges under the magnetic fluctuations along the b- and c-axes.

  15. A novel power amplification scheme for nuclear magnetic resonance/nuclear quadrupole resonance systems.

    Science.gov (United States)

    Zhang, Xinwang; Schemm, Nathan; Balkır, Sina

    2011-03-01

    Nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR)-based chemical analysis systems have been widely utilized in various areas such as medicine, security, and academic research. In these applications, the power amplifier stage plays a key role in generating the required oscillating magnetic fields within a radio frequency coil that serves as the probe. However, the bulky size and relatively low efficiency of the traditional power amplification schemes employed present a bottleneck for the realization of compact sized and portable NMR and NQR systems. To address this problem, this work presents a class D voltage-switching power amplification scheme with novel fast-start and fast-stop functions that are suitable for generating ideal NMR and NQR excitation signals. Compared to the traditional analog power amplifiers (PAs), the proposed switched-mode PA can achieve significant improvement on the power efficiency as well as the physical volume. A PA circuit for portable NQR-based explosive detection systems has been designed and built using the proposed scheme with 1 kW possible maximum output power and 10 MHz maximum operating frequency. Test results show that the presented PA achieves more than 60% measured efficiency within a highly compact volume while sustaining fast start and stop of excitation signals in the order of microseconds.

  16. Quadrupole shift of nuclear magnetic resonance of donors in silicon at low magnetic field

    Science.gov (United States)

    Mortemousque, P. A.; Rosenius, S.; Pica, G.; Franke, D. P.; Sekiguchi, T.; Truong, A.; Vlasenko, M. P.; Vlasenko, L. S.; Brandt, M. S.; Elliman, R. G.; Itoh, K. M.

    2016-12-01

    Shifts from the expected nuclear magnetic resonance frequencies of antimony and bismuth donors in silicon of greater than a megahertz are observed in electrically detected magnetic resonance spectra. Defects created by ion implantation of the donors are discussed as the source of effective electric field gradients generating these shifts via quadrupole interaction with the nuclear spins. The experimental results are modeled quantitatively by molecular orbital theory for a coupled pair consisting of a donor and a spin-dependent recombination readout center.

  17. Quadrupole Shift of Nuclear Magnetic Resonance of Donors in Silicon at Low Magnetic Field

    OpenAIRE

    Mortemousque, P. A.; Rosenius, S.; Pica, G.; Franke, D. P.; Sekiguchi, T.; Truong, A.; Vlasenko, M. P.; Vlasenko, L.S.; Brandt, M. S.; Elliman, R. G.; Itoh, K. M.

    2015-01-01

    Shifts from the expected nuclear magnetic resonance frequencies of antimony and bismuth donors in silicon of greater than a megahertz are observed in electrically detected magnetic resonance spectra. Defects created by ion implantation of the donors are discussed as the source of effective electric field gradients generating these shifts via quadrupole interaction with the nuclear spins. The experimental results are modeled quantitatively by molecular orbital theory for a coupled pair consist...

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

    Science.gov (United States)

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

    2014-04-21

    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.

  19. Random matrix theory in biological nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Lacelle, S

    1984-01-01

    The statistical theory of energy levels or random matrix theory is presented in the context of the analysis of chemical shifts of nuclear magnetic resonance (NMR) spectra of large biological systems. Distribution functions for the spacing between nearest-neighbor energy levels are discussed for uncorrelated, correlated, and random superposition of correlated energy levels. Application of this approach to the NMR spectra of a vitamin, an antibiotic, and a protein demonstrates the state of correlation of an ensemble of energy levels that characterizes each system. The detection of coherent and dissipative structures in proteins becomes feasible with this statistical spectroscopic technique. PMID:6478032

  20. Small bowel cancer diagnosis: role of nuclear magnetic resonance

    Directory of Open Access Journals (Sweden)

    Alessandro Morotti

    2015-10-01

    Full Text Available The diagnosis of small intestine tumors is challenging. Even in the era of modern medicine, standard approaches including echography, computed tomography-scan and conventional endoscopy are unable to reveal small bowel lesions. Video-capsule has substantially improved the evaluation of small bowel; however this procedure cannot be proposed to all patients and in particular to those experiencing intestine sub-occlusion. Nuclear magnetic resonance (NMR of the abdomen is an additional diagnostic approach that offers high sensitivity in the identification of small bowel lesions. Here, we describe a case of small bowel neoplasia identified with NMR of the abdomen.

  1. Acoustic characterization of Thiel liver for magnetic resonance-guided focused ultrasound treatment.

    Science.gov (United States)

    Karakitsios, Ioannis; Joy, Joyce; Mihcin, Senay; Melzer, Andreas

    2017-04-01

    The purpose of this work was to measure the essential acoustic parameters, i.e., acoustic impedance, reflection coefficient, attenuation coefficient, of Thiel embalmed human and animal liver. The Thiel embalmed tissue can be a promising, pre-clinical model to study liver treatment with Magnetic Resonance-guided Focused Ultrasound (MRgFUS). Using a single-element transducer and the contact pulse-echo method, the acoustic parameters, i.e., acoustic impedance, reflection coefficient and attenuation coefficient of Thiel embalmed human and animal liver were measured. The Thiel embalmed livers had higher impedance, similar reflection and lower attenuation compared to the fresh tissue. Embalming liver with Thiel fluid affects its acoustic properties. During MRgFUS sonication of a Thiel organ, more focused ultrasound (FUS) will be backscattered by the organ, and higher acoustic powers are required to reach coagulation levels (temperatures >56 °C).

  2. Coplanar photonic bandgap resonators for low temperature electron and nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Sigillito, A. J.; Tyryshkin, A. M.; Lyon, S. A.

    In recent years, superconducting coplanar waveguide (CPW) resonators have become a useful tool for low temperature pulsed electron spin resonance (ESR), even at dilution refrigerator temperatures. Their small mode volumes make CPW resonators particularly well suited to measuring small numbers of spins near the resonator surface, since in this region the spin sensitivity is very high. While these resonators have proven useful for ESR at single microwave frequencies, it is difficult to also manipulate nuclear spins in electron-nuclear-double resonance (ENDOR) experiments, since manipulation of nuclear spins requires radio frequency (RF) magnetic fields. Ideally one would simply generate these fields by passing RF currents through the CPW, but because conventional CPW resonators are capacitively coupled, they will not transmit low-frequency RF currents. In this talk, we discuss the use of one dimensional photonic bandgap (PBG) resonators to overcome this challenge. PBG resonators are a promising alternative to conventional CPW resonators since they offer high quality factors at microwave frequencies, while simultaneously allowing transmission of nonresonant RF currents below the photonic bandgap. Here, we will discuss PBG resonator designs and present data showing their use for low temperature ESR of donors in 28Si. Initial ENDOR results will also be presented.

  3. 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.

  4. Nuclear Magnetic Resonance Spectroscopyan Evolutionary Approach to Drug Design

    Directory of Open Access Journals (Sweden)

    Neeraj Upmanyu

    2007-01-01

    Full Text Available Ever since Nuclear Magnetic Resonance (NMR spectroscopy hit the analytical scene; its capabilities and applications continue to evolve. Originally designed as a way to verify the structure of relatively small compounds, the technology of NMR has exploded and become a valuable means for studying protein structure. NMR has proved to be a valuable tool in pharmaceutical research, as it has entered new arena of drug discovery and structural genomics. NMR can provide information on the three-dimensional structures of small molecules in solution, high-molecular-weight complexes, and the details of enzyme mechanisms that can be used to aid in drug design. In the present scenario, the availability of high magnetic fields; improved software, high resolution probes, and electronics; more versatile pulse programmers; and most importantly the development of 2D, 3D and 4D NMR, have revolutionized the field of drug discovery and development.

  5. 11B nuclear magnetic resonance in boron-doped diamond

    Directory of Open Access Journals (Sweden)

    Miwa Murakami, Tadashi Shimizu, Masataka Tansho and Yoshihiko Takano

    2008-01-01

    Full Text Available This review summarizes recent results obtained by 11B solid-state nuclear magnetic resonance (NMR on boron-doped diamond, grown by the high-pressure high-temperature (HPHT or chemical vapor deposition techniques. Simple single-pulse experiments as well as advanced two-dimensional NMR experiments were applied to the boron sites in diamond. It is shown that magic-angle spinning at magnetic fields above 10 T is suitable for observation of high-resolution 11B spectra of boron-doped diamond. For boron-doped HPHT diamonds, the existence of the excess boron that does not contribute to electrical conductivity was confirmed and its 11B NMR signal was characterized. The point-defect structures (B+H complexes and -B-B-/-B-C-B- clusters, postulated previously for the excess boron, were discarded and graphite-like structures were assigned instead.

  6. Magnetic resonance imaging and nuclear magnetic resonance investigations of bentonite systems

    Energy Technology Data Exchange (ETDEWEB)

    Dvinskikh, Sergey V.; Furo, Istvan (Industrial NMR Centre and Div. of Physical Chemistry, Dept. of Chemistry, Royal Institute of Technology, Stockholm (Sweden))

    2009-09-15

    This report summarizes results from a set of magnetic resonance imaging (MRI) and nuclear magnetic resonance (NMR) experiments performed on Ca and Na montmorillonite samples interacting with water. The primary goal with these studies was to provide, in a non-invasive manner, a quantitative measure of bentonite distribution in extended samples during and after different physical processes such as swelling and sedimentation and on the time scale from minutes to years. Additionally, we also studied the distribution of foreign particles (such as native minerals as well as magnetic model particles) within bentonite systems and performed some diffusion NMR experiments with the aim of characterizing the state of colloids that form after clay dissolution. Both natural montmorillonites and purified and ion-exchanged montmorillonite clays were investigated. The primary variables were clay composition and water ionic strength. Bulk samples confined in a vertical tube and in a horizontal channel were investigated. A critical issue for the stability of clay buffer layer in deep underground repository is to prevent or minimize the release of clay particles into the water phase. In our experiments, the most significant particle losses were found for Na-MX80 clay exposed to water with low ionic strength. With increasing the concentration of CaCl{sub 2} in the water phase both swelling and particle release are slowed down but not completely eliminated due probably to gradual change of water ion content via ion exchange with the clay itself. For natural MX80 samples, in spite of significant swelling expansion, no clay particle release above the sensitivity limit of 0.001 volume% was observed. Ca-MX80 exhibited the smallest expansion and no trace of clay particle released into the aqueous phase

  7. DC SQUID Spectrometers for Nuclear Quadrupole and Low-Field Nuclear Magnetic Resonance Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    TonThat, Dinh M. [Univ. of California, Berkeley, CA (United States)

    1998-04-01

    The dc Superconducting Quantum Interference Device (SQUJD) is a very sensitive detector of magnetic flux, with a typical flux noise of the order of 1 μΦ0Hz-1/2 at liquid helium temperature (Φ0=h/2e). This inherent flux sensitivity of the SQUID is used in a spectrometer for the detection of nuclear magnetic resonance (NMR.)and nuclear quadruple resonance (NQR). The processing magnetic field from the nuclear spins is coupled to the SQUID by mean of a flux transformer. The SQUID NMR spectrometer is used to measure the longitudinal relaxation time T1 of solid 129Xe at 4.2 K down to 0.1 mT.

  8. Quantum information processing by nuclear magnetic resonance on quadrupolar nuclei.

    Science.gov (United States)

    Teles, João; DeAzevedo, Eduardo R; Freitas, Jair C C; Sarthour, Roberto S; Oliveira, Ivan S; Bonagamba, Tito J

    2012-10-13

    Nuclear magnetic resonance is viewed as an important technique for the implementation of many quantum information algorithms and protocols. Although the most straightforward approach is to use the two-level system composed of spin 1/2 nuclei as qubits, quadrupolar nuclei, which possess a spin greater than 1/2, are being used as an alternative. In this study, we show some unique features of quadrupolar systems for quantum information processing, with an emphasis on the ability to execute efficient quantum state tomography (QST) using only global rotations of the spin system, whose performance is shown in detail. By preparing suitable states and implementing logical operations by numerically optimized pulses together with the QST method, we follow the stepwise execution of Grover's algorithm. We also review some work in the literature concerning the relaxation of pseudo-pure states in spin 3/2 systems as well as its modelling in both the Redfield and Kraus formalisms. These data are used to discuss differences in the behaviour of the quantum correlations observed for two-qubit systems implemented by spin 1/2 and quadrupolar spin 3/2 systems, also presented in the literature. The possibilities and advantages of using nuclear quadrupole resonance experiments for quantum information processing are also discussed.

  9. Identification of human appendicitis by in vitro nuclear magnetic resonance.

    Science.gov (United States)

    Jacobs, D O; Settle, R G; Clarke, J R; Trerotola, S O; Sachdeva, A K; Wolf, G L; Rombeau, J L

    1990-02-01

    The spin-lattice relaxation time, T1 as determined by nuclear magnetic resonance techniques, correlates positively with tissue water content. The latter relationship has been observed in rabbits with experimentally induced appendicitis whose inflamed appendiceal tissues had significantly higher T1's and water contents than tissue from normal controls. The present experiment studied these relationships in humans. Tissue water content and T1 were measured on appendiceal tissue from 10 patients with documented appendicitis and from 6 controls without the disease. All T1's were determined within 30-60 min of removal of the appendix at operation. The mean in vitro T1 of appendiceal tissue from patients with appendicitis was significantly higher than that of controls (527 +/- 15 msec versus 430 +/- 17 msec, mean +/- SEM, P less than 0.002). In addition, a strong positive correlation was noted between T1 and tissue water content (r = 0.70, P less than 0.01). Based on these findings, the use of in vivo magnetic resonance imaging techniques to detect human appendicitis noninvasively warrants investigation.

  10. 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.

  11. NUCLEAR MAGNETIC RESONANCE THE GELLED PRODUCT OF CANNIZZARO REACTION

    Directory of Open Access Journals (Sweden)

    Lilia Fernández-Sánchez

    2015-03-01

    Full Text Available The paper presents the nuclear magnetic resonance (NMR of proton 1H, carbon 13C and two dimensional spectrums, product of a green organic synthesis of redox on the Cannizzaro reaction. The product was reported as a tribochemical gel (heterogeneous mixture and confirmed by Infrared Spectroscopy IR, X-ray and scanning electron microscope (SEM. The results in this paper confirm its structure through various techniques of NMR and evaluate the content of sodium benzoate and benzyl alcohol in the spectroscopy sample, examining the values of the integrals on 1H NMR signals. The result of analysis indicates that benzyl alcohol (dispersed phase is in 33.44% mol in comparison with sodium benzoate content (continuous phase. These results confirm that the gel structure over time loses the dispersed phase of the benzyl alcohol producing a xerogel.

  12. Multinuclear solid-state nuclear magnetic resonance of inorganic materials

    CERN Document Server

    MacKenzie, Kenneth J D

    2002-01-01

    Techniques of solid state nuclear magnetic resonance (NMR) spectroscopy are constantly being extended to a more diverse range of materials, pressing into service an ever-expanding range of nuclides including some previously considered too intractable to provide usable results. At the same time, new developments in both hardware and software are being introduced and refined. This book covers the most important of these new developments. With sections addressed to non-specialist researchers (providing accessible answers to the most common questions about the theory and practice of NMR asked by novices) as well as a more specialised and up-to-date treatment of the most important areas of inorganic materials research to which NMR has application, this book should be useful to NMR users whatever their level of expertise and whatever inorganic materials they wish to study.

  13. Characterization of pitches by solid state nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Grint, A.; Proud, G.P.; Poplett, I.J.F.; Bartle, K.D.; Wallace, S.; Matthews, R.S. (The British Petroleum Company plc, Sunbury-on-Thames (UK). BP Research Centre)

    1989-11-01

    Solid petroleum, ethylene-cracker, and coal tar pitches were characterized by {sup 13}C cross-polarization-magic-angle-spinning nuclear magnetic resonance spectroscopy (CP/MAS n.m.r.) and by dipolar dephasing. The relative numbers of carbon atoms were determined by peak synthesis of the dipolar dephased (DD) spectrum and of the difference spectrum between the CP/MAS and DD spectra. Spectra and derived structural information obtained in this way were in good agreement with high-resolution n.m.r. spectra of pitch in solution. Solid state n.m.r. is shown to be an attractive alternative to the recording of spectra of pitches in reactive solvents. 11 refs., 3 figs., 3 tabs.

  14. Microwave-free nuclear magnetic resonance at molecular scales

    Science.gov (United States)

    Wood, James D. A.; Tetienne, Jean-Philippe; Broadway, David A.; Hall, Liam T.; Simpson, David A.; Stacey, Alastair

    2017-01-01

    The implementation of nuclear magnetic resonance (NMR) at the nanoscale is a major challenge, as the resolution of conventional methods is limited to mesoscopic scales. Approaches based on quantum spin probes, such as the nitrogen-vacancy (NV) centre in diamond, have achieved nano-NMR under ambient conditions. However, the measurement protocols require application of complex microwave pulse sequences of high precision and relatively high power, placing limitations on the design and scalability of these techniques. Here we demonstrate NMR on a nanoscale organic environment of proton spins using the NV centre while eliminating the need for microwave manipulation of either the NV or the environmental spin states. We also show that the sensitivity of our significantly simplified approach matches that of existing techniques using the NV centre. Removing the requirement for coherent manipulation while maintaining measurement sensitivity represents a significant step towards the development of robust, non-invasive nanoscale NMR probes. PMID:28671183

  15. DC superconducting quantum interference device usable in nuclear quadrupole resonance and zero field nuclear magnetic spectrometers

    Science.gov (United States)

    Fan, Non Q.; Clarke, John

    1993-01-01

    A spectrometer for measuring the nuclear quadrupole resonance spectra or the zero-field nuclear magnetic resonance spectra generated by a sample is disclosed. The spectrometer uses an amplifier having a dc SQUID operating in a flux-locked loop for generating an amplified output as a function of the intensity of the signal generated by the sample. The flux-locked loop circuit includes an integrator. The amplifier also includes means for preventing the integrator from being driven into saturation. As a result, the time for the flux-locked loop to recover from the excitation pulses generated by the spectrometer is reduced.

  16. Selective magnetic resonance imaging of magnetic nanoparticles by acoustically induced rotary saturation

    National Research Council Canada - National Science Library

    Zhu, Bo; Witzel, Thomas; Jiang, Shan; Huang, Susie Y; Rosen, Bruce R; Wald, Lawrence L

    2016-01-01

    The goal of this study was to introduce a new method to selectively detect iron oxide contrast agents using an acoustic wave to perturb the spin-locked water signal in the vicinity of the magnetic particles...

  17. Development of a micro nuclear magnetic resonance system

    Science.gov (United States)

    Goloshevsky, Artem

    Application of Nuclear Magnetic Resonance (NMR) to on-line/in-line control of industrial processes is currently limited by equipment costs and requirements for installation. A superconducting magnet generating strong fields is the most expensive part of a typical NMR instrument. In industrial environments, fringe magnetic fields make accommodation of NMR instruments difficult. However, a portable, low-cost and low-field magnetic resonance system can be used in virtually any environment. Development of a number of hardware components for a portable, low-cost NMR instrument is reported in this dissertation. Chapter one provides a discussion on a miniaturized Helmholtz spiral radio-frequency (RF) coil (average diameter equal to 3.5 mm) and an NMR probe built around a capillary (outer diameter = 1.59 mm and inner diameter = 1.02 mm) for flow imaging. Experiments of NMR spectroscopy, static and dynamic (flow) imaging, conducted with the use of the miniaturized coil, are described. Chapter two presents a microfabricated package of two biaxial gradient coils and a Helmholtz RF coil. Planar configuration of discrete wires was used to create magnetic field gradients. Performance of the microfabricated gradient coils while imaging water flow compared well with a commercial gradient set of much larger size. Chapter three reports on flow imaging experiments with power law fluids (aqueous solutions of sodium salt of carboxymethyl cellulose (CMC)) of different viscosities, carried out in the NMR probe with the miniaturized RF coil and capillary. Viscosities of the CMC solutions were determined based on the curve fits of the velocity profiles and simultaneous measurements of the flow rates. The curve fits were carried out according to the power law model equations. The NMR viscosity measurements compared well with measurements of the same CMC samples, performed on a conventional rotational rheometer. A portable, home-built transceiver, designed for NMR applications utilizing a

  18. Nuclear magnetic resonance experiments with dc SQUID amplifiers

    Energy Technology Data Exchange (ETDEWEB)

    Heaney, M.B. (California Univ., Berkeley, CA (USA). Dept. of Physics Lawrence Berkeley Lab., CA (USA))

    1990-11-01

    The development and fabrication of dc SQUIDs (Superconducting QUantum Interference Devices) with Nb/Al{sub 2}O{sub 3}/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 {times} 10{sup 17} 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 NaClO{sub 3} 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.

  19. Nuclear magnetic resonance experiments with DC SQUID amplifiers

    Science.gov (United States)

    Heaney, M. B.

    1990-11-01

    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 10(exp 17) 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.

  20. Fissile and Non-Fissile Material Detection Using Nuclear Acoustic Resonance Signatures

    Energy Technology Data Exchange (ETDEWEB)

    Bernhard R. Tittmann; P.M. Lenahan; David Spears; Rhys Williams

    2008-11-25

    The objective of this project is to develop anovel technique for remote, non-destructive, non-radiation-based detection of materials of interest to Nonproliferation Programs. We propse the development of a detection system based on magnetic resonance principles (NAR), which would work where radiation detection is not possible. The approach would be non-intrusive, penetrating, applicable to many materials of interest for Nonproliferation, and be able to identify the nuclear samples under investigation.

  1. Nuclear magnetic resonance in food analysis; La risonanza magnetica nucleare nel campo agro-alimentare

    Energy Technology Data Exchange (ETDEWEB)

    Biancifiori, M. A.; Lamanna, R. [ENEA, Divisione Biotecnologie e Agricoltura, Rome (Italy); Mannina, L. [Campobasso, Universita' del Molise, Campobasso (Italy). Facolta' di Scienze Matematiche Fisiche Naturali; Segre, A. [Consiglio Nazionale delle Ricerche, Istituto di Chimica Nucleare, Rome (Italy)

    2001-04-01

    Nuclear magnetic resonance is a spectroscopic technique that is being used more and more widely to characterise nearly all kinds of food. It is increasingly applied in analysing both liquid and solid products to verify their quality, freshness and origin, and the absence of any adulterants. [Italian] La risonanza magnetica nucleare e' una tecnica spettroscopica sempre piu' popolare nella caratterizzazione di quasi tutti gli alimenti e trova sempre maggiore applicazione nell'analisi approfondita di prodotti, sia liquidi che solidi, al fine di verficarne la qualita', la freschezza, l'origine e l'assenza di sofisticazioni.

  2. Nuclear magnetic resonance studies of macroscopic morphology and dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Barrall, Geoffrey Alden [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.

  3. Updated methodology for nuclear magnetic resonance characterization of shales

    Science.gov (United States)

    Washburn, Kathryn E.; Birdwell, Justin E.

    2013-08-01

    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.

  4. 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.

  5. Two-dimensional nuclear magnetic resonance of quadrupolar systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shuanhu [Univ. of California, Berkeley, CA (United States)

    1997-09-01

    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.

  6. High Performance Nuclear Magnetic Resonance Imaging Using Magnetic Resonance Force Microscopy

    Science.gov (United States)

    2013-12-12

    We collected hysteresis curves to investigate the ferromagnetism as reported in the literature [34]. For our measurements, we took both eld cooled...Micron-Size Ferromagnet . Physical Review Letters, 92(3) 037205 (2004) [22] A. Z. Genack and A. G. Redeld. Theory of nuclear spin diusion in a...International Workshop on Spin Mechanics, Tokai,Japan, 24–26 February 2013, “Nanoscale scanning probe ferromagnetic resonance imaging using localized

  7. Acoustic field characterization of a clinical magnetic resonance-guided high-intensity focused ultrasound system inside the magnet bore.

    Science.gov (United States)

    Kothapalli, Satya V V N; Altman, Michael B; Partanen, Ari; Wan, Leighton; Gach, H Michael; Straube, William; Hallahan, Dennis E; Chen, Hong

    2017-09-01

    With the expanding clinical application of magnetic resonance-guided high-intensity focused ultrasound (MR-HIFU), acoustic field characterization of MR-HIFU systems is needed for facilitating regulatory approval and ensuring consistent and safe power output of HIFU transducers. However, the established acoustic field measurement techniques typically use equipment that cannot be used in a magnetic resonance imaging (MRI) suite, thus posing a challenge to the development and execution of HIFU acoustic field characterization techniques. In this study, we developed and characterized a technique for HIFU acoustic field calibration within the MRI magnet bore, and validated the technique with standard hydrophone measurements outside of the MRI suite. A clinical Philips MR-HIFU system (Sonalleve V2, Philips, Vantaa, Finland) was used to assess the proposed technique. A fiber-optic hydrophone with a long fiber was inserted through a 24-gauge angiocatheter and fixed inside a water tank that was placed on the HIFU patient table above the acoustic window. The long fiber allowed the hydrophone control unit to be placed outside of the magnet room. The location of the fiber tip was traced on MR images, and the HIFU focal point was positioned at the fiber tip using the MR-HIFU therapy planning software. To perform acoustic field mapping inside the magnet, the HIFU focus was positioned relative to the fiber tip using an MRI-compatible 5-axis robotic transducer positioning system embedded in the HIFU patient table. To perform validation measurements of the acoustic fields, the HIFU table was moved out of the MRI suite, and a standard laboratory hydrophone measurement setup was used to perform acoustic field measurements outside the magnetic field. The pressure field scans along and across the acoustic beam path obtained inside the MRI bore were in good agreement with those obtained outside of the MRI suite. At the HIFU focus with varying nominal acoustic powers of 10-500 W, the

  8. Magnetic structure and interlayer exchange coupling in spring magnets-studied via nuclear resonant scattering

    Energy Technology Data Exchange (ETDEWEB)

    Klein, T. [Institut fuer Physik, Universitaet Rostock, August-Bebel-Str. 55, 18055 Rostock (Germany)]. E-mail: klein@physik1.uni-rostock.de; Roehlsberger, R. [Deutsches Elektronen Synchrotron DESY, Notkestrasse 85, 22607 Hamburg (Germany); Crisan, O. [Institut fuer Physik, Universitaet Rostock, August-Bebel-Str. 55, 18055 Rostock (Germany); National Institute for Materials Physics, PO Box MG-7, 77125 Bucharest (Romania); Schlage, K. [Institut fuer Physik, Universitaet Rostock, August-Bebel-Str. 55, 18055 Rostock (Germany); Burkel, E. [Institut fuer Physik, Universitaet Rostock, August-Bebel-Str. 55, 18055 Rostock (Germany)

    2006-12-05

    Magnetic properties of FePt/Ag/Fe and FePt/Pd/Fe layer systems, prepared by magnetron sputtering, were investigated using the nuclear resonant forward scattering of synchrotron radiation. This technique allows the accurate determination of magnetic hyperfine field orientations by using an extremely thin {sup 57}Fe probe layer suitably embedded within the soft magnetic layer. From an evaluation of these measurements within a one-dimensional micromagnetic model, the interlayer exchange coupling constants between the magnetically hard (FePt) and soft (Fe) layers were determined as function of the Ag and Pd interlayer thickness. The interlayer thickness dependence of the bilinear coupling constants provides evidence for the superposition of Ruderman-Kittel-Kasuya-Yoshida coupling and a magnetostatic interaction between the magnetic layers.

  9. Quantification of lipoprotein profiles by nuclear magnetic resonance spectroscopy and multivariate data analysis

    DEFF Research Database (Denmark)

    Aru, Violetta; Lam, Chloie; Khakimov, Bekzod

    2017-01-01

    Lipoproteins and their subfraction profiles have been associated to diverse diseases including Cardio Vascular Disease (CVD). There is thus a great demand for measuring and quantifying the lipoprotein profile in an efficient and accurate manner. Nuclear Magnetic Resonance (NMR) spectroscopy...

  10. 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.

  11. Fluorine in silicate glasses: A multinuclear nuclear magnetic resonance study

    Energy Technology Data Exchange (ETDEWEB)

    Schaller, T.; Dingwell, D.B.; Keppler, H.; Merwin, L.; Sebald, A. (Univ. Bayreuth (West Germany)); Knoeller, W. (Bruker Analytische Messtechnik, Rheinstetten (West Germany))

    1992-02-01

    Anhydrous nepheline, jadeite, and albite glasses doped with F as well as hydrous F-containing haplogranitic glasses were investigated using {sup 19}F combined rotation and multiple-pulse spectroscopy; {sup 19}F {yields} {sup 29}Si cross-polarization/magic angle spinning (MAS); and high-power {sup 19}F decoupled {sup 29}Si, {sup 23}Na, and {sup 27}Al MAS nuclear magnetic resonance methods. Fluorine preferentially coordinates with Al to form octahedral AlF{sub 6}{sup 3{minus}} complexes in all glasses studied. In addition, F anions bridging two Al cations, units containing octahedral Al coordinated by both O and F, or tetrahedral Al-F complexes might be present. The presence of Si-F bonds cannot be entirely ruled out but appears unlikely on the basis of the {sup 19}F {yields} {sup 29}Si CP/MAS spectra. There is no evidence for any significant coordination of F with alkalis in the glasses studied. Over the range of F contents studied (up to 5 wt.%), there seems to be hardly any dependence of F speciation on the concentration of F in the samples. The spectroscopic results explain the decrease of the viscosity of silicate melts with increasing F content by removal of Al from bridging AlO{sub 4}-units due to complexing with F, which causes depolymerization of the melt. The same mechanism can account for the shift of the eutectic point in the haplogranite system to more feldspar-rich compositions with increasing F content, and for the peraluminous composition of most F-rich granites. Liquid immiscibility in F-rich granitic melts might be caused by formation of (Na,K){sub 3}AlF{sub 6} units in the melt with little or no interaction with the silicate component. The presence of F in granitic melts might increase the solubility of high field strength cations by making nonbridging O atoms available which form complexes with these cations.

  12. Science and history explored by nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Baias, Maria Antoaneta

    2009-07-01

    Nuclear Magnetic Resonance was chosen as the main tool for investigating different biological and chemical systems, as it is unique in providing the information details about the morphology and molecular structures and conformations by which the fundamental properties of these biological and chemical systems can be understood. Proton spin-diffusion experiments combined with {sup 13}C CPMAS spectroscopy were successfully applied to characterize the changes that occur during the thermal denaturation of keratin fibers from wool and hair. A model describing both the effect of thermal denaturation and the effect of different chemical treatments on keratin fibers is presented. Proton NMR spectroscopy was used for studying the proton exchange in Sulfonated Polyether Ether Ketone proton exchange membranes revealing that the water exchange processes in hydrated SPEEK-silica membranes are more efficient when low concentrations of polyethoxysiloxane (PEOS) are used for the membrane preparation. Proton 1D exchange spectroscopy combined with transverse relaxation measurements offered good insight in the state of water in hydrated SPEEK/SiO{sub 2} membranes revealing that concentrations of 5%-10% wt. PEOS could enhance the electrical conductivity of PEM. Hyperpolarized {sup 129}Xe NMR spectroscopy was successfully applied for monitoring the free radical polymerization reactions of methyl methacrylate, methyl acrylate and the copolymerization of methyl methacrylate and methyl acrylate. The observation of Xe chemical shift and linewidths during the reactions reveal information about the polymer chain growths during the polymerizations. The successful application of the NMR-MOUSE to visualise the different anatomical layers with varying proton densities opens the possibility of its use in clinical studies such as osteoporosis for bone density measurements. The NMR-MOUSE was also successfully applied for the analysis of violins and bows and a classification of the violins and bows

  13. Novel nuclear magnetic resonance techniques for studying biological molecules

    Energy Technology Data Exchange (ETDEWEB)

    Laws, David Douglas [Univ. of California, Berkeley, CA (United States)

    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 (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.

  14. 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).

  15. 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.

  16. Universal quantum control in zero-field nuclear magnetic resonance

    Science.gov (United States)

    Bian, Ji; Jiang, Min; Cui, Jiangyu; Liu, Xiaomei; Chen, Botao; Ji, Yunlan; Zhang, Bo; Blanchard, John; Peng, Xinhua; Du, Jiangfeng

    2017-05-01

    This paper describes a general method for the manipulation of nuclear spins in zero magnetic field. In the absence of magnetic fields, the spins lose the individual information on chemical shifts and inequivalent spins can only be distinguished by nuclear gyromagnetic ratios and spin-spin couplings. For spin-1/2 nuclei with different gyromagnetic ratios (i.e., different species) in zero magnetic field, we describe the scheme to realize a set of universal quantum logic gates, e.g., arbitrary single-qubit gates and a two-qubit controlled-not gate. This method allows for universal quantum control in systems which might provide promising applications in materials science, chemistry, biology, quantum information processing, and fundamental physics.

  17. Enhancement and Passive Acoustic Mapping of Cavitation from Fluorescently Tagged Magnetic Resonance-Visible Magnetic Microbubbles In Vivo.

    Science.gov (United States)

    Crake, Calum; Owen, Joshua; Smart, Sean; Coviello, Christian; Coussios, Constantin-C; Carlisle, Robert; Stride, Eleanor

    2016-12-01

    Previous work has indicated the potential of magnetically functionalized microbubbles to localize and enhance cavitation activity under focused ultrasound exposure in vitro. The aim of this study was to investigate magnetic targeting of microbubbles for promotion of cavitation in vivo. Fluorescently labelled magnetic microbubbles were administered intravenously in a murine xenograft model. Cavitation was induced using a 0.5-MHz focused ultrasound transducer at peak negative focal pressures of 1.2-2.0 MPa and monitored in real-time using B-mode imaging and passive acoustic mapping. Magnetic targeting was found to increase the amplitude of the cavitation signal by approximately 50% compared with untargeted bubbles. Post-exposure magnetic resonance imaging indicated deposition of magnetic nanoparticles in tumours. Magnetic targeting was similarly associated with increased fluorescence intensity in the tumours after the experiments. These results suggest that magnetic targeting could potentially be used to improve delivery of cavitation-mediated therapy and that passive acoustic mapping could be used for real-time monitoring of this process. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  18. Studies of Energy-Relevant Materials by Nuclear Magnetic Resonance

    Science.gov (United States)

    Cui, Jinfang

    In this thesis, we have used nuclear magnetic resonance (NMR) as a local probe to microscopically study three different families of energy-relevant complex materials, namely the 122 Fe-based superconductors Ca(Fe1-xCox)2As2, GeTe-based thermoelectric tellurides GeTe and detonation nanodiamond. In Chapter 3 and Chapter 4, we investigated the Co substitution effects on static and dynamic magnetic properties of the single-crystalline Ca(Fe 1-xCox)2As2 (x = 0, 0.023, 0.028, 0.033, 0.059) via 75As NMR and resistivity measurements. Robustness of the Fe magnetic moments was evidenced by only slight decreases of Hint, although T N is strongly suppressed with Co substitution in antiferromagnetic (AFM) state. In the paramagnetic (PM) state, the temperature dependence of Knight shift K for all crystals shows similar T-dependence of magnetic susceptibility chi. The spin fluctuations with the q = 0 components are suppressed with Delta/k B. On the other hand, the growth of the stripe-type AFM fluctuations with q = (pi, 0) or (0, pi) upon cooling in the PM state for all samples is evidenced by the T-dependence of (1/ T1Tchi). A pseudogap-like phenomenon, i.e., suppression of the AFM spin fluctuations, was discovered with decreasing temperature below a x-independent characteristic temperature T* ( 100 K) in samples with x ≥ 0.028. In addition, clear evidence for the coexistence and competition of the stripe-type antiferromagnetic and ferromagnetic (FM) spin correlations was given by modified Korringa ratio analysis in Chapter 4. In Chapter 5, we have carried out 125Te NMR measurements to study the electronic properties of Ge50Te50, Ag 2Ge48Te50 and Sb2Ge48Te 50. NMR shift K and 1/T1T of Ge50Te50 are nearly temperature independent at T electron correlations, while Korringa ratio increases slightly at high temperature, suggesting the slight enhancement of the electron correlation. In Chapter 6 and Chapter 7, we have used 13C NMR spectral editing technique to accurately analyze the

  19. Advances in electronics prompt a fresh look at continuous wave (CW) nuclear magnetic resonance (NMR)

    OpenAIRE

    Newton, MI; Breeds, EA; Morris, RH

    2017-01-01

    Continuous Wave Nuclear Magnetic Resonance (CW-NMR) was a popular method for sample interrogation at the birth of magnetic resonance but has since been overlooked by most in favor of the now more popular pulsed techniques. CW-NMR requires relatively simple electronics although, for most designs, the execution is critical to the successful implementation and sensitivity of the system. For decades there have been reports in the literature from academic groups showing the potential of magnetic r...

  20. Highly sensitive detection of protein biomarkers via nuclear magnetic resonance biosensor with magnetically engineered nanoferrite particles.

    Science.gov (United States)

    Jeun, Minhong; Park, Sungwook; Lee, Hakho; Lee, Kwan Hyi

    Magnetic-based biosensors are attractive for on-site detection of biomarkers due to the low magnetic susceptibility of biological samples. Here, we report a highly sensitive magnetic-based biosensing system that is composed of a miniaturized nuclear magnetic resonance (NMR) device and magnetically engineered nanoferrite particles (NFPs). The sensing performance, also identified as the transverse relaxation (R2) rate, of the NMR device is directly related to the magnetic properties of the NFPs. Therefore, we developed magnetically engineered NFPs (MnMg-NFP) and used them as NMR agents to exhibit a significantly improved R2 rate. The magnetization of the MnMg-NFPs was increased by controlling the Mn and Mg cation concentration and distribution during the synthesis process. This modification of the Mn and Mg cation directly contributed to improving the R2 rate. The miniaturized NMR system, combined with the magnetically engineered MnMg-NFPs, successfully detected a small amount of infectious influenza A H1N1 nucleoprotein with high sensitivity and stability.

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

    Energy Technology Data Exchange (ETDEWEB)

    Goodson, Boyd McLean [Univ. of California, Berkeley, CA (United States)

    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.

  2. Magnetic Resonance Force Microscopy System

    Data.gov (United States)

    Federal Laboratory Consortium — The Magnetic Resonance Force Microscopy (MRFM) system, developed by ARL, is the world's most sensitive nuclear magnetic resonance (NMR) spectroscopic analysis tool,...

  3. 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.

  4. Non-resonant interacting ion acoustic waves in a magnetized plasma

    Energy Technology Data Exchange (ETDEWEB)

    Maccari, Attilio [Technical Institute ' G Cardano' , Monterotondo, Rome (Italy)

    1999-01-29

    We perform an analytical and numerical investigation of the interaction among non-resonant ion acoustic waves in a magnetized plasma. Waves are supposed to be non-resonant, i.e. with different group velocities that are not close to each other. We use an asymptotic perturbation method, based on Fourier expansion and spatio-temporal rescaling. We show that the amplitude slow modulation of Fourier modes cannot be described by the usual nonlinear Schroedinger equation but by a new model system of nonlinear evolution equations. This system is C-integrable, i.e. it can be linearized through an appropriate transformation of the dependent and independent variables. We demonstrate that a subclass of solutions gives rise to envelope solitons. Each envelope soliton propagates with its own group velocity. During a collision solitons maintain their shape, the only change being a phase shift. Numerical results are used to check the validity of the asymptotic perturbation method. (author)

  5. 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.

  6. 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 intera...

  7. Multiple-quantum nuclear magnetic resonance studies of sodium-23 in model and biological systems

    Energy Technology Data Exchange (ETDEWEB)

    Pekar, J.J.

    1988-01-01

    Time-domain multiple-quantum nuclear magnetic resonance spectroscopy is applied to sodium-23 in gels, liquid crystals, cell suspensions, and intact human limbs. In many biological systems, interactions between the nuclear electric quadrupole moment and fluctuating electric field gradients cause the outer transitions, which contribute 60% of the nuclear magnetic resonance signal from the spin-3/2 nuclei, to relax faster than the central transition, which contributes the remains in 40% of the signal. New multiple-quantum experiments, designed specifically for quadrupolar spin-3/2 nuclei, reveal much information not usually available from conventional nuclear magnetic resonance spectroscopy, because they allow indirect measurement of the rapid relaxation rate of the outer transitions, and may highlight the distribution of sodium ions among microscopic physiological compartments such as intracellular space, the interstitium, and the vasculature. The use of venous occlusion plethysmography to alter this distribution is discussed.

  8. Educational simulator app and web page for exploring Nuclear and Compass Magnetic Resonance

    DEFF Research Database (Denmark)

    Hanson, Lars G.

    experimentation that improves understanding of basic MR phenomena. The simulator is used to introduce and explore electromagnetism, magnetic dipoles, static and radiofrequency fields, Compass MR, the free induction decay (FID), relaxation, the Fourier transform (FFT), the resonance condition, spin, precession......, the corresponding classical equation of motion for a compass needle in similar fields is used to simulate Compass Magnetic Resonance (CMR) that is similar to NMR except for needle vibration substituting nuclear precession. The nuclear Bloch vector moves like the magnetic moment of a classical rotating charge...

  9. Magnetism and Superconductivity in Iron-based Superconductors as Probed by Nuclear Magnetic Resonance

    CERN Document Server

    Hammerath, Franziska

    2012-01-01

    Nuclear Magnetic Resonance (NMR) has been a fundamental player in the studies of superconducting materials for many decades. This local probe technique allows for the study of the static electronic properties as well as of the low energy excitations of the electrons in the normal and the superconducting state. On that account it has also been widely applied to Fe-based superconductors from the very beginning of their discovery in February 2008. This dissertation comprises some of these very first NMR results, reflecting the unconventional nature of superconductivity and its strong link to magnetism in the investigated compounds LaO1–xFxFeAs and LiFeAs.

  10. Nuclear magnetic resonance imaging of lipid in living plants.

    Science.gov (United States)

    Borisjuk, Ljudmilla; Rolletschek, Hardy; Neuberger, Thomas

    2013-10-01

    This review highlights technological developments in magnetic resonance imaging (MRI), which are creating opportunities for the three dimensional visualization and quantification of lipids in plant materials. A major feature of MRI is that it is a non-invasive platform, and thus can be used for the analysis of living organisms. An overview of the theoretical aspects of MRI is provided, followed by a description of the various analytical modes available, and an explanation of how MRI can be applied to plant samples and what it can achieve. Various lipid maps and three dimensional models of seeds and fruits are included to demonstrate the potential of MRI and to exemplify recent cutting-edge advances in the field. The importance and prospects of the imaging of lipids in living plants, as well as the integration of lipid imaging with other emerging techniques, are outlined to provide impetus for future plant lipid research. Copyright © 2013 Elsevier Ltd. All rights reserved.

  11. Development and applications of NMR (nuclear magnetic resonance) in low fields and zero field

    Energy Technology Data Exchange (ETDEWEB)

    Bielecki, A.

    1987-05-01

    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.

  12. a Magnetization and Nuclear Magnetic Resonance Study of Nickel-Based Metallic Glasses.

    Science.gov (United States)

    Paolino, Richard Nicholas

    This work presents and discusses the results of nuclear magnetic resonance (NMR) (both pulse and continuous wave) and magnetization measurements of the melt spun metallic glass systems: Ni_{100-x}P_ {x} (18 magnetization measurements have been carried out for temperatures 4.2 ^circ K magnetic fields H work, along with the three systems previously studied ((Ni_{0.50}Pd _{0.50})_{100-x}P_ {x}, (Ni_{y}Pd_{1 -y})_{80}P_{20} and (Ni_{y}Pt_{1-y })_{75}P_{25}), represent a complete and systematic combination of amorphous alloys in which both the metalloid concentration and relative transition metal composition are varied. Both the ^{31}P Knight shift and nuclear spin-lattice relaxation rate in these systems decrease with increasing P concentration, x, however, they do not depend on the relative Ni composition, y, nor whether the second transition metal is Pd or Pt. The ^ {31}P resonance line is somewhat asymmetric with a linewidth that increases with increasing frequency, which is indicative of a broadening mechanism resulting from a distribution of Knight shifts, and a direct consequence of the P atoms having a variety of environments in the glassy atomic structure. The magnetization measurements yielded susceptibility values which also decreased with increasing P concentration, x, and, in addition, demonstrated a systematic variation with the relative transition metal composition, y, which correlated with the ^ {195}Pt Knight shift behavior. The Ni _{100-x}P_{x} magnetic susceptibilities contained a local moment contribution which could be described by the Curie law (theta ~ 0) and was attributed to superparamagnetic Ni clusters. Fittings to the Brillouin function yielded the same local magnetic moment value of approximately 7.0 mu_{B} for all five Ni_{100-x}P_{x} alloys, however, different moment concentrations. All of these results are discussed in the light of various band models for the electronic structure, electronic charge transfer from the metalloid atoms to the

  13. 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

  14. Rotatable Small Permanent Magnet Array for Ultra-Low Field Nuclear Magnetic Resonance Instrumentation: A Concept Study

    Science.gov (United States)

    Vegh, Viktor; Reutens, David C.

    2016-01-01

    Object We studied the feasibility of generating the variable magnetic fields required for ultra-low field nuclear magnetic resonance relaxometry with dynamically adjustable permanent magnets. Our motivation was to substitute traditional electromagnets by distributed permanent magnets, increasing system portability. Materials and Methods The finite element method (COMSOL®) was employed for the numerical study of a small permanent magnet array to calculate achievable magnetic field strength, homogeneity, switching time and magnetic forces. A manually operated prototype was simulated and constructed to validate the numerical approach and to verify the generated magnetic field. Results A concentric small permanent magnet array can be used to generate strong sample pre-polarisation and variable measurement fields for ultra-low field relaxometry via simple prescribed magnet rotations. Using the array, it is possible to achieve a pre-polarisation field strength above 100 mT and variable measurement fields ranging from 20–50 μT with 200 ppm absolute field homogeneity within a field-of-view of 5 x 5 x 5 cubic centimetres. Conclusions A dynamic small permanent magnet array can generate multiple highly homogeneous magnetic fields required in ultra-low field nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) instruments. This design can significantly reduce the volume and energy requirements of traditional systems based on electromagnets, improving portability considerably. PMID:27271886

  15. Rotatable Small Permanent Magnet Array for Ultra-Low Field Nuclear Magnetic Resonance Instrumentation: A Concept Study.

    Directory of Open Access Journals (Sweden)

    Michael W Vogel

    Full Text Available We studied the feasibility of generating the variable magnetic fields required for ultra-low field nuclear magnetic resonance relaxometry with dynamically adjustable permanent magnets. Our motivation was to substitute traditional electromagnets by distributed permanent magnets, increasing system portability.The finite element method (COMSOL® was employed for the numerical study of a small permanent magnet array to calculate achievable magnetic field strength, homogeneity, switching time and magnetic forces. A manually operated prototype was simulated and constructed to validate the numerical approach and to verify the generated magnetic field.A concentric small permanent magnet array can be used to generate strong sample pre-polarisation and variable measurement fields for ultra-low field relaxometry via simple prescribed magnet rotations. Using the array, it is possible to achieve a pre-polarisation field strength above 100 mT and variable measurement fields ranging from 20-50 μT with 200 ppm absolute field homogeneity within a field-of-view of 5 x 5 x 5 cubic centimetres.A dynamic small permanent magnet array can generate multiple highly homogeneous magnetic fields required in ultra-low field nuclear magnetic resonance (NMR and magnetic resonance imaging (MRI instruments. This design can significantly reduce the volume and energy requirements of traditional systems based on electromagnets, improving portability considerably.

  16. 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

  17. The design of photoelectric signal processing system for a nuclear magnetic resonance gyroscope based on FPGA

    Science.gov (United States)

    Zhang, Xian; Zhou, Binquan; Li, Hong; Zhao, Xinghua; Mu, Weiwei; Wu, Wenfeng

    2017-10-01

    Navigation technology is crucial to the national defense and military, which can realize the measurement of orientation, positioning, attitude and speed for moving object. Inertial navigation is not only autonomous, real-time, continuous, hidden, undisturbed but also no time-limited and environment-limited. The gyroscope is the core component of the inertial navigation system, whose precision and size are the bottleneck of the performance. However, nuclear magnetic resonance gyroscope is characteristic of the advantage of high precision and small size. Nuclear magnetic resonance gyroscope can meet the urgent needs of high-tech weapons and equipment development of new generation. This paper mainly designs a set of photoelectric signal processing system for nuclear magnetic resonance gyroscope based on FPGA, which process and control the information of detecting laser .The photoelectric signal with high frequency carrier is demodulated by in-phase and quadrature demodulation method. Finally, the processing system of photoelectric signal can compensate the residual magnetism of the shielding barrel and provide the information of nuclear magnetic resonance gyroscope angular velocity.

  18. [Quantification and improvement of speech transmission performance using headphones in acoustic stimulated functional magnetic resonance imaging].

    Science.gov (United States)

    Yamamura, Ken ichiro; Takatsu, Yasuo; Miyati, Tosiaki; Kimura, Tetsuya

    2014-10-01

    Functional magnetic resonance imaging (fMRI) has made a major contribution to the understanding of higher brain function, but fMRI with auditory stimulation, used in the planning of brain tumor surgery, is often inaccurate because there is a risk that the sounds used in the trial may not be correctly transmitted to the subjects due to acoustic noise. This prompted us to devise a method of digitizing sound transmission ability from the accuracy rate of 67 syllables, classified into three types. We evaluated this with and without acoustic noise during imaging. We also improved the structure of the headphones and compared their sound transmission ability with that of conventional headphones attached to an MRI device (a GE Signa HDxt 3.0 T). We calculated and compared the sound transmission ability of the conventional headphones with that of the improved model. The 95 percent upper confidence limit (UCL) was used as the threshold for accuracy rate of hearing for both headphone models. There was a statistically significant difference between the conventional model and the improved model during imaging (p < 0.01). The rate of accuracy of the improved model was 16 percent higher. 29 and 22 syllables were accurate at a 95% UCL in the improved model and the conventional model, respectively. This study revealed the evaluation system used in this study to be useful for correctly identifying syllables during fMRI.

  19. Nuclear Magnetic Resonance Imaging in Endodontics: A Review.

    Science.gov (United States)

    Di Nardo, Dario; Gambarini, Gianluca; Capuani, Silvia; Testarelli, Luca

    2018-02-06

    This review analyzes the increasing role of magnetic resonance imaging (MRI) in dentistry and its relevance in endodontics. Limits and new strategies to develop MRI protocols for endodontic purposes are reported and discussed. Eligible studies were identified by searching the PubMed databases. Only original articles on dental structures, anatomy, and endodontics investigated by in vitro and in vivo MRI were included in this review. Original articles on MRI in dentistry not concerning anatomy and endodontics were excluded. All the consulted studies showed well-defined images of pathological conditions such as caries and microcracks. The enhanced contrast of pulp provided a high-quality reproduction of the tooth shape and root canal in vitro and in vivo. Assessment of periapical lesions is possible even without the use of contrast medium. MRI is a nonionizing technique characterized by high tissue contrast and high image resolution of soft tissues; it could be considered a valid and safe diagnostic investigation in endodontics because of its potential to identify pulp tissues, define root canal shape, and locate periapical lesions. Copyright © 2018 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

  20. Acoustic noise in functional magnetic resonance imaging reduces pain unpleasantness ratings.

    Science.gov (United States)

    Boyle, Y; Bentley, D E; Watson, A; Jones, A K P

    2006-07-01

    Functional magnetic resonance imaging (fMRI) is increasingly used in cognitive studies. Unfortunately, the scanner produces acoustic noise during the image acquisition process. Interference from acoustic noise is known to affect auditory, visual and motor processing, raising the possibility that acoustic interference may also modulate processing of other sensory modalities such as pain. With the increasing use of fMRI in the investigation of the mechanisms of pain perception, particularly in relation to attention, this issue has become highly relevant. Pain is a complex experience, composed of sensory-discriminative, affective-motivational and cognitive-evaluative components. The aim of this experiment was to assess the effect of MRI scanner noise, compared to white noise, on the affective (unpleasantness) and the sensory-discriminative (localisation) components of pain. Painful radiant heat from a CO(2) laser was delivered to the skin of the right forearm in 24 healthy volunteers. The volunteers attended to either pain location or pain unpleasantness during three conditions: i) no noise, ii) exposure to MRI scanner noise (85 dB) or iii) exposure to white noise (85 dB). Both MRI scanner noise and white noise significantly reduced unpleasantness ratings (from 5.1 +/- 1.6 in the control condition to 4.7 +/- 1.5 (P = 0.002) and 4.6 +/- 1.6 (P white noise respectively), whereas the ability to localise pain was not significantly affected (from 85.4 +/- 9.2% correct in the control condition to 83.1 +/- 10.3% (P = 0.06) and 83.9 +/- 9.5% (P = 0.27) with MRI scanner and white noise respectively). This phenomenon should be taken into account in the design of fMRI studies into human pain perception.

  1. Nuclear Magnetic Resonance of Laser-Polarized Noble Gases in Molecules, Materials, and Organisms

    Science.gov (United States)

    Goodson, Boyd M.

    2002-04-01

    The sensitivity of conventional nuclear magnetic resonance (NMR) techniques is fundamentally limited by 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 review describes the principles and magnetic resonance applications of laser-polarized noble gases. The enormous sensitivity enhancement afforded by optical pumping can be exploited to permit a variety of novel NMR experiments across numerous 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, NMR sensitivity enhancement via polarization transfer, and low-field NMR and MRI.

  2. Unipolar and Bipolar High-Magnetic-Field Sensors Based on Surface Acoustic Wave Resonators

    Science.gov (United States)

    Polewczyk, V.; Dumesnil, K.; Lacour, D.; Moutaouekkil, M.; Mjahed, H.; Tiercelin, N.; Petit Watelot, S.; Mishra, H.; Dusch, Y.; Hage-Ali, S.; Elmazria, O.; Montaigne, F.; Talbi, A.; Bou Matar, O.; Hehn, M.

    2017-08-01

    While surface acoustic wave (SAW) sensors have been used to measure temperature, pressure, strains, and low magnetic fields, the capability to measure bipolar fields and high fields is lacking. In this paper, we report magnetic surface acoustic wave sensors that consist of interdigital transducers made of a single magnetostrictive material, either Ni or TbFe2 , or based on exchange-biased (Co /IrMn ) multilayers. By controlling the ferromagnet magnetic properties, high-field sensors can be obtained with unipolar or bipolar responses. The issue of hysteretic response of the ferromagnetic material is especially addressed, and the control of the magnetic properties ensures the reversible behavior in the SAW response.

  3. Phosphorus-31 nuclear magnetic resonance study of polyphosphate metabolism in intact ectomycorrhizal fungi

    Energy Technology Data Exchange (ETDEWEB)

    Martin, F. (Institut National de la Recherche Agronomique, Centre National de Recherches Forestieres, 54 - Champenoux (France). Unite de Microbiologie des Sols); Canet, D.; Marchal, J.P. (Nancy-1 Univ., 54 (France). Lab. de Chimie Theorique); Larher, F.; Rolin, D. (Nancy-1 Univ., 54 (France). Lab. de Biologie Vegetale)

    1983-01-01

    Phosphorus-31 nuclear magnetic resonance spectra at 36.4 MHz are presented for intact ectomycorrhizal fungi grown in pure culture. Resonances from polyphosphates and intracellular orthophosphate are identified in Cenococcum graniforme. Hebeloma cylindrosporum, and H. crustuliniforme. Comparison of the NMR spectra with phosphorus fractionation of the fungi extracts leads to the statement that the NMR-observed polyphosphates is a good part of the accumulated polyphosphates. In actively growing mycelia, this fraction account for up to 17% of total P.

  4. A Nuclear Magnetic Resonance Study of Secondary and Tertiary Structure in Yeast tRNAPhe

    NARCIS (Netherlands)

    Robillard, G.T.; Tarr, C.E.; Vosman, F.; Reid, B.R.

    1977-01-01

    We present experimental evidence which confirms recently proposed ring current prediction methods for assigning hydrogen-bond proton nuclear magnetic resonance (NMR) spectra from tRNA. The evidence is a series of temperature-dependent studies on yeast tRNAPhe monitoring both the high- and low-field

  5. Solution Hardening in Aluminium-Magnesium Alloys : A Nuclear Magnetic Resonance and Transmission Electron Microscopic Study

    NARCIS (Netherlands)

    Schlagowski, U.; Kanert, O.; Hosson, J.Th.M. De; Boom, G.

    1988-01-01

    Pulsed nuclear magnetic resonance techniques as well as transmission electron microscopy have been applied to study dislocation motion in aluminium magnesium alloys (0.2-1.6 at.% Mg). The spin lattice relaxation rate in the rotating frame of 27Al has been been measured at 77 K as a function of

  6. 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

  7. 29Si-nuclear magnetic resonance on the etching products of silicon in potassium hydroxide solutions

    NARCIS (Netherlands)

    Nijdam, A.J.; van Veenendaal, E.; Gardeniers, Johannes G.E.; Kentgens, A.P.M.; Nachtegaal, G.H.; Elwenspoek, Michael Curt

    We present results of 29Si-nuclear magnetic resonance experiments on a large number of KOH solutions in which silicon has been dissolved. The goal of the experiments is to clarify the chemical composition of concentrated alkaline solutions after etching of silicon. It is confirmed that the initial

  8. Analysis of cocondensation of melamine and urea through formaldehyde with carbon 13 nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Bunichiro Tomita; Chung-Yun Hse

    1995-01-01

    The 13C-NMR (carbon 13 nuclear magnetic resonance) spectra of urea-formaldehyde (UF) resins, melamine-formaldehyde (MF) resins, and melamine-urea-formaldehyde (MUF) cocondensed resins synthesized under various conditions were taken with a frequency of 75 MHz. The main purpose was to investigate whether or not the occurrences of cocondensation...

  9. In situ nuclear magnetic resonance study of defect dynamics during deformation of materials

    NARCIS (Netherlands)

    Murty, K.L.; Detemple, K.; Kanert, O.; Peters, G; de Hosson, J.T.M.

    1996-01-01

    Nuclear magnetic resonance techniques can be used to monitor in situ the dynamical behaviour of point and line defects in materials during deformation. These techniques are non-destructive and non-invasive. We report here the atomic transport, in particular the enhanced diffusion during deformation

  10. Sc-45 nuclear magnetic resonance analysis of precipitation in dilute Al-Sc alloys

    NARCIS (Netherlands)

    Celotto, S; Bastow, TJ

    Nuclear magnetic resonance (NMR) with Sc-45 is used to determine the solid solubility of scandium in aluminium and to follow the precipitation of Al3Sc during the ageing of an Al-0.06 at.% Sc alloy via the two fully resolved peaks, corresponding to Sc in the solid solution Al matrix and to Sc in the

  11. Nuclear magnetic resonance spectroscopy of living systems : Applications in comparative physiology

    NARCIS (Netherlands)

    VanDenThillart, G; VanWaarde, A

    The most attractive feature of nuclear magnetic resonance spectroscopy (MRS) is the noninvasive and nondestructive measurement of chemical compounds in intact tissues. MRS already has many applications in comparative physiology, usually based on observation of P-31, since the levels of phosphorus

  12. 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...

  13. Novel radio-frequency and force-detected approaches in nuclear magnetic resonance

    NARCIS (Netherlands)

    Verhagen, Rieko

    2002-01-01

    Although Nuclear Magnetic Resonance (NMR) is a very powerful spectroscopic tool, a disadvantage of the technique is its relative insensitivity. With an increasing demand for the analysis of smaller structures in view of the rise of nanotechnology research, it is important to address the sensitivity

  14. DISLOCATION DYNAMICS IN VANADIUM - A NUCLEAR-MAGNETIC-RESONANCE AND TRANSMISSION ELECTRON-MICROSCOPIC STUDY

    NARCIS (Netherlands)

    CHRISTIAN, A; KANERT, O; DEHOSSON, JTM

    1990-01-01

    Pulsed nuclear magnetic resonance proved to be a complementary new technique for the study of moving dislocations in b.c.c. metals. From the motion induced part of the spin-lattice relaxation rate the mean jump distance of mobile dislocations has been measured in Vanadium as a function of

  15. 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...

  16. Time domain-nuclear magnetic resonance study of chars from southern hardwoods

    Science.gov (United States)

    Thomas Elder; Nicole Labbe; David Harper; Timothy Rials

    2006-01-01

    Chars from the thermal degradation of silver maple (Acer saccharinum), red maple (Acer rubrum), sugar maple (Acer saccharum), and white oak (Quercus spp.), performed at temperatures from 250 to 350 oC, were examined using time domain-nuclear magnetic resonance...

  17. Interaction between adrenaline and dibenzo-18-crown-6: Electrochemical, nuclear magnetic resonance, and theoretical study

    Science.gov (United States)

    Yu, Zhang-Yu; Liu, Tao; Wang, Xue-Liang

    2014-12-01

    The interaction between adrenaline (Ad) and dibenzo-18-crown-6 (DB18C6) was studied by cyclic voltammetry, nuclear magnetic resonance spectroscopy, and the theoretical calculations, respectively. The results show that DB18C6 will affect the electron transfer properties of Ad. DB18C6 can form stable supramolecular complexes with Ad through ion-dipole and hydrogen bond interactions.

  18. In vivo nuclear magnetic resonance studies of glycolytic kinetics in Lactococcus lactis

    NARCIS (Netherlands)

    Neves, A.R.; Ramos, A.; Nunes, M.C.; Kleerebezem, M.; Hugenholtz, J.; Vos, de W.M.; Almeida, J.; Santos, H.

    1999-01-01

    The metabolism of glucose by nongrowing cells of L. lactis strain MG5267 was studied under controlled conditions of pH, temperature, and gas atmosphere (anaerobic and aerobic) using a circulating system coupled to nuclear magnetic resonance (NMR) detection that allowed a noninvasive determination of

  19. MEMS-based force-detected nuclear magnetic resonance spectrometer for in situ planetary exploration

    Science.gov (United States)

    George, T.; Leskowitz, G.; Madsen, L.; Weitekamp, D.; Tang, W.

    2000-01-01

    Nuclear Magnetic resonance (NMR) is a well-known spectroscopic technique used by chemists and is especially powerful in detecting the presence of water and distinguishing between arbitrary physisorbed and chemisorbed states. This ability is of particular importance in the search for extra-terrestrial life on planets such as Mars.

  20. 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.

  1. Ultra-low field nuclear magnetic resonance and magnetic resonance imaging to discriminate and identify materials

    Science.gov (United States)

    Kraus, Robert H.; Matlashov, Andrei N.; Espy, Michelle A.; Volegov, Petr L.

    2010-03-30

    An ultra-low magnetic field NMR system can non-invasively examine containers. Database matching techniques can then identify hazardous materials within the containers. Ultra-low field NMR systems are ideal for this purpose because they do not require large powerful magnets and because they can examine materials enclosed in conductive shells such as lead shells. The NMR examination technique can be combined with ultra-low field NMR imaging, where an NMR image is obtained and analyzed to identify target volumes. Spatial sensitivity encoding can also be used to identify target volumes. After the target volumes are identified the NMR measurement technique can be used to identify their contents.

  2. Magnetic and superconducting properties of an S -type single-crystal CeCu2Si2 probed by 63Cu nuclear magnetic resonance and nuclear quadrupole resonance

    Science.gov (United States)

    Kitagawa, Shunsaku; Higuchi, Takumi; Manago, Masahiro; Yamanaka, Takayoshi; Ishida, Kenji; Jeevan, H. S.; Geibel, C.

    2017-10-01

    We have performed 63Cu nuclear-magnetic-resonance/nuclear-quadrupole-resonance measurements to investigate the magnetic and superconducting (SC) properties on a "superconductivity dominant" (S -type) single crystal of CeCu2Si2 . Although the development of antiferromagnetic (AFM) fluctuations down to 1 K indicated that the AFM criticality was close, Korringa behavior was observed below 0.8 K, and no magnetic anomaly was observed above Tc˜0.6 K. These behaviors were expected in S -type CeCu2Si2 . The temperature dependence of the nuclear spin-lattice relaxation rate 1 /T1 at zero field was almost identical to that in the previous polycrystalline samples down to 130 mK, but the temperature dependence deviated downward below 120 mK. In fact, 1 /T1 in the SC state could be fitted with the two-gap s±-wave model rather than the two-gap s++-wave model down to 90 mK. Under magnetic fields, the spin susceptibility in both directions clearly decreased below Tc, which is indicative of the formation of spin-singlet pairing. The residual part of the spin susceptibility was understood by the field-induced residual density of states evaluated from 1 /T1T , which was ascribed to the effect of the vortex cores. No magnetic anomaly was observed above the upper critical field Hc 2, but the development of AFM fluctuations was observed, indicating that superconductivity was realized in strong AFM fluctuations.

  3. Utility of magnetic resonance imaging and nuclear magnetic resonance-based metabolomics for quantification of inflammatory lung injury.

    Science.gov (United States)

    Serkova, Natalie J; Van Rheen, Zachary; Tobias, Meghan; Pitzer, Joshua E; Wilkinson, J Erby; Stringer, Kathleen A

    2008-07-01

    Magnetic resonance imaging (MRI) and metabolic nuclear magnetic resonance (NMR) spectroscopy are clinically available but have had little application in the quantification of experimental lung injury. There is a growing and unfulfilled need for predictive animal models that can improve our understanding of disease pathogenesis and therapeutic intervention. Integration of MRI and NMR could extend the application of experimental data into the clinical setting. This study investigated the ability of MRI and metabolic NMR to detect and quantify inflammation-mediated lung injury. Pulmonary inflammation was induced in male B6C3F1 mice by intratracheal administration of IL-1beta and TNF-alpha under isoflurane anesthesia. Mice underwent MRI at 2, 4, 6, and 24 h after dosing. At 6 and 24 h lungs were harvested for metabolic NMR analysis. Data acquired from IL-1beta+TNF-alpha-treated animals were compared with saline-treated control mice. The hyperintense-to-total lung volume (HTLV) ratio derived from MRI was higher in IL-1beta+TNF-alpha-treated mice compared with control at 2, 4, and 6 h but returned to control levels by 24 h. The ability of MRI to detect pulmonary inflammation was confirmed by the association between HTLV ratio and histological and pathological end points. Principal component analysis of NMR-detectable metabolites also showed a temporal pattern for which energy metabolism-based biomarkers were identified. These data demonstrate that both MRI and metabolic NMR have utility in the detection and quantification of inflammation-mediated lung injury. Integration of these clinically available techniques into experimental models of lung injury could improve the translation of basic science knowledge and information to the clinic.

  4. 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...

  5. On the Floquet–Magnus expansion: Applications in solid-state nuclear magnetic resonance and physics

    Energy Technology Data Exchange (ETDEWEB)

    Mananga, Eugene Stephane, E-mail: emananga@gradcenter.cuny.edu [Harvard Medical School and Massachusetts General Hospital, Center for Advanced Medical Imaging Sciences, Division of Nuclear Medicine and Molecular Imaging Physics, Department of Radiology, 55 Fruit Street, Boston, Massachusetts 02114 (United States); Charpentier, Thibault, E-mail: thibault.charpentier@cea.fr [Commissariat à l’Energie Atomique, IRAMIS, Service interdisciplinaire sur les systèmes moléculaires et matériaux, CEA/CNRS UMR 3299, 91191, Gif-sur-Yvette (France)

    2016-01-22

    Theoretical approaches are useful and powerful tools for more accurate and efficient spin dynamics simulation to understand experiments and devising new RF pulse sequence in nuclear magnetic resonance. Solid-state NMR is definitely a timely topic or area of research, and not many papers on the respective theories are available in the literature of nuclear magnetic resonance or physics reports. This report presents the power and the salient features of the promising theoretical approach called Floquet–Magnus expansion that is helpful to describe the time evolution of the spin system at all times in nuclear magnetic resonance. The report presents a broad view of algorithms of spin dynamics, based on promising and useful theory of Floquet–Magnus expansion. This theory provides procedures to control and describe the spin dynamics in solid-state NMR. Major applications of the Floquet–Magnus expansion are illustrated by simple solid-state NMR and physical applications such as in nuclear, atomic, molecular physics, and quantum mechanics, NMR, quantum field theory and high energy physics, electromagnetism, optics, general relativity, search of periodic orbits, and geometric control of mechanical systems. The aim of this report is to bring to the attention of the spin dynamics community, the bridge that exists between solid-state NMR and other related fields of physics and applied mathematics. This review article also discusses future potential theoretical directions in solid-state NMR.

  6. On the Fer expansion: Applications in solid-state nuclear magnetic resonance and physics

    Energy Technology Data Exchange (ETDEWEB)

    Mananga, Eugene Stephane, E-mail: esm041@mail.harvard.edu

    2016-01-18

    Theoretical approaches are useful and powerful tools for more accurate and efficient spin dynamics simulation to understand experiments and devising new RF pulse sequence in nuclear magnetic resonance. Solid-state NMR is definitely a timely topic or area of research, and not many papers on the respective theories are available in the literature of nuclear magnetic resonance or physics reports. This report presents the power and the salient features of the promising theoretical approach called Fer expansion that is helpful to describe the evolution of the spin system in nuclear magnetic resonance. The report presents a broad view of algorithms of spin dynamics based on the Fer expansion which provides procedures to control and describe the spin dynamics in solid-state NMR. Significant applications of the Fer expansion are illustrated in NMR and in physics such as classical physics, nonlinear dynamics systems, celestial mechanics and dynamical astronomy, hydrodynamics, nuclear, atomic, molecular physics, and quantum mechanics, quantum field theory, high energy physics, electromagnetism. The aim of this report is to bring to the attention of the spin dynamics community, the bridge that exists between solid-state NMR and other related fields of physics and applied mathematics.

  7. Nuclear magnetic resonance study of pure and Ni/Co doped LiFeAs

    Energy Technology Data Exchange (ETDEWEB)

    Grafe, Hans-Joachim; Baek, Seung-Ho; Hammerath, Franziska; Graefe, Uwe; Utz, Yannic; Harnagea, L.; Nacke, Claudia; Aswartham, Saicharan; Wurmehl, Sabine; Buechner, Bernd [Leibniz-Institut fuer Festkoerper- und Werkstoffforschung, Dresden (Germany)

    2011-07-01

    We present Nuclear Magnetic and Nuclear Quadrupole Resonance (NMR/NQR) measurements on pure, Ni and Co doped LiFeAs single crystals. The parent compound LiFeAs exhibits unconventional superconductivity with a transition temperature of about 17 K. Unlike other Fe based superconductors, where superconductivity is induced or stabilized by Co or Ni doping, replacement of Fe by these elements leads to a suppression of the superconducting transition temperature in LiFeAs. In case of Ni doping, a bulk magnetic order is induced below about 160 K. In contrast, for Co doping, the superconducting transition temperature is only reduced, but no magnetic order is observed. We discuss the nature and the origin of this magnetic order and its relation to unconventional superconductivity in pure LiFeAs.

  8. Zero-field nuclear magnetic resonance spectroscopy of viscous liquids.

    Science.gov (United States)

    Shimizu, Y; Blanchard, J W; Pustelny, S; Saielli, G; Bagno, A; Ledbetter, M P; Budker, D; Pines, A

    2015-01-01

    We report zero-field NMR measurements of a viscous organic liquid, ethylene glycol. Zero-field spectra were taken showing resolved scalar spin-spin coupling (J-coupling) for ethylene glycol at different temperatures and water contents. Molecular dynamics strongly affects the resonance linewidth, which closely follows viscosity. Quantum chemical calculations have been used to obtain the relative stability and coupling constants of all ethylene glycol conformers. The results show the potential of zero-field NMR as a probe of molecular structure and dynamics in a wide range of environments, including viscous fluids. Copyright © 2014 Elsevier Inc. All rights reserved.

  9. High temperature furnace for nuclear magnetic resonance experiments

    Energy Technology Data Exchange (ETDEWEB)

    Jaeger, C.; Scheler, G. (Friedrich-Schiller-Universitaet, Jena (German Democratic Republic). Sektion Physik)

    1984-01-01

    A furnace is described for NMR experiments in the temperature range 300 to 1,100 K. It can be used both in a superconducting solenoid (Oxford Instruments, B/sub 0/ = 6.4 T, bore 52 mm) and in iron magnets with a gap d >= 48 mm. All for NMR experiments important nuclei can be measured without /sup 29/Si. The NMR probe can be used both for instationary and stationary experiments.

  10. Magnetically Oriented Bicelles with Monoalkylphosphocholines: Versatile Membrane Mimetics for Nuclear Magnetic Resonance Applications.

    Science.gov (United States)

    Beaugrand, Maïwenn; Arnold, Alexandre A; Juneau, Antoine; Gambaro, Aline Balieiro; Warschawski, Dror E; Williamson, Philip T F; Marcotte, Isabelle

    2016-12-13

    Bicelles (bilayered micelles) are model membranes used in the study of peptide structure and membrane interactions. They are traditionally made of long- and short-chain phospholipids, usually dimyristoylphosphatidylcholine (D14PC) and dihexanoyl-PC (D6PC). They are attractive membrane mimetics because their composition and planar surface are similar to the native membrane environment. In this work, to improve the solubilization of membrane proteins and allow their study in bicellar systems, D6PC was replaced by detergents from the monoalkylphosphocholine (MAPCHO) family, of which dodecylphosphocholine (12PC) is known for its ability to solubilize membrane proteins. More specifically 12PC, tetradecyl- (14PC), and hexadecyl-PC (16PC) have been employed. To verify the possibility of making bicelles with different hydrophobic thicknesses to better accommodate membrane proteins, D14PC was also replaced by phospholipids with different alkyl chain lengths: dilauroyl-PC (D12PC), dipalmitoyl-PC (D16PC), distearoyl-PC (D18PC), and diarachidoyl-PC (D20PC). Results obtained by 31P solid-state nuclear magnetic resonance (NMR) and isothermal titration calorimetry (ITC) at several lipid-to-detergent molar ratios (q) and temperatures indicate that these new MAPCHO bicelles can be formed under a variety of conditions. The quality of their alignment is similar to that of classical bicelles, and the low critical micelle concentration (CMC) of the surfactants and their miscibility with phospholipids are likely to be advantageous for the reconstitution of membrane proteins.

  11. [Quantitative determination of bosentan by proton nuclear magnetic resonance with internal standard method].

    Science.gov (United States)

    Zhang, Cai-Yu; Zhang, Na; He, Lan

    2014-02-01

    The study aims to establish a quantitative nuclear magnetic resonance (QNMR) method for the determination of the absolute content of bosentan. Proton nuclear magnetic resonance spectroscopy [1H NMR] spectra were obtained in CDCl3 with the internal standard dimethyl terephthalate and zg30 pulse sequence by using a Bruker AVANCE II 400 spectrometer. The content of bosentan is determined with QNMR in comparison with the result obtained by mass balance method. The result is 96.25% by QNMR and 96.54% by mass balance method. A rapid and accurate QNMR method has been established for the quantitative determination of the absolute content of bosentan. The study provides a new way for the quality control and calibration of a new reference standard material, it could be the complementary with the mass balance method for the assay of standard reference.

  12. Structural analysis of strained quantum dots using nuclear magnetic resonance.

    Science.gov (United States)

    Chekhovich, E A; Kavokin, K V; Puebla, J; Krysa, A B; Hopkinson, M; Andreev, A D; Sanchez, A M; Beanland, R; Skolnick, M S; Tartakovskii, A I

    2012-10-01

    Strained semiconductor nanostructures can be used to make single-photon sources, detectors and photovoltaic devices, and could potentially be used to create quantum logic devices. The development of such applications requires techniques capable of nanoscale structural analysis, but the microscopy methods typically used to analyse these materials are destructive. NMR techniques can provide non-invasive structural analysis, but have been restricted to strain-free semiconductor nanostructures because of the significant strain-induced quadrupole broadening of the NMR spectra. Here, we show that optically detected NMR spectroscopy can be used to analyse individual strained quantum dots. Our approach uses continuous-wave broadband radiofrequency excitation with a specially designed spectral pattern and can probe individual strained nanostructures containing only 1 × 10(5) quadrupole nuclear spins. With this technique, we are able to measure the strain distribution and chemical composition of quantum dots in the volume occupied by the single confined electron. The approach could also be used to address problems in quantum information processing such as the precise control of nuclear spins in the presence of strong quadrupole effects.

  13. Carbon and deuterium nuclear magnetic resonance in solids

    Energy Technology Data Exchange (ETDEWEB)

    Shattuck, Thomas Wayne [Univ. of California, Berkeley, CA (United States)

    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 τc, which is experimentally 110 ± 15 μsec and theoretically 122 μsec 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 → -1 transition is excited by a double quantum process and the decay of coherence Q(τ) 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 Δω. The relationship Q(τ) ~ cos 2Δωτ is checked and the technique is applied to a single crystal of oxalic acid dihydrate enriched to ~ 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 Δσ = 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 → -1 double quantum transition and the m = ± 1 → 0 single quantum transitions may all be polarized and we present the derivation of the Hartmann-Hahn cross polarization conditions for each case. In addition the dynamics of the double quantum process

  14. 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

  15. Incorporating internal gradient and restricted diffusion effects in Nuclear Magnetic Resonance log interpretation

    OpenAIRE

    Li, Lilong; Chen, Songhua

    2015-01-01

    It is shown that internal gradient combined with the restricted diffusion effect can significantly influence the D-T2 cross plots, which are widely used for fluid typing in Nuclear Magnetic Resonance (NMR) well-logging applications. By using models that capture the most important features of the internal gradient in the sedimentary rocks, such effects can be accounted for in the D-T2 inversion process, making fluid typing more accurate.

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

    OpenAIRE

    Yaramanci, U.

    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...

  17. Taxonomic and chemical relationships revealed by nuclear magnetic resonance spectra of plant exudates.

    Science.gov (United States)

    Lambert, Joseph B; Wu, Yuyang; Santiago-Blay, Jorge A

    2005-05-01

    Exudates collected from 65 species of gymnosperms and angiosperms were examined by solid-state carbon-13 (13C) nuclear magnetic resonance (NMR) spectroscopy. Diagnostic criteria were developed to distinguish resins, gums, and gum resins. The typology generated from the exudate spectra generally follows current taxonomic classifications, suggesting that 13C NMR spectroscopy may have applications in exudate identification, at least at the familial level, and in some cases at the generic or specific levels.

  18. Solid state nuclear magnetic resonance studies of prion peptides and proteins

    Energy Technology Data Exchange (ETDEWEB)

    Heller, Jonathan [Univ. of California, Berkeley, CA (United States)

    1997-08-01

    High-resolution structural studies using x-ray diffraction and solution nuclear magnetic resonance (NMR) are not feasible for proteins of low volubility and high tendency to aggregate. Solid state NMR (SSNMR) is in principle capable of providing structural information in such systems, however to do this efficiently and accurately, further SSNMR tools must be developed This dissertation describes the development of three new methods and their application to a biological system of interest, the priori protein (PrP).

  19. High Resolution Nuclear Magnetic Resonance Study of the Histidine-Aspartate Hydrogen Bond in Chymotrypsin and Chymotrypsinogen

    NARCIS (Netherlands)

    Robillard, George; Shulman, R.G.

    1972-01-01

    A high resolution proton nuclear magnetic resonance study of chymotrypsin Aδ and chymotrypsinogen A in water has shown a single resonance at very low magnetic fields (-18 to -15 p.p.m. relative to dimethyl-silapentane-sulfonate). From its pH dependence (pK = 7.2) and response to chemical

  20. Nuclear magnetic resonance in low-symmetry superconductors

    Science.gov (United States)

    Cavanagh, D. C.; Powell, B. J.

    2018-01-01

    We consider the nuclear spin-lattice relaxation rate 1 /T1 in superconductors with accidental nodes, i.e., zeros of the order parameter that are not enforced by its symmetries. Such nodes in the superconducting gap are not constrained by symmetry to a particular position on the Fermi surface. We show, analytically and numerically, that a Hebel-Slichter-like peak occurs even in the absence of an isotropic component of the superconducting gap. For a gap with symmetry-required nodes the Fermi velocity at the node must point along the node. For accidental nodes this is not, in general, the case. This leads to additional terms in spectral function and hence the density of states. These terms lead to a logarithmic divergence in 1 /T1T at T →Tc- in models neglecting disorder and interactions [except for those leading to superconductivity; here T is temperature, Tc-=limδ→0(Tc-δ ) , and Tc is the critical temperature]. This contrasts with the usual Hebel-Slichter peak which arises from the coherence factors due to the isotropic component of the gap and leads to a divergence in 1 /T1T somewhat below Tc. The divergence in superconductors with accidental nodes is controlled by either disorder or additional electron-electron interactions. However, for reasonable parameters, neither of these effects removes the peak altogether. This provides a simple experimental method to distinguish between symmetry-required and accidental nodes.

  1. Structural characterization by Nuclear Magnetic Resonance of ozonized triolein

    Directory of Open Access Journals (Sweden)

    F. Díaz, Maritza

    2008-09-01

    Full Text Available In the present study ozonized triolein with 739 mmolequiv/ kg peroxide index is characterized by NMR.The triolein and ozonized triolein show very similar 1H NMR spectra except for the resonances at δ 9.74 ppm, which correspond to aldehydic protons and δ 5.14 ppm (ozonides methylic protons. Other new signal assignments are based on the connectivities provided by the proton scalar coupling constants δ 2.41 ppm (methylenic group allylic to aldehydic protons and ozonides methynic protons and δ 1.67 ppm (methylenic protons in position with respect to ozonides methylic protons. From the 13C and 1H-13C spectrum of the ozonized triolein, the presence of ozonides was confirmed by the signals δ 104.2 and 104.3 ppm, respectively. Other new signals in δ 43.9 ppm confirm the presence of methylenic carbon ozonides. From the structural elucidation of ozonated triglycerides, relevant chemical information about ozonated vegetable oil can be found .En el presente estudio ha sido caracterizada por RMN la trioleina ozonizada con índice de peróxidos de 739 mmolequiv/ kg. La trioleina y la trioleina ozonizada muestran espectros muy similares exceptuando los valores de las resonancias δ 9,74 ppm de los protones aldehídicos, y δ 5,14 ppm (protones metínicos de los ozónidos. Otras nuevas asignaciones fueron basadas en las conectividades obtenidas por las constantes de acoplamiento escalar como δ 2,41 ppm (grupo metilénico alilico a los protones aldehídicos y protones metínicos de los ozónidos y δ 1,67 ppm (protones metilénicos en posición βcon respecto a los protones metínicos de los ozónidos. En los espectros 13C y 1H-13C de la trioleina ozonizada la presencia de ozónidos fue atribuida, respectivamente, por las señales δ 104,2 y δ 104,3 ppm. Una nueva señal en δ 43,9 ppm confirma la presencia de carbono metilénico de ozónidos. Estos resultados indican que la elucidación estructural de triglicéridos ozonizados, ofrece información qu

  2. 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.

  3. 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.

  4. 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.

  5. Determination of the defining boundary in nuclear magnetic resonance diffusion experiments.

    Science.gov (United States)

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

    2011-07-22

    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 information and enable imaging of the average pore in a porous medium with a largely increased signal-to-noise ratio.

  6. A two-axis goniometer for low-temperature nuclear magnetic resonance measurements on single crystals.

    Science.gov (United States)

    Shiroka, T; Casola, F; Mesot, J; Bachmann, W; Ott, H-R

    2012-09-01

    We report on the construction of a two-axis goniometer intended for low-temperature, single-crystal nuclear magnetic resonance (NMR) measurements. With the use of home-made and commercially available parts, our simple probe-head design achieves good sensitivity, while maintaining a high angular precision and the ability to orient samples also when cooled to liquid helium temperatures. The probe with the goniometer is adapted to be inserted into a commercial (4)He-flow cryostat, which fits into a wide-bore superconducting solenoid magnet. Selected examples of NMR measurements illustrate the operation of the device.

  7. Fluorine Chemical Shift Imaging by Nuclear Magnetic Resonance

    Science.gov (United States)

    Lee, Heung Kyu

    1990-01-01

    One of the difficulties encountered in ^{19}F NMR imaging of fluorinated blood substitutes is that these compounds often exhibit complex multi-peak spectra. These peaks result in chemical shift artifacts along the readout direction (mis-registration). In addition, each peak excites a different slice (mis-selection) when a slice selection gradient is applied. Another difficulty is due to its low concentration in the human body. Even after injecting a fluorinated compound into a living system up to the safest level, the concentration still does not appear to be enough to give a sufficient SNR. To solve the inherent problem of mis-selection, a simultaneous multislice method has been developed. The essence of this method is to use the two strongest peaks of the spectrum to excite different multiple slices simultaneously in a controlled fashion, with or without a slice gap. The images corresponding to the two spectral lines are then separated from in and out of phase images (Dixon method). A signed magnitude method is proposed in conjunction with the simultaneous multislice method. Corrected images are obtained from the magnitude of the measured images using the sign determined from the phase images. The method was tested in the presence of phase error, such as static magnetic field inhomogeneity. As alternatives, two deconvolution methods have been devised to eliminate the mis-registration artifacts and utilize the multiple spectral lines. The reblurring deconvolution method, an iterative deconvolution method, is utilized without serious noise amplifications. A pseudo parametric Wiener filter, a variation of the Wiener filter combined with a constrained least square filter, is also devised. Since the point spread function and 2D or 3D object data are already available in the time domain as the FID data, the computational overhead for either method is negligible. To enhance the signal to noise ratio and solve the problems of mis-registration and mis

  8. Solution conformation of an oligonucleotide containing a G.G mismatch determined by nuclear magnetic resonance and molecular mechanics.

    OpenAIRE

    Cognet, J A; Gabarro-Arpa, J; Le Bret, M; van der Marel, G A; van Boom, J H; Fazakerley, G V

    1991-01-01

    We have determined by two-dimensional nuclear magnetic resonance studies and molecular mechanics calculations the three dimensional solution structure of the non-selfcomplementary oligonucleotide, d(GAGGAGGCACG). d(CGTGCGTCCTC) in which the central base pair is G.G. This is the first structural determination of a G.G mismatch in a oligonucleotide. Two dimensional nuclear magnetic resonance spectra show that the bases of the mismatched pair are stacked into the helix and that the helix adopts ...

  9. 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.

  10. Seismic resonances of acoustic cavities

    Science.gov (United States)

    Schneider, F. M.; Esterhazy, S.; Perugia, I.; Bokelmann, G.

    2016-12-01

    The goal of an On-Site Inspection (OSI) is to clarify at a possible testsite whether a member state of the Comprehensive nuclear Test Ban Treaty (CTBT)has violated its rules by conducting a underground nuclear test. Compared toatmospheric and underwater tests underground nuclear explosions are the mostdifficult to detect.One primary structural target for the field team during an OSI is the detectionof an underground cavity, created by underground nuclear explosions. Theapplication of seismic-resonances of the cavity for its detection has beenproposed in the CTBT by mentioning "resonance seismometry" as possibletechnique during OSIs. We modeled the interaction of a seismic wave-field withan underground cavity by a sphere filled with an acoustic medium surrounded byan elastic full space. For this setting the solution of the seismic wave-fieldcan be computed analytically. Using this approach the appearance of acousticresonances can be predicted in the theoretical calculations. Resonance peaksappear in the spectrum derived for the elastic domain surrounding the acousticcavity, which scale in width with the density of the acoustic medium. For lowdensities in the acoustic medium as for an gas-filled cavity, the spectralpeaks become very narrow and therefore hard to resolve. The resonancefrequencies, however can be correlated to the discrete set of eigenmodes of theacoustic cavity and can thus be predicted if the dimension of the cavity isknown. Origin of the resonance peaks are internal reverberations of wavescoupling in the acoustic domain and causing an echoing signal that couples outto the elastic domain again. In the gas-filled case the amplitudes in timedomain are very low.Beside theoretical considerations we seek to find real data examples fromsimilar settings. As example we analyze a 3D active seismic data set fromFelsőpetény, Hungary that has been conducted between 2012 and 2014 on behalf ofthe CTBTO. In the subsurface of this area a former clay mine is

  11. Low-field nuclear magnetic resonance for the in vivo study of water content in trees

    Energy Technology Data Exchange (ETDEWEB)

    Yoder, Jacob, E-mail: jlyoder@lanl.gov [Inorganic, Isotope and Actinide Chemistry, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Malone, Michael W.; Espy, Michelle A. [Applied Modern Physics, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Sevanto, Sanna [Earth Systems Observations, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2014-09-15

    Nuclear magnetic resonance (NMR) and magnetic resonance imaging have long been used to study water content in plants. Approaches have been primarily based on systems using large magnetic fields (∼1 T) to obtain NMR signals with good signal-to-noise. This is because the NMR signal scales approximately with the magnetic field strength squared. However, there are also limits to this approach in terms of realistic physiological configuration or those imposed by the size and cost of the magnet. Here we have taken a different approach – keeping the magnetic field low to produce a very light and inexpensive system, suitable for bulk water measurements on trees less than 5 cm in diameter, which could easily be duplicated to measure on many trees or from multiple parts of the same tree. Using this system we have shown sensitivity to water content in trees and their cuttings and observed a diurnal signal variation in tree water content in a greenhouse. We also demonstrate that, with calibration and modeling of the thermal polarization, the system is reliable under significant temperature variation.

  12. Mathematical Development and Computational Analysis of Harmonic Phase-Magnetic Resonance Imaging (HARP-MRI) Based on Bloch Nuclear Magnetic Resonance (NMR) Diffusion Model for Myocardial Motion.

    Science.gov (United States)

    Dada, Michael O; Jayeoba, Babatunde; Awojoyogbe, Bamidele O; Uno, Uno E; Awe, Oluseyi E

    2017-09-13

    Harmonic Phase-Magnetic Resonance Imaging (HARP-MRI) is a tagged image analysis method that can measure myocardial motion and strain in near real-time and is considered a potential candidate to make magnetic resonance tagging clinically viable. However, analytical expressions of radially tagged transverse magnetization in polar coordinates (which is required to appropriately describe the shape of the heart) have not been explored because the physics required to directly connect myocardial deformation of tagged Nuclear Magnetic Resonance (NMR) transverse magnetization in polar geometry and the appropriate harmonic phase parameters are not yet available. The analytical solution of Bloch NMR diffusion equation in spherical geometry with appropriate spherical wave tagging function is important for proper analysis and monitoring of heart systolic and diastolic deformation with relevant boundary conditions. In this study, we applied Harmonic Phase MRI method to compute the difference between tagged and untagged NMR transverse magnetization based on the Bloch NMR diffusion equation and obtained radial wave tagging function for analysis of myocardial motion. The analytical solution of the Bloch NMR equations and the computational simulation of myocardial motion as developed in this study are intended to significantly improve healthcare for accurate diagnosis, prognosis and treatment of cardiovascular related deceases at the lowest cost because MRI scan is still one of the most expensive anywhere. The analysis is fundamental and significant because all Magnetic Resonance Imaging techniques are based on the Bloch NMR flow equations.

  13. 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.)

  14. High-throughput automated platform for nuclear magnetic resonance-based structural proteomics.

    Science.gov (United States)

    Vinarov, Dmitriy A; Markley, John L

    2005-01-01

    The development of new systems and strategies capable of synthesizing any desired soluble, labeled protein or protein fragment on a preparative scale is one of the most important tasks in biotechnology today. The Center for Eukaryotic Structural Genomics (WI, USA), in co-operation with Ehime University (Matsuyama, Japan) and CellFree Sciences Co., Ltd, has developed an automated platform for nuclear magnetic resonance-based structural proteomics that employs wheat germ extracts for cell-free production of labeled protein. The platform utilizes a single construct for all targets without any redesign of the DNA or RNA. Therefore, it offers advantages over commercial cell-free methods utilizing Escherichia coli extracts that require multiple constructs or redesign of the open reading frame. The protein production and labeling protocol is no more costly than E. coli cell-based approaches, is robust and scalable for high-throughput applications. This protocol has been used in the authors center to screen eukaryotic open reading frames from the Arabidopsis thaliana and human genomes and for the determination of nuclear magnetic resonance structures. With the recent addition of the GeneDecoder 1000 (CellFree Sciences Co., Ltd) robotic system, the Center for Eukaryotic Structural Genomics is able to carry out as many as 384 small-scale (50 microl) screening reactions per week. Furthermore, the Protemist (CellFree Sciences Co., Ltd) robotic system enables the Center for Eukaryotic Structural Genomics to carry out 16 production-scale (4 ml) reactions per week. Utilization of this automated platform technology to screen targets for expression and solubility and to produce stable isotope-labeled samples for nuclear magnetic resonance structure determinations is discussed.

  15. Quantification of Squalene in Olive Oil Using 13C Nuclear Magnetic Resonance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Anne-Marie Nam

    2017-11-01

    Full Text Available In the course of our ongoing work on the chemical characterization of Corsican olive oil, we have developed and validated a method for direct quantification of squalene using 13C Nuclear Magnetic Resonance (NMR spectroscopy without saponification, extraction, or fractionation of the investigated samples. Good accuracy, linearity, and precision of the measurements have been observed. The experimental procedure was applied to the quantification of squalene in 24 olive oil samples from Corsica. Squalene accounted for 0.35–0.83% of the whole composition.

  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. In situ nuclear magnetic resonance microimaging of live biofilms in a microchannel

    Energy Technology Data Exchange (ETDEWEB)

    Renslow, Ryan S.; Marshall, Matthew J.; Tucker, Abigail E.; Chrisler, William B.; Yu, Xiao-Ying

    2017-01-01

    Nuclear magnetic resonance (NMR) microimaging and spectroscopy was used to interrogate fluids of biological importance (e.g., water, buffer, medium solution) and live biofilms in a microchannel compatible for analyses at ambient pressure and under vacuum. Studies using buffer, growth medium, and actively growing Shewanella oneidensis biofilms were used to demonstrate in situ NMR microimaging measurement capabilities including velocity mapping, diffusion coefficient mapping, relaxometry, localized spectroscopy, and 2D and 3D imaging within a microchannel suitable for different analytical platforms. This technique is promising for diverse applications of correlative imaging using a portable microfluidic platform.

  18. A compact Class D RF power amplifier for mobile nuclear magnetic resonance systems.

    Science.gov (United States)

    Zhen, J; Dykstra, R; Eccles, C; Gouws, G; Obruchkov, S

    2017-07-01

    A 20 MHz Class D amplifier with an output of 100 W of RF power has been developed. The compact size printed circuit board area of 50 cm2 and efficiency of 73% make it suitable for mobile nuclear magnetic resonance (NMR) systems. Test results show that the rise and ring down times of the amplifier are less than 0.2 μs, and it is capable of producing constant amplitude pulses as short as 2 μs. Experiments using a Carr Purcell Meiboom Gill pulse sequence with a NMR MOUSE sensor confirm that the Class D amplifier is suitable for mobile NMR applications.

  19. A compact Class D RF power amplifier for mobile nuclear magnetic resonance systems

    Science.gov (United States)

    Zhen, J.; Dykstra, R.; Eccles, C.; Gouws, G.; Obruchkov, S.

    2017-07-01

    A 20 MHz Class D amplifier with an output of 100 W of RF power has been developed. The compact size printed circuit board area of 50 cm2 and efficiency of 73% make it suitable for mobile nuclear magnetic resonance (NMR) systems. Test results show that the rise and ring down times of the amplifier are less than 0.2 μs, and it is capable of producing constant amplitude pulses as short as 2 μs. Experiments using a Carr Purcell Meiboom Gill pulse sequence with a NMR MOUSE sensor confirm that the Class D amplifier is suitable for mobile NMR applications.

  20. 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.

  1. The identification of experimentally induced appendicitis using in vitro nuclear magnetic resonance.

    Science.gov (United States)

    Jacobs, D O; Clarke, J R; Settle, R G; Sachdeva, A K; Wheeler, J E; Trerotola, S O; Wolf, G L; Rombeau, J L

    1985-07-01

    Appendicitis was induced in six New Zealand white rabbits. The appendices from these animals had significantly higher spin-lattice relaxation times, T1, as determined in vitro by nuclear magnetic resonance (NMR) (10 controls vs 6 experimentals, 413 +/- 23 vs 455 +/- 41, X +/- SD, P less than (0.02). T1 correlated significantly with the water content of the appendiceal tissue (P less than 0.001). These findings suggest that in vivo NMR imaging techniques weighted on T1 might be able to identify human appendicitis noninvasively by detecting localized edema.

  2. 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.

  3. 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

  4. One-thousand-fold enhancement of high field liquid nuclear magnetic resonance signals at room temperature

    Science.gov (United States)

    Liu, Guoquan; Levien, Marcel; Karschin, Niels; Parigi, Giacomo; Luchinat, Claudio; Bennati, Marina

    2017-07-01

    Nuclear magnetic resonance (NMR) is a fundamental spectroscopic technique for the study of biological systems and materials, molecular imaging and the analysis of small molecules. It detects interactions at very low energies and is thus non-invasive and applicable to a variety of targets, including animals and humans. However, one of its most severe limitations is its low sensitivity, which stems from the small interaction energies involved. Here, we report that dynamic nuclear polarization in liquid solution and at room temperature can enhance the NMR signal of 13C nuclei by up to three orders of magnitude at magnetic fields of ∼3 T. The experiment can be repeated within seconds for signal averaging, without interfering with the sample magnetic homogeneity. The method is therefore compatible with the conditions required for high-resolution NMR. Enhancement of 13C signals on various organic compounds opens up new perspectives for dynamic nuclear polarization as a general tool to increase the sensitivity of liquid NMR.

  5. In vivo nuclear magnetic resonance studies of hepatic methoxyflurane metabolism. I. Verification and quantitation of methoxydifluoroacetate.

    Science.gov (United States)

    Selinsky, B S; Perlman, M E; London, R E

    1988-05-01

    The elimination and metabolism of the fluorinated inhalation anesthetic methoxyflurane (2,2-dichloro-1,1-difluoroethyl methyl ether) in rats has been monitored using in vivo 19F nuclear magnetic resonance at 8.45 T. The elimination of methoxyflurane from rat liver as measured using a surface coil is a first order process when measured beginning 2-3 hr after the end of methoxyflurane anesthesia over a period of 12 hr. The rate constant for hepatic methoxyflurane elimination is dependent upon the duration of anesthesia, varying from 0.24 hr-1 for 15 min of anesthesia to 0.07 hr-1 for 1 hr of anesthesia. Methoxyflurane was shown to be metabolized in the liver to methoxydifluoroacetate using the surface coil method. No resonance for hepatic fluoride ion could be observed in vivo. Pure sodium methoxydifluoroacetate was synthesized in order to confirm the identity of the resonances in liver and urine. 19F NMR spectra of urine collected from anesthetized rats contain resonances for two methoxyflurane metabolites, methoxydifluoroacetate and inorganic fluoride. Studies with liver homogenates imply that fluoride is quickly cleared from the liver and eliminated from the body through the urine, explaining the inability to observe hepatic fluoride using a surface coil. The 19F NMR resonance for inorganic fluoride in urine was found to be broadened by interaction with metal ions, since the broadening could be eliminated by treatment with chelating resin.

  6. Magnetic Resonance (MR) Defecography

    Science.gov (United States)

    ... Physician Resources Professions Site Index A-Z Magnetic Resonance (MR) Defecography Magnetic resonance (MR) defecography is a ... the limitations of MRI defecography? What is magnetic resonance (MR) defecography? Magnetic resonance imaging (MRI) is a ...

  7. 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.

  8. State of functionally essential Trp-29 in snake venom neurotoxins: a proton nuclear magnetic resonance study.

    Science.gov (United States)

    Endo, T; Oya, M; Joubert, F J; Hayashi, K; Miyazawa, T

    1989-08-01

    Proton nuclear magnetic resonance (NMR) spectra have been recorded of various neurotoxins from snake venoms. pH dependence of the chemical shifts and resonance intensity has been followed for the functionally essential Trp-29. The indole N-1 proton of Trp-29 in alpha-bungarotoxin, toxin B, and cobrotoxin exhibits appreciably large upfield shifts as the pH is lowered and the suppressed exchange with the solvent hydrogen at pH 3-4, but not in Naja haje annulifera 10 where Asp-31 is replaced with Gly-31. This observation strongly suggests the presence of a hydrogen bond between Trp-29 and Asp-31 that is probably important in stabilizing the arrangement of the functionally essential residues to form a distinct binding region for the receptor.

  9. Electron spin resonance and nuclear magnetic resonance of sodium macrostructures in strongly irradiated NaCl-K crystals: Manifestation of quasi-one-dimensional behavior of electrons

    NARCIS (Netherlands)

    Cherkasov, FG; Mustafin, RG; L'vov, SG; Denisenko, GA; den Hartog, HW; Vainshtein, D. I.

    1998-01-01

    Data from an investigation of electron spin resonance and nuclear magnetic resonance of NaCl-K (similar to 1 mole%) crystals strongly irradiated with electrons imply the observation of a metal-insulator transition with decreasing temperature and the manifestation of quasi-one-dimensional electron

  10. How to analyze a nuclear magnetic resonance image. Application to the pelvis

    Energy Technology Data Exchange (ETDEWEB)

    Parienty, R.; Lavayssiere, R.

    1983-01-01

    Nuclear magnetic resonance (NMR) is based on the behaviour of some atomic nuclei when they are placed in a magnetic field and subjected to radiofrequency waves of a specific length. The resonance signals they emit under such conditions are collected as localized digital data which are used to construct an image. The signals vary according to multiple tissue characteristics, notably proton density, relaxation times T1 and T2 and, where applicable, blood flow direction and velocity. The relative influences exerted by these tissue factors on resonance signals can be evaluated by altering the technical parameters of the examination, that is practically the radiofrequency wave sequence. Special formulae make it possible to predict signal variations and to increase, decrease or even reverse contrast, thus obtaining as many morphological or functional images of the different media in the body. NMR semiology therefore is copious, complex and variable, but a diagrammatic description of the interplay between parameters provides a key to elementary analysis. Images of pelvic structures taken as examples illustrate the necessity to select the exploratory procedure according to the purpose of the exploration or to manipulate sequences with greater safety.

  11. Nuclear magnetic resonance with dc SQUID (Super-conducting QUantum Interference Device) preamplifiers

    Science.gov (United States)

    Fan, N. Q.; Heaney, Michael B.; Clark, John; Newitt, D.; Wald, Lawrence L.; Hahn, Erwin L.; Bierlecki, A.; Pines, A.

    1988-08-01

    Sensitive radio-frequency (RF) amplifiers based on dc Superconducting QUantum Interface Devices (SQUIDS) are available for frequencies up to 200 MHz. At 4.2 K, the gain and noise temperature of a typical tuned amplifier are 18.6 + or - 0.5 dB and 1.7 + or - 0.5 K at 93 MHz. These amplifiers are being applied to a series of novel experiments on nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR). The high sensitivity of these amplifiers was demonstrated in the observation of nuclear spin noise, the emission of photons by Cl-35 nuclei in a state of zero polarization. In the more conventional experiments in which one applies a large RF pulse to the spins, a Q-spoiler, consisting of a series array of Josephson junctions, is used to reduce the Q of the input circuit to a very low value during the pulse. The Q-spoiler enables the circuit to recover quickly after the pulse, and has been used in an NQR experiment to achieve a sensitivity of about 2 x 10(16) nuclear Bohr magnetons in a single free precession signal with a bandwidth of 10 kHz. In a third experiment, a sample containing Cl-35 nuclei was placed in a capacitor and the signal detected electrically using a tuned SQUID amplifier and Q-spoiler. In this way, the electrical polarization induced by the precessing Cl nuclear quadrupole moments was detected: this is the inverse of the Stark effect in NQR. Two experiments involving NMR have been carried out. In the first, the 30 MHz resonance in Sn-119 nuclei is detected with a tuned amplifier and Q-spoiler, and a single pulse resolution of 10(18) nuclear Bohr magnetons in a bandwidth of 25 kHz has been achieved. For the second, a low frequency NMR system has been developed that uses an untuned input circuit coupled to the SQUID. The resonance in Pt-195 nuclei has been observed at 55 kHz in a field of 60 gauss.

  12. Nuclear magnetic resonance diffusion pore imaging: Experimental phase detection by double diffusion encoding.

    Science.gov (United States)

    Demberg, Kerstin; Laun, Frederik Bernd; Windschuh, Johannes; Umathum, Reiner; Bachert, Peter; Kuder, Tristan Anselm

    2017-02-01

    Diffusion pore imaging is an extension of diffusion-weighted nuclear magnetic resonance imaging enabling the direct measurement of the shape of arbitrarily formed, closed pores by probing diffusion restrictions using the motion of spin-bearing particles. Examples of such pores comprise cells in biological tissue or oil containing cavities in porous rocks. All pores contained in the measurement volume contribute to one reconstructed image, which reduces the problem of vanishing signal at increasing resolution present in conventional magnetic resonance imaging. It has been previously experimentally demonstrated that pore imaging using a combination of a long and a narrow magnetic field gradient pulse is feasible. In this work, an experimental verification is presented showing that pores can be imaged using short gradient pulses only. Experiments were carried out using hyperpolarized xenon gas in well-defined pores. The phase required for pore image reconstruction was retrieved from double diffusion encoded (DDE) measurements, while the magnitude could either be obtained from DDE signals or classical diffusion measurements with single encoding. The occurring image artifacts caused by restrictions of the gradient system, insufficient diffusion time, and by the phase reconstruction approach were investigated. Employing short gradient pulses only is advantageous compared to the initial long-narrow approach due to a more flexible sequence design when omitting the long gradient and due to faster convergence to the diffusion long-time limit, which may enable application to larger pores.

  13. Acoustic spin pumping in magnetoelectric bulk acoustic wave resonator

    Energy Technology Data Exchange (ETDEWEB)

    Polzikova, N. I., E-mail: polz@cplire.ru; Alekseev, S. G.; Pyataikin, I. I.; Kotelyanskii, I. M.; Luzanov, V. A.; Orlov, A. P. [Kotel’nikov Institute of Radio Engineering and Electronics of Russian Academy of Sciences, Mokhovaya 11, building 7, Moscow, 125009 (Russian Federation)

    2016-05-15

    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.

  14. 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. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. 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.

  16. Design of a triple resonance magic angle sample spinning probe for high field solid state nuclear magnetic resonance

    Science.gov (United States)

    Martin, Rachel W.; Paulson, Eric K.; Zilm, Kurt W.

    2003-06-01

    Standard design and construction practices used in building nuclear magnetic resonance (NMR) probes for the study of solid state samples become difficult if not entirely impractical to implement as the 1H resonance frequency approaches the self resonance frequency of commercial capacitors. We describe an approach that utilizes short variable transmission line segments as tunable reactances. Such an approach effectively controls stray reactances and provides a higher Q alternative to ceramic chip capacitors. The particular probe described is built to accommodate a 2.5 mm magic angle spinning rotor system, and is triply tuned to 13C, 15N, and 1H frequencies for use at 18.8 T (200, 80, and 800 MHz, respectively). Isolation of the three radio frequency (rf) channels is achieved using both a rejection trap and a transmission line notch filter. The compact geometry of this design allows three channels with high power handling capability to fit in a medium bore (63 mm) magnet. Extended time variable temperature operation is integral to the mechanical design, enabling the temperature control necessary for investigation of biological macromolecules. Accurate measurement of the air temperature near the sample rotor is achieved using a fiber optic thermometer, which does not interfere with the rf electronics. We also demonstrate that acceptable line shapes are only readily achieved using zero magnetic susceptibility wire in construction of the sample coil. Computer simulation of the circuit aided in the physical design of the probe. Representative data illustrating the efficiency, rf homogeneity, and signal to noise factor of the probe are presented.

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

    Science.gov (United States)

    Mitchell, Jonathan; Fordham, Edmund J.

    2014-11-01

    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.

  18. Study on VCSEL laser heating chip in nuclear magnetic resonance gyroscope

    Science.gov (United States)

    Liang, Xiaoyang; Zhou, Binquan; Wu, Wenfeng; Jia, Yuchen; Wang, Jing

    2017-10-01

    In recent years, atomic gyroscope has become an important direction of inertial navigation. Nuclear magnetic resonance gyroscope has a stronger advantage in the miniaturization of the size. In atomic gyroscope, the lasers are indispensable devices which has an important effect on the improvement of the gyroscope performance. The frequency stability of the VCSEL lasers requires high precision control of temperature. However, the heating current of the laser will definitely bring in the magnetic field, and the sensitive device, alkali vapor cell, is very sensitive to the magnetic field, so that the metal pattern of the heating chip should be designed ingeniously to eliminate the magnetic field introduced by the heating current. In this paper, a heating chip was fabricated by MEMS process, i.e. depositing platinum on semiconductor substrates. Platinum has long been considered as a good resistance material used for measuring temperature The VCSEL laser chip is fixed in the center of the heating chip. The thermometer resistor measures the temperature of the heating chip, which can be considered as the same temperature of the VCSEL laser chip, by turning the temperature signal into voltage signal. The FPGA chip is used as a micro controller, and combined with PID control algorithm constitute a closed loop control circuit. The voltage applied to the heating resistor wire is modified to achieve the temperature control of the VCSEL laser. In this way, the laser frequency can be controlled stably and easily. Ultimately, the temperature stability can be achieved better than 100mK.

  19. Computed Tomography and Nuclear Magnetic Resonance to study the internal structure and measure weathering

    Science.gov (United States)

    Zornoza-Indart, A.; Lopez-Arce, P.; Alvarez de Buergo, M.; Fort, R.

    2012-04-01

    Outdoor stone heritage is prone to decay due to its direct exposure to weathering agents such us thermal shock caused by isolation processes, salt crystallization phenomena, atmospheric pollutants effects on stone surfaces, freezing and thawing cycles or biodeterioration o decay provoked by biogenic activity. These damages use to affect the surface of the objects or elements causing de-cohesions (flaking, spallings, grain disintegration), material loss or color changes, but also use to affect the internal structure of the objects, although they are not visible, causing internal pressures, fissures and fractures, mineral transformations or inner biodeterioration compromising objects conservation. For this reason, the study of the internal structure of the objects is necessary to establish its weathering and conservation state, to determine its restoration needs and achieve its conservation. Moreover, in cultural heritage where the originality of the objects and their historical or artistic values are so important the use of non-destructive techniques result necessary for their study without causing any damage by sampling. In this work X ray Computed Tomography (CT) and Nuclear Magnetic Resonance (NMR) are used to analyze rock samples (dolostones used in historical buildings from Central Spain and Madrid both in the city and in the province) subjected to different artificial accelerated ageing tests (thermal shock, salt crystallization, freezing and thawing cycles and marine aerosol) to simulate the most common outdoor heritage deterioration scenarios. The changes in the internal structure and pore system modifications are studied with these non-destructive techniques. Nuclear Magnetic Resonance (both imaging and relaxometry) experiments were performed in stone specimens to observe and to quantify the location and distribution of water inside the objects, been able to analyze pore size and location. X ray Computed Tomography was used for visualizing and locating

  20. 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.

  1. Development of an iron quantification method using nuclear magnetic resonance relaxometry

    Science.gov (United States)

    Sherwood, Jennifer; Lovas, Kira; Bao, Yuping

    2017-05-01

    Biocompatibility has prompted a great amount of research in iron oxide nanoparticles (IONPs) as alternative magnetic resonance imaging (MRI) contrast agents. Iron concentration analysis is a key parameter to determine the relaxivities of IONPs as MRI contrast agents. Currently available methods for iron quantification are mainly inductively coupled plasma mass spectrometry (ICP-MS) and ferrozine-based iron assays. ICP spectrometry may not be easily accessible for routine analysis while iron assays are highly sensitive to sample preparation. In this paper, we present an alternative method for quantifying iron concentration using nuclear magnetic resonance (NMR) relaxometry, a technique commonly used for developing MRI contrast agents. To quantify iron concentration with NMR, a standard curve of relaxation rate versus iron concentrations was created to obtain the relaxivity of Fe3+ iron in solution. After dissolving IONPs in an acid, the iron concentration of the solution can be obtained using the relaxation times and the relaxivity of Fe3+ iron from the standard curve. The accuracy and sensitivity of this NMR method were verified by comparing with ICP analysis and ferrozine-based iron assays. Results indicate that this NMR method for iron concentration analysis was accurate for concentrations as low as 0.005 mM. In addition, the relaxivity of Fe3+ iron was sensitive to the type of acids to dissolve the IONPs, indicating that the same acid should be used for sample dissolution and the standard curve.

  2. Noise suppression for the differential detection in nuclear magnetic resonance gyroscope

    Science.gov (United States)

    Yang, Dan; Zhou, Binquan; Chen, LinLin; Jia, YuChen; Lu, QiLin

    2017-10-01

    The nuclear magnetic resonance gyroscope is based on spin-exchange optical pumping of noble gases to detect and measure the angular velocity of the carrier, but it would be challenging to measure the precession signal of noble gas nuclei directly. To solve the problem, the primary detection method utilizes alkali atoms, the precession of nuclear magnetization modulates the alkali atoms at the Larmor frequency of nuclei, relatively speaking, and it is easier to detect the precession signal of alkali atoms. The precession frequency of alkali atoms is detected by the rotation angle of linearly polarized probe light; and differential detection method is commonly used in NMRG in order to detect the linearly polarized light rotation angle. Thus, the detection accuracy of differential detection system will affect the sensitivity of the NMRG. For the purpose of further improvement of the sensitivity level of the NMRG, this paper focuses on the aspects of signal detection, and aims to do an error analysis as well as an experimental research of the linearly light rotation angle detection. Through the theoretical analysis and the experimental illustration, we found that the extinction ratio σ2 and DC bias are the factors that will produce detective noise in the differential detection method.

  3. The cosmic axion spin precession experiment (CASPEr): a dark-matter search with nuclear magnetic resonance

    Science.gov (United States)

    Garcon, Antoine; Aybas, Deniz; Blanchard, John W.; Centers, Gary; Figueroa, Nataniel L.; Graham, Peter W.; Kimball, Derek F. Jackson; Rajendran, Surjeet; Gil Sendra, Marina; Sushkov, Alexander O.; Trahms, Lutz; Wang, Tao; Wickenbrock, Arne; Wu, Teng; Budker, Dmitry

    2018-01-01

    The cosmic axion spin precession experiment (CASPEr) is a nuclear magnetic resonance experiment (NMR) seeking to detect axion and axion-like particles which could make up the dark matter present in the Universe. We review the predicted couplings of axions and axion-like particles with baryonic matter that enable their detection via NMR. We then describe two measurement schemes being implemented in CASPEr. The first method, presented in the original CASPEr proposal, consists of a resonant search via continuous-wave NMR spectroscopy. This method offers the highest sensitivity for frequencies ranging from a few Hz to hundreds of MHz, corresponding to masses {m}{{a}}∼ {10}-14–{10}-6 eV. Sub-Hz frequencies are typically difficult to probe with NMR due to the diminishing sensitivity of magnetometers in this region. To circumvent this limitation, we suggest new detection and data processing modalities. We describe a non-resonant frequency-modulation detection scheme, enabling searches from mHz to Hz frequencies ({m}{{a}}∼ {10}-17–{10}-14 eV), extending the detection bandwidth by three decades.

  4. 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

  5. Pulsed-field gradient nuclear magnetic resonance study of transport properties of fluid catalytic cracking catalysts.

    Science.gov (United States)

    Kortunov, P; Vasenkov, S; Kärger, J; Fé Elía, M; Perez, M; Stöcker, M; Papadopoulos, G K; Theodorou, D; Drescher, B; McElhiney, G; Bernauer, B; Krystl, V; Kocirik, M; Zikanova, A; Jirglova, H; Berger, C; Gläser, R; Weitkamp, J; Hansen, E W

    2005-02-01

    Pulsed-field gradient nuclear magnetic resonance (PFG NMR) has been applied to study molecular diffusion in industrial fluid catalytic cracking (FCC) catalysts and in USY zeolite for a broad range of molecular displacements and temperatures. The results of this study have been used to elucidate the relevance of molecular transport on various displacements for the rate of molecular exchange between catalyst particles and their surroundings. It turned out that this rate, which may determine the overall rate and selectivity of FCC process, is primarily related to the diffusion mode associated with displacements larger than the size of zeolite crystals located in the particles but smaller than the size of the particles. This conclusion has been confirmed by comparative studies of the catalytic performance of different FCC catalysts.

  6. A low noise photoelectric signal acquisition system applying in nuclear magnetic resonance gyroscope

    Science.gov (United States)

    Lu, Qilin; Zhang, Xian; Zhao, Xinghua; Yang, Dan; Zhou, Binquan; Hu, Zhaohui

    2017-10-01

    The nuclear magnetic resonance gyroscope serves as a new generation of strong support for the development of high-tech weapons, it solves the core problem that limits the development of the long-playing seamless navigation and positioning. In the NMR gyroscope, the output signal with atomic precession frequency is detected by the probe light, the final crucial photoelectric signal of the probe light directly decides the quality of the gyro signal. But the output signal has high sensitivity, resolution and measurement accuracy for the photoelectric detection system. In order to detect the measured signal better, this paper proposed a weak photoelectric signal rapid acquisition system, which has high SNR and the frequency of responded signal is up to 100 KHz to let the weak output signal with high frequency of the NMR gyroscope can be detected better.

  7. 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.

  8. 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.

  9. Fluorine nuclear magnetic resonance-based assay in living mammalian cells.

    Science.gov (United States)

    Veronesi, Marina; Giacomina, Francesca; Romeo, Elisa; Castellani, Beatrice; Ottonello, Giuliana; Lambruschini, Chiara; Garau, Gianpiero; Scarpelli, Rita; Bandiera, Tiziano; Piomelli, Daniele; Dalvit, Claudio

    2016-02-15

    Nuclear magnetic resonance (NMR)-based screening has been recognized as a powerful approach for the identification and characterization of molecules interacting with pharmaceutical targets. Indeed, several NMR methods have been developed and successfully applied to many drug discovery projects. Whereas most of these approaches have targeted isolated biomolecular receptors, very few cases are reported with the screening performed in intact cells and cell extracts. Here we report the first successful application of the fluorine NMR-based assay n-FABS (n-fluorine atoms for biochemical screening) in living mammalian cells expressing the membrane protein fatty acid amide hydrolase (FAAH). This method allows the identification of both weak and potent inhibitors and the measurement of their potency in a physiological environment. Copyright © 2015 Elsevier Inc. All rights reserved.

  10. 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.

  11. Solid state nuclear magnetic resonance studies of cross polarization from quadrupolar nuclei

    Energy Technology Data Exchange (ETDEWEB)

    De Paul, Susan M. [Univ. of California, Berkeley, CA (United States)

    1997-08-01

    The development of solid-state Nuclear Magnetic Resonance (NMR) has, to a large extent, focused on using spin-1/2 nuclei as probes to investigate molecular structure and dynamics. For such nuclei, the technique of cross polarization is well-established as a method for sensitivity enhancement. However, over two-thirds of the nuclei in the periodic table have a spin-quantum number greater than one-half and are known as quadrupolar nuclei. Such nuclei are fundamental constituents of many inorganic materials including minerals, zeolites, glasses, and gels. It is, therefore, of interest to explore the extent to which polarization can be transferred from quadrupolar nuclei. In this dissertation, solid-state NMR experiments involving cross polarization from quadrupolar nuclei to spin-1/2 nuclei under magic-angle spinning (MAS) conditions are investigated in detail.

  12. Vertical resolution enhancement of petrophysical Nuclear Magnetic Resonance (NMR) log using ordinary kriging

    Science.gov (United States)

    Bagheripour, Parisa; Asoodeh, Mojtaba; Nazarpour, Ayoob

    2013-09-01

    Nuclear Magnetic Resonance (NMR) logging provides priceless information about hydrocarbon bearing intervals such as free fluid porosity and permeability. This study focuses on using geostatistics from NMR logging instruments at high depths of investigation to enhance vertical resolution for better understanding of reservoirs. In this study, a NMR log was used such that half of its midpoint data was used for geostatistical model construction using an ordinary kriging technique and the rest of the data points were used for assessing the performance of the constructed model. This strategy enhances the resolution of NMR logging by twofold. Results indicated that the correlation coefficient between measured and predicted permeability and free fluid porosity is equal to 0.976 and 0.970, respectively. This means that geostatistical modeling is capable of enhancing the vertical resolution of NMR logging. This study was successfully applied to carbonate reservoir rocks of the South Pars Gas Field.

  13. Determining petrophysical properties of low resistivity reservoirs using nuclear magnetic resonance (NMR) log

    Energy Technology Data Exchange (ETDEWEB)

    Hamada, G.M.; El-Blehed, M.S.; Al-Awad Musaed, N.J. [King Saud Univ., Riyadh (Saudi Arabia). Dept. of Petroleum Engineering

    1999-11-01

    The use of Nuclear Magnetic Resonance (NMR) to provide information on the productivity of low resistivity reservoirs and low resistivity contrast reservoirs was discussed. Resistivity logs have shown to be very effective in the evaluation of normal reservoirs. However, it has been shown that for low resistivity reservoirs it is very difficult to accurately determine the petrophysical parameters using conventional logs because it is difficult to determine water hydrocarbon contact. NMR has proven to be a very cost-effective tool to accurately determine the petrophysical properties of reservoir rock. When analysing NMR data, the following aspects of NMR techniques were used: (1) T1/T2 ratio for fluid identification, (2) the difference between NMR derived porosity and total porosity to determine the types of clay minerals, and (3) NMR relaxation properties to identify the fluids nature and rock properties. In this study, high contrast NMR identified the fluid nature of two formations and accurately identified the height of the oil column.

  14. Quantitative determination of dimethylaminoethanol in cosmetic formulations by nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Batista, Ivani Aparecida Soares de Andrade; Gonçalves, Maria Inês de Almeida; Singh, Anil Kumar; Hackmann, Erika Rosa Maria Kedor; Santoro, Maria Inês Rocha Miritello

    2008-01-01

    A nuclear magnetic resonance (NMR) spectroscopic method was validated for the quantitative determination of dimethylaminoethanol (DMAE) in cosmetic formulations. The linearity in the range from 0.5000 to 1.5000 g (DMAE salt/mass maleic acid) presents a correlation coefficient > 0.99 for all DMAE salts. The repeatability (intraday), expressed as relative standard deviation, ranged from 1.08 to 1.44% for samples and 1.31 to 1.88% for raw materials. The detection limit and quantitation limit were 0.0017 and 0.0051 g for DMAE, 0.0018 and 0.0054 g for DMAE bitartrate, and 0.0023 and 0.0071 g for DMAE acetamidobenzoate, respectively. The proposed method is simple, precise, and accurate and can be used in the quality control of raw materials and cosmetic gels containing these compounds as active substances.

  15. Ethanol determination in frozen fruit pulps: an application of quantitative nuclear magnetic resonance.

    Science.gov (United States)

    da Silva Nunes, Wilian; de Oliveira, Caroline Silva; Alcantara, Glaucia Braz

    2016-04-01

    This study reports the chemical composition of five types of industrial frozen fruit pulps (acerola, cashew, grape, passion fruit and pineapple fruit pulps) and compares them with homemade pulps at two different stages of ripening. The fruit pulps were characterized by analyzing their metabolic profiles and determining their ethanol content using quantitative Nuclear Magnetic Resonance (qNMR). In addition, principal component analysis (PCA) was applied to extract more information from the NMR data. We detected ethanol in all industrial and homemade pulps; and acetic acid in cashew, grape and passion fruit industrial and homemade pulps. The ethanol content in some industrial pulps is above the level recommended by regulatory agencies and is near the levels of some post-ripened homemade pulps. This study demonstrates that qNMR can be used to rapidly detect ethanol content in frozen fruit pulps and food derivatives. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

  16. 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...

  17. Tracking thermal degradation on passion fruit juice through Nuclear Magnetic Resonance and chemometrics.

    Science.gov (United States)

    Soares, Marcia Valeria L; Alves Filho, Elenilson G; Silva, Lorena Mara A; Novotny, Etelvino Henrique; Canuto, Kirley Marques; Wurlitzer, Nedio Jair; Narain, Narendra; de Brito, Edy Sousa

    2017-03-15

    Thermal food processing mainly aims to control microorganism in order to extend its shelf life. However, it may induce chemical and nutritional changes in foodstuff. The Nuclear Magnetic Resonance (NMR) coupled to multivariate analysis was used to evaluate the effect of different thermal processing conditions (85 and 140°C for 4; 15; 30; and 60s) on the passion fruit juice using an Armfield pasteurizer. Through this approach it was possible to identify the changes in the juice composition. The temperature and the time lead to a hydrolysis of the sucrose to glucose and fructose. Additionally, juice submitted to 140°C for 60s results in the degradation of the sucrose and the formation of 5-(hydroxymethyl)-2-furfural (HMF). Despite no novel chemical marker has been identified, the 1 H NMR chemometrics approach may contribute in the choice of the temperature and time to be employed in the juice processing. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Enabling surface nuclear magnetic resonance at high-noise environments using a pre-polarization pulse

    Science.gov (United States)

    Lin, Tingting; Yang, Yujing; Teng, Fei; Müller-Petke, Mike

    2018-02-01

    The technique of surface nuclear magnetic resonance (SNMR) has been widely used for hydrological investigations in recent years. Unfortunately, the detected SNMR signals are limited to tens of nanovolts and are thus susceptible to environmental noise. While pre-polarization pulses to enhance the detected signal amplitudes are common in laboratory applications, SNMR field testing has only utilized excitation pulses until now. In conducting measurements in China, we demonstrate that adding a pre-polarization field to the SNMR pulse sequence is feasible and allows for the reliable detection of SNMR signals in noisy scenarios that otherwise prohibit signal detection. We introduce a forward modelling for pre-polarization using SNMR and present a three-layer model obtained from inverse modelling that satisfies the observed data from the field experiment. We expect this development to open up new applications for SNMR technology, especially in high-noise level places, such as active mines.

  19. NATO Advanced Research Workshop on 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...

  20. Quantitative nuclear magnetic resonance for purity assessment of polycyclic aromatic hydrocarbons

    Science.gov (United States)

    Guimarães, E. F.; Vieira, A. A.; Rego, E. C. P.; Garrido, B. C.; Rodrigues, J. M.; Figueroa-Villar, J. D.

    2015-08-01

    The application of 1H quantitative nuclear magnetic resonance (1H qNMR) for purity determination of organic compounds is well documented in the literature. The aim of this work is to determine if the 1H qNMR method produces consistent values for the purity of polycyclic aromatic hydrocarbons (PAH) and is sufficiently accurate for the certification of reference materials. For this purpose, 15 different commercial PAH standards had their purity evaluated by 1H qNMR. The purity values and the associated expanded uncertainty of the 15 analyzed PAH ranged from (97.21 ± 0.28)% to (99.52 ± 1.10)%. The expanded measurement uncertainties were acceptable for the certification of reference materials and the purity values were in the expected range, confirming, therefore, that qNMR is appropriate for this type of analysis.

  1. Simulation of 13C nuclear magnetic resonance spectra for isodon terpenoid

    Science.gov (United States)

    Yang, Guochen; Tong, Jianbo; Liu, Shuling

    2008-11-01

    A quantitative structure spectroscopy relationship (QSSR) model of 13C nuclear magnetic resonance (NMR) of 7000 carbon atoms in 350 isodon terpenoid compounds has been developed using atomic electronegativity distance vector (AEDV) and atomic hybridization state index (AHSI). The prediction correlation coefficient ( R) value of the QSSR model based on multiple linear regression analysis was 0.9542. The stability and prediction capacity of the QSSR model have been tested using the leave-one-out cross-validation and test sets methodology. The correlation coefficients R obtained were 0.9540 and 0.9556, respectively, which showed that the predictive potential of the proposed models has good modeling stability and prediction ability.

  2. 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...

  3. Is biomedical nuclear magnetic resonance limited by a revisitable paradigm in physics?

    Science.gov (United States)

    de Certaines, J D

    2005-12-14

    The history of nuclear magnetic resonance (NMR) can be divided generally into two phases: before the Second World War, molecular beam methods made it possible to detect the whole set of spins. However, these methods were destructive for the sample and had a very low precision. The publications of F. Bloch and E. Purcell in 1946 opened up a second phase for NMR with the study of condensed matter, but at the expense of an enormous loss in theoretical sensitivity. During more than half a century, the method of Bloch and Purcell, based on inductive detection of the NMR signal, has allowed many developments in biomedicine. But, curiously, this severely constraining limitation on sensitivity has not been called into question during this half-century, as if the pioneers of the pre-war period had been forgotten.

  4. 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.

  5. Iterative Development of an Application to Support Nuclear Magnetic Resonance Data Analysis of Proteins.

    Science.gov (United States)

    Ellis, Heidi J C; Nowling, Ronald J; Vyas, Jay; Martyn, Timothy O; Gryk, Michael R

    2011-04-11

    The CONNecticut Joint University Research (CONNJUR) team is a group of biochemical and software engineering researchers at multiple institutions. The vision of the team is to develop a comprehensive application that integrates a variety of existing analysis tools with workflow and data management to support the process of protein structure determination using Nuclear Magnetic Resonance (NMR). The use of multiple disparate tools and lack of data management, currently the norm in NMR data processing, provides strong motivation for such an integrated environment. This manuscript briefly describes the domain of NMR as used for protein structure determination and explains the formation of the CONNJUR team and its operation in developing the CONNJUR application. The manuscript also describes the evolution of the CONNJUR application through four prototypes and describes the challenges faced while developing the CONNJUR application and how those challenges were met.

  6. 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

  7. A solid state nuclear magnetic resonance study of industrial inorganic pigments

    CERN Document Server

    Dajda, N

    2002-01-01

    Nuclear magnetic resonance has been used to look at a number of colourful ceramic pigment systems, most of which are sold commercially in large quantities. Doped zircon (ZrSiO sub 4) pigments were examined using sup 1 sup 9 F, sup 2 sup 3 Na, sup 2 sup 9 Si, sup 5 sup 1 V and sup 9 sup 1 Zr NMR. In these systems, paramagnetic species are incorporated into the sample in small quantities creating the colourful pigment. The impurity dopants in the systems studied either dope directly into lattice sites in the zircon, or form an extra chemical phase. NMR was able to distinguish between these two doping mechanisms in a number of doped zircon pigments. Most spectra showed effects which were due to the magnetic influence of paramagnetic colouring species, and the strength of the interaction depended on the magnetic moment of the ion containing the unpaired electron. In the case of vanadium doped zircon, the moment was small enough that it allowed extra contact shifted peaks to be resolved in the spectra which indica...

  8. Nuclear magnetic resonance signal dynamics of liquids in the presence of distant dipolar fields, revisited.

    Science.gov (United States)

    Barros, Wilson; Gochberg, Daniel F; Gore, John C

    2009-05-07

    The description of the nuclear magnetic resonance magnetization dynamics in the presence of long-range dipolar interactions, which is based upon approximate solutions of Bloch-Torrey equations including the effect of a distant dipolar field, has been revisited. New experiments show that approximate analytic solutions have a broader regime of validity as well as dependencies on pulse-sequence parameters that seem to have been overlooked. In order to explain these experimental results, we developed a new method consisting of calculating the magnetization via an iterative formalism where both diffusion and distant dipolar field contributions are treated as integral operators incorporated into the Bloch-Torrey equations. The solution can be organized as a perturbative series, whereby access to higher order terms allows one to set better boundaries on validity regimes for analytic first-order approximations. Finally, the method legitimizes the use of simple analytic first-order approximations under less demanding experimental conditions, it predicts new pulse-sequence parameter dependencies for the range of validity, and clarifies weak points in previous calculations.

  9. Analysis of Influence Factors on Nuclear magnetic Resonance Measurement and Correction Method in Igneous Rocks

    Science.gov (United States)

    Tan, M.

    2016-12-01

    Nuclear magnetic resonance (NMR) logging has significant advantages in reservoir identification, fluid typing, and calculation of porosity and permeability in sedimentary rocks. However, NMR well logging porosity was badly underestimated, which limited the application of NMR logging technology. Therefore, it is necessary to analyze the influence factors on NMR measurement and study the correction method and logging interpretation model in igneous rocks. Based on the characteristics of igneous rocks, influence factors are investigated from two aspects of NMR experimental and theoretical perspective. The laboratory analysis indicates that the relative error between NMR porosity and core porosity generally increases from acid tuff and rhyolite, intermediate andesite and granite-porphyry, and falic basalt. Moreover, NMR porosity relative error increases with paramagnetic substance such as iron, manganese and nickel concentrations increasing. Theoretically, NMR relaxation mechanism indicates that the magnetic susceptibility leads to additional internal magnetic field gradient, which makes T2relaxation distribution shift forward and the porosity relative error also generally increases with the magnetic susceptibility rising. Therefore, the paramagnetic substance and high magnetic susceptibility lead to the NMR porosity underestimation. How to correct the NMR measurement in igneous rocks is another key problem. In view of the above analysis, the empirical formula of NMR porosity correction was built based on paramagnetic element content by using multiple regression. Moreover, we considered the influences of diffusion relaxation and improved the inversion algorithm, and the T2distribution was subsequently corrected. The simulation experiment proves the correction method effective. In case study, NMR logging data was reprocessed by this new method, and the NMR porosity and permeability match well with core laboratory measurements, and the corrected T2 distributions shift

  10. 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

  11. Analysis of cocondensation of melamine and urea through carbon 13 enriched formaldehyde with C-13 nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Bunichiro Tomita; Chung-Yun Hse

    1995-01-01

    The urea-formaldehyde (UF) resins, melamine-formaldehyde (MF) resins, and melamine-ureaformaldehyde (MUF) cocondensed resins were synthesized using the labeling method with 13C enriched formaldehyde under neutral conditions and their 13C-NMR (nuclear magnetic resonance) spectra were analyzed. The remarkable down-field...

  12. Dislocation dynamics in Al-Mg-Zn alloys : A nuclear magnetic resonance and transmission electron microscopic study

    NARCIS (Netherlands)

    Hosson, J.Th.M. De; Kanert, O.; Schlagowski, U.; Boom, G.

    1988-01-01

    Pulsed nuclear magnetic resonance (NMR) proved to be a complementary new technique for the study of moving dislocations in Al-Mg-Zn alloys. The NMR technique, in combination with transmission electron microscopy (TEM), has been applied to study dislocation motion in Al-0.6 at. % Mg-1 at. % Zn and

  13. Control of porphyrin biosynthesis in Rhodopseudomonas spheroides and Propionibacterium shermanii. A direct 13C nuclear-magnetic-resonance spectroscopy study.

    Science.gov (United States)

    Burton, G; Jordan, P M; MacKenzie, N E; Fagerness, P E; Scott, A I

    1981-01-01

    The facultative anaerobes Rhodopseudomonas spheroides and Propionibacterium shermanii were grown under anaerobic and aerobic conditions. The effect of light was studied with the photosynthetic R. spheroides, and the adaptation of both species to dark anaerobic life was monitored by direct observation of 5-amino[5-13C]laevulinic acid metabolism by using 13C nuclear-magnetic-resonance spectroscopy. PMID:6975620

  14. Profiling planktonic biomass using element-specific, multicomponent nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Komatsu, Takanori; Kobayashi, Toshiya; Hatanaka, Minoru; Kikuchi, Jun

    2015-06-02

    Planktonic metabolism plays crucial roles in Earth's elemental cycles. Chemical speciation as well as elemental stoichiometry is important for advancing our understanding of planktonic roles in biogeochemical cycles. In this study, a multicomponent solid-state nuclear magnetic resonance (NMR) approach is proposed for chemical speciation of cellular components, using several advanced NMR techniques. Measurements by ssNMR were performed on (13)C and (15)N-labeled Euglena gracilis, a flagellated protist. 3D dipolar-assisted rotational resonance, double-cross-polarization (1)H-(13)C correlation spectroscopy, and (1)H-(13)C solid-state heteronuclear single quantum correlation spectroscopy successively allowed characterization of cellular components. These techniques were then applied to E. gracilis cultured in high and low ammonium media to demonstrate the power of this method for profiling and comparing cellular components. Cellular NMR spectra indicated that ammonium induced both paramylon degradation and amination. Arginine was stored as a nitrogen reserve and ammonium replaced by arginine catabolism via the arginine dihydrolase pathway. (15)N and (31)P cellular ssNMR indicated arginine and polyphosphate accumulation in E. gracilis, respectively. This chemical speciation technique will contribute to environmental research by providing detailed information on environmental chemical properties.

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

    Energy Technology Data Exchange (ETDEWEB)

    Wood, Ryan M.; Tokarski, John T.; McCarthy, Lauren A.; Bowers, Clifford R., E-mail: bowers@chem.ufl.edu [Department of Chemistry, University of Florida, Gainesville, Florida 32611 (United States); Stanton, Christopher J. [Department of Physics, University of Florida, Gainesville, Florida 32611 (United States)

    2016-08-28

    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.

  16. High throughput prediction of chylomicron triglycerides in human plasma by nuclear magnetic resonance and chemometrics

    Science.gov (United States)

    2010-01-01

    Background The lipid content of the chylomicrons is a key biomarker and risk factor of cardiovascular diseases and for the understanding of obesity. A high throughput determination of chylomicrons in human blood plasma is outlined. Methods The new method, which uses a combination of Nuclear Magnetic Resonance (NMR) analysis and multivariate calibration analysis (chemometrics), is based on a correlation analysis towards the established standard method (ultracentrifugation and colorimetric test kit) and enables extraordinarily fast, inexpensive, and robust prediction of triglyceride (TG) content in chylomicrons. It is the position and shape of the complex lipid methylene resonance band that determines the chylomicron TG status and this information is extracted by the multivariate regression method. Results The resulting method is a relatively simple multivariate model that facilitates parsimonious and accurate prediction of chylomicron lipids from NMR spectra of blood. The chemometric model predicts the chylomicron TG content with a correlation coefficient (R) of 0.96 when plotted against density gradient ultracentrifugation data. Conclusions The new rapid method facilitates large scale clinical and nutritional trials with inclusion of diagnostics of chylomicron status and thus creates new opportunities for research in lifestyle diseases and obesity. PMID:20470366

  17. Characterization of lipid rafts in human platelets using nuclear magnetic resonance: A pilot study

    Directory of Open Access Journals (Sweden)

    Joshua F. Ceñido

    2017-07-01

    Full Text Available Lipid microdomains (‘lipid rafts’ are plasma membrane subregions, enriched in cholesterol and glycosphingolipids, which participate dynamically in cell signaling and molecular trafficking operations. One strategy for the study of the physicochemical properties of lipid rafts in model membrane systems has been the use of nuclear magnetic resonance (NMR, but until now this spectroscopic method has not been considered a clinically relevant tool. We performed a proof-of-concept study to test the feasibility of using NMR to study lipid rafts in human tissues. Platelets were selected as a cost-effective and minimally invasive model system in which lipid rafts have previously been studied using other approaches. Platelets were isolated from plasma of medication-free adult research participants (n=13 and lysed with homogenization and sonication. Lipid-enriched fractions were obtained using a discontinuous sucrose gradient. Association of lipid fractions with GM1 ganglioside was tested using HRP-conjugated cholera toxin B subunit dot blot assays. 1H high resolution magic-angle spinning nuclear magnetic resonance (HRMAS NMR spectra obtained with single-pulse Bloch decay experiments yielded spectral linewidths and intensities as a function of temperature. Rates of lipid lateral diffusion that reported on raft size were measured with a two-dimensional stimulated echo longitudinal encode-decode NMR experiment. We found that lipid fractions at 10–35% sucrose density associated with GM1 ganglioside, a marker for lipid rafts. NMR spectra of the membrane phospholipids featured a prominent ‘centerband’ peak associated with the hydrocarbon chain methylene resonance at 1.3 ppm; the linewidth (full width at half-maximum intensity of this ‘centerband’ peak, together with the ratio of intensities between the centerband and ‘spinning sideband’ peaks, agreed well with values reported previously for lipid rafts in model membranes. Decreasing

  18. MRI (Magnetic Resonance Imaging)

    Science.gov (United States)

    ... and Procedures Medical Imaging MRI (Magnetic Resonance Imaging) MRI (Magnetic Resonance Imaging) Share Tweet Linkedin Pin it More sharing options ... usually given through an IV in the arm. MRI Research Programs at FDA Magnetic Resonance Imaging (MRI) ...

  19. Magnetic Resonance Imaging

    Science.gov (United States)

    ... specific information about your own examination. What is magnetic resonance imaging (MRI)? What is MRI used for? How safe ... What is the MRI examination like? What is magnetic resonance imaging (MRI)? MRI, or magnetic resonance imaging, is a ...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-06-01

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

  1. Magnetic resonance-guided shielding of prefocal acoustic obstacles in focused ultrasound therapy: application to intercostal ablation in liver.

    Science.gov (United States)

    Salomir, Rares; Petrusca, Lorena; Auboiroux, Vincent; Muller, Arnaud; Vargas, Maria-Isabel; Morel, Denis R; Goget, Thomas; Breguet, Romain; Terraz, Sylvain; Hopple, Jerry; Montet, Xavier; Becker, Christoph D; Viallon, Magalie

    2013-06-01

    The treatment of liver cancer is a major public health issue because the liver is a frequent site for both primary and secondary tumors. Rib heating represents a major obstacle for the application of extracorporeal focused ultrasound to liver ablation. Magnetic resonance (MR)-guided external shielding of acoustic obstacles (eg, the ribs) was investigated here to avoid unwanted prefocal energy deposition in the pathway of the focused ultrasound beam. Ex vivo and in vivo (7 female sheep) experiments were performed in this study. Magnetic resonance-guided high-intensity focused ultrasound (MRgHIFU) was performed using a randomized 256-element phased-array transducer (f∼1 MHz) and a 3-T whole-body clinical MR scanner. A physical mask was inserted in the prefocal beam pathway, external to the body, to block the energy normally targeted on the ribs. The effectiveness of the reflecting material was investigated by characterizing the efficacy of high-intensity focused ultrasound beam reflection and scattering on its surface using Schlieren interferometry. Before high-intensity focused ultrasound sonication, the alignment of the protectors with the conical projections of the ribs was required and achieved in multiple steps using the embedded graphical tools of the MR scanner. Multiplanar near real-time MR thermometry (proton resonance frequency shift method) enabled the simultaneous visualization of the local temperature increase at the focal point and around the exposed ribs. The beam defocusing due to the shielding was evaluated from the MR acoustic radiation force impulse imaging data. Both MR thermometry (performed with hard absorber positioned behind a full-aperture blocking shield) and Schlieren interferometry indicated a very good energy barrier of the shielding material. The specific temperature contrast between rib surface (spatial average) and focus, calculated at the end point of the MRgHIFU sonication, with protectors vs no protectors, indicated an important

  2. 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...

  3. Iron overload in a teenager with xerocytosis: the importance of nuclear magnetic resonance imaging

    Energy Technology Data Exchange (ETDEWEB)

    Assis, Reijâne Alves de; Kassab, Carolina; Seguro, Fernanda Salles [Hospital Israelita Albert Einstein, São Paulo, SP (Brazil); Costa, Fernando Ferreira [Universidade Estadual de Campinas, Campinas, SP (Brazil); Silveira, Paulo Augusto Achucarro [Hospital Israelita Albert Einstein, São Paulo, SP (Brazil); Wood, John [University of Southern California, California (United States); Hamerschlak, Nelson [Hospital Israelita Albert Einstein, São Paulo, SP (Brazil)

    2013-07-01

    To report a case of iron overload secondary to xerocytosis, a rare disease in a teenager, diagnosed, by T2* magnetic resonance imaging. We report the case of a symptomatic patient with xerocytosis, a ferritin level of 350ng/mL and a significant cardiac iron overload. She was diagnosed by T2* magnetic resonance imaging and received chelation therapy Ektacytometric analysis confirmed the diagnosis of hereditary xerocytosis. Subsequent T2* magnetic resonance imaging demonstrated complete resolution of the iron overload in various organs, as a new echocardiography revealed a complete resolution of previous cardiac alterations. The patient remains in chelation therapy. Xerocytosis is a rare autosomal dominant genetic disorder characterized by dehydrated stomatocytosis. The patient may present with intense fatigue and iron overload. We suggest the regular use of T2* magnetic resonance imaging for the diagnosis and control of the response to iron chelation in xerocytosis, and we believe it can be used also in other hemolytic anemia requiring transfusions.

  4. Iron overload in a teenager with xerocytosis: the importance of nuclear magnetic resonance imaging.

    Science.gov (United States)

    Assis, Reijâne Alves de; Kassab, Carolina; Seguro, Fernanda Salles; Costa, Fernando Ferreira; Silveira, Paulo Augusto Achucarro; Wood, John; Hamerschlak, Nelson

    2013-12-01

    To report a case of iron overload secondary to xerocytosis, a rare disease in a teenager, diagnosed, by T2* magnetic resonance imaging. We report the case of a symptomatic patient with xerocytosis, a ferritin level of 350ng/mL and a significant cardiac iron overload. She was diagnosed by T2* magnetic resonance imaging and received chelation therapy Ektacytometric analysis confirmed the diagnosis of hereditary xerocytosis. Subsequent T2* magnetic resonance imaging demonstrated complete resolution of the iron overload in various organs, as a new echocardiography revealed a complete resolution of previous cardiac alterations. The patient remains in chelation therapy. Xerocytosis is a rare autosomal dominant genetic disorder characterized by dehydrated stomatocytosis. The patient may present with intense fatigue and iron overload. We suggest the regular use of T2* magnetic resonance imaging for the diagnosis and control of the response to iron chelation in xerocytosis, and we believe it can be used also in other hemolytic anemia requiring transfusions.

  5. Nuclear magnetic resonance technology in acupoint catgut embedding therapy for the treatment of menopausal panic disorder: its applications

    Science.gov (United States)

    Chen, Gui-zhen; Zhang, Sha-sha; Xu, Yun-xiang; Wang, Xiao-yun

    2012-03-01

    Nuclear Magnetic Resonance (NMR) is a diagnostic method which is non-invasive and non-ionizing irradiative to the human body. It not only suits structural, but also functional imaging. The NMR technique develops rapidly in its application in life science, which has become the hotspot in recent years. Menopausal panic disorder (MPD) is a typical psychosomatic disease during climacteric period, which may affect physical and mental health. Looking for a convenient, effective, and safe method, which is free of toxic-side effects to control the disease, is a modern medical issue. Based on reviewing the etiology and pathogenesis of MPD according to dual traditional Chinese medicine (TCM) and western medicine, further analyzed the advantages and principles for selecting acupoint prescription by tonifying kidney and benefiting marrow therapy for acupoint catgut-embedding to this disease. The application of Nuclear Magnetic Resonance Spectroscopy (NMRS) and Magnetic Resonance Imaging (MRI) technologies in mechanism research on acupoint catgut embedding for the treatment of MPD was discussed. It's pointed out that this intervention method is safe and effective to treat MPD. Breakthrough will be achieved from the research of the selection of acupoint prescription and therapeutic mechanism of acupoint catgut embedding for the treatment of menopausal panic disorder by utilizing the Functional Nuclear Magnetic Resonance Imaging (fMRI) and Metabonomics technologies.

  6. 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...

  7. Numerical simulation and experimental study on Resonant Acoustic Chambers-For novel, high-efficiency nuclear particle detectors

    Energy Technology Data Exchange (ETDEWEB)

    Wang Jing; Archambault, Brian [School of Nuclear Engineering, Purdue University, West Lafayette, IN (United States); Xu, Yiban [Westinghouse Electric Company, Cranberry Township, PA, 16066 (United States); Taleyarkhan, Rusi P., E-mail: rusi@purdue.ed [School of Nuclear Engineering, Purdue University, West Lafayette, IN (United States)

    2010-11-15

    Acoustic-structural-electromagnetic coupled models have been successfully set up for Resonant Acoustic Chambers (RACs). RACs have important applications in several areas such as radiation detection, sonoluminescence and sonofusion. The goal of this undertaking was able to simulate transient acoustically driven metastable states and structural responses so that the designs of RACs can be optimized for advanced applications. The simulation predictions have been benchmarked with experimental data in two designs of RACs, Open Chamber System (OCS) and Closed Chamber System (CCS). A framework was developed for benchmarking and validating the predicted resonant frequency and oscillatory pressure mapping profiles with and without scattering centers. Experiments were conducted with and without external neutron-induced cavitation bubble clusters. Comparison of measurements versus experimental data demonstrated the applicability of the modeling-cum-simulation framework. Studies have provided insights into the significant and complex influences of fluid-structure-electromagnetic coupling and on the influence of scattering center inclusions on the system's acoustic responses. The framework appears reasonable for design of advanced, high-powered RACs; however, significant technical challenges remain with respect to capturing the overall system performance upon evolution and transport of transient bubble clusters.

  8. 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.

  9. 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.

  10. 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

  11. Detection of Hydroxyl and Perhydroxyl Radical Generation from Bleaching Agents with Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Sharma, Himanshu; Sharma, Divya S

    Children/adolescent's orodental structures are different in anatomy and physiology from that of adults, therefore require special attention for bleaching with oxidative materials. Hydroxyl radical (OH(.)) generation from bleaching agents has been considered directly related to both its clinical efficacy and hazardous effect on orodental structures. Nonetheless bleaching agents, indirectly releasing hydrogen peroxide (H2O2), are considered safer yet clinically efficient. Apart from OH(.), perhydroxyl radicals (HO2(.)) too, were detected in bleaching chemistry but not yet in dentistry. Therefore, the study aims to detect the OH(.) and HO2(.) from bleaching agents with their relative integral value (RIV) using (31)P nuclear magnetic resonance ((31)PNMR) spectroscope. Radicals were generated with UV light in 30% H2O2, 35% carbamide peroxide (CP), sodium perborate tetrahydrate (SPT) and; neutral and alkaline 30% H2O2. Radicals were spin-trapped with DIPPMPO in NMR tubes for each test agents as a function of time (0, 1, 2, 3min) at their original pH. Peaks were detected for OH(.) and HO2(.) on NMR spectrograph. RIV were read and compared for individual radicals detected. Only OH(.) were detected from acidic and neutral bleaching agent (30% acidic and neutral H2O2, 35%CP); both HO2(.) and OH(.) from 30% alkaline H2O2; while only HO2(.) from more alkaline SPT. RIV for OH(.) was maximum at 1min irradiation of acidic 30%H2O2 and 35%CP and minimum at 1min irradiation of neutral 30%H2O2. RIV for HO2(.)was maximum at 0min irradiation of alkaline 30%H2O2 and minimum at 2min irradiation of SPT. The bleaching agents having pH- neutral and acidic were always associated with OH(.); weak alkaline with both OH(.) and HO2(.); and strong alkaline with HO2(.) only. It is recommended to check the pH of the bleaching agents and if found acidic, should be made alkaline to minimize oxidative damage to enamel itself and then to pulp/periodontal tissues. H2O2: hydrogen peroxide CP: carbamide

  12. 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.

  13. 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.

  14. 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

  15. Rapid identification of non-sporing anaerobes using nuclear magnetic resonance spectroscopy and an identification strategy

    Directory of Open Access Journals (Sweden)

    Menon S

    2007-01-01

    Full Text Available Purpose: The non-sporing anaerobes cause a wide spectrum of infections. They are difficult to culture and their identification is tedious and time-consuming. Rapid identification of anaerobes is highly desirable. Towards this end, the potential of nuclear magnetic resonance (NMR spectroscopy for providing a fingerprint within the proton spectrum of six genera belonging to anaerobes reflecting their characteristic metabolites has been investigated. Methods: NMR analysis was carried out using Mercury plus Varian 300 MHz (7.05 T NMR spectrophotometer on six different anaerobes. These included Bacteroides fragilis, Prevotella melaninogenica, Prevotella denticola, Fusobacterium necrophorum, Peptococcus niger and Peptostreptococcus spp. After the NMR analysis (256/512 scans, the different peaks were noted. The eight pus specimens, which yielded pure culture of anaerobe, also were analysed similarly. Results: The major resonances of multiplex of amino acids/lipid at 0.9 ppm along with lactate/lipid at 1.3 ppm, acetate at 1.92 ppm and multiplex of lysine at 3.0 ppm remained constant to label the organism as an anaerobe. There was a difference found in the MR spectra of different genera and species. A simple algorithm was developed for the identification of the six different anaerobes studied. The MR spectra of the pure culture of the organism matched the MR spectra of pus from which the organism was isolated. Conclusions: MR-based identification was of value in the identification of anaerobes. However, a larger database of the peaks produced by anaerobes needs to be created for identification of all genera and species. It could then have the potential of diagnosing an anaerobic infection in vivo and thus expedite management of deep-seated abscesses.

  16. Novel 1H low field nuclear magnetic resonance applications for the field of biodiesel

    Science.gov (United States)

    2013-01-01

    Background Biodiesel production has increased dramatically over the last decade, raising the need for new rapid and non-destructive analytical tools and technologies. 1H Low Field Nuclear Magnetic Resonance (LF-NMR) applications, which offer great potential to the field of biodiesel, have been developed by the Phyto Lipid Biotechnology Lab research team in the last few years. Results Supervised and un-supervised chemometric tools are suggested for screening new alternative biodiesel feedstocks according to oil content and viscosity. The tools allowed assignment into viscosity groups of biodiesel-petrodiesel samples whose viscosity is unknown, and uncovered biodiesel samples that have residues of unreacted acylglycerol and/or methanol, and poorly separated and cleaned glycerol and water. In the case of composite materials, relaxation time distribution, and cross-correlation methods were successfully applied to differentiate components. Continuous distributed methods were also applied to calculate the yield of the transesterification reaction, and thus monitor the progress of the common and in-situ transesterification reactions, offering a tool for optimization of reaction parameters. Conclusions Comprehensive applied tools are detailed for the characterization of new alternative biodiesel resources in their whole conformation, monitoring of the biodiesel transesterification reaction, and quality evaluation of the final product, using a non-invasive and non-destructive technology that is new to the biodiesel research area. A new integrated computational-experimental approach for analysis of 1H LF-NMR relaxometry data is also presented, suggesting improved solution stability and peak resolution. PMID:23590829

  17. Monitoring of the insecticide trichlorfon by phosphorus-31 nuclear magnetic resonance ({sup 31}P NMR) spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Talebpour, Zahra [Department of Chemistry, Faculty of Science, Alzahra University, Vanak, Tehran (Iran, Islamic Republic of); Ghassempour, Alireza [Medicinal Plants and Drugs Research Institute, Shahid Beheshti University, Faculty of Science, Chemistry Research Center, Evin, Tehran (Iran, Islamic Republic of)]. E-mail: aghassempour@scientist.com; Zendehzaban, Mehdi [Medicinal Plants and Drugs Research Institute, Shahid Beheshti University, Faculty of Science, Chemistry Research Center, Evin, Tehran (Iran, Islamic Republic of); Bijanzadeh, Hamid Reza [Faculty of Science, Tarbiat Modarres University, Tehran (Iran, Islamic Republic of); Mirjalili, Mohammad Hossein [Medicinal Plants and Drugs Research Institute, Shahid Beheshti University, Faculty of Science, Chemistry Research Center, Evin, Tehran (Iran, Islamic Republic of)

    2006-08-25

    Trichlorfon is an organophosphorus insecticide, which is extensively being used for protection of fruit crops. Trichlorfon is a thermal labile compound, which cannot be easily determined by gas chromatography (GC) and has no suitable group for sensitive detection by high performance liquid chromatography (HPLC). In this study, a {sup 31}P nuclear magnetic resonance ({sup 31}P NMR) has been described for monitoring of trichlorfon without any separation step. The quantitative works of {sup 31}P NMR spectroscopy has been performed in the presence of an internal standard (hexamethylphosphoramide). Limit of detection (LOD) for this method has been found to be 55 mg L{sup -1}, without any sample preparation, and the linear working range was 150-5500 mg L{sup -1}. Relative standard deviation (R.S.D.%) of the method for three replicates within and between days was obtained {<=}9%. The average recovery efficiency was approximately 99-112%. This method was applied for monitoring trichlorfon in a commercial insecticide sample and tomato sample.

  18. New insights into pre-lithiation kinetics of graphite anodes via nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Holtstiege, Florian; Schmuch, Richard; Winter, Martin; Brunklaus, Gunther; Placke, Tobias

    2018-02-01

    Pre-lithiation of anode materials can be an effective method to compensate active lithium loss which mainly occurs in the first few cycles of a lithium ion battery (LIB), due to electrolyte decomposition and solid electrolyte interphase (SEI) formation at the surface of the anode. There are many different pre-lithiation methods, whereas pre-lithiation using metallic lithium constitutes the most convenient and widely utilized lab procedure in literature. In this work, for the first time, solid state nuclear magnetic resonance spectroscopy (NMR) is applied to monitor the reaction kinetics of the pre-lithiation process of graphite with lithium. Based on static 7Li NMR, we can directly observe both the dissolution of lithium metal and parallel formation of LiCx species in the obtained NMR spectra with time. It is also shown that the degree of pre-lithiation as well as distribution of lithium metal on the electrode surface have a strong impact on the reaction kinetics of the pre-lithiation process and on the remaining amount of lithium metal. Overall, our findings are highly important for further optimization of pre-lithiation methods for LIB anode materials, both in terms of optimized pre-lithiation time and appropriate amounts of lithium metal.

  19. Probing gender-specific metabolism differences in humans by nuclear magnetic resonance-based metabonomics.

    Science.gov (United States)

    Kochhar, Sunil; Jacobs, Doris M; Ramadan, Ziad; Berruex, France; Fuerholz, Andreas; Fay, Laurent B

    2006-05-15

    The measurement of metabolite profiles that are interpreted to yield biomarkers using multivariate data analysis is now a well-established approach for gaining an improved understanding of the impact of genetic modifications, toxicological and therapeutic interventions, and exposure to stimuli (e.g., noxious agents, stressors, nutrients) on the network of transcripts, proteins, and metabolites present in cells, tissues, or whole organisms. This has been termed metabonomics. In this study, multivariate analysis of (1)H nuclear magnetic resonance (NMR) spectra of metabolite profiles of urine and plasma from 150 healthy humans revealed that in young people and/or individuals with low body mass indexes, females had higher rates of lipid biosynthesis than did males, whereas males had higher rates of protein turnover than did females. With increasing age, overall lipid biosynthesis decreased in females, whereas metabolism increasingly favored lipid synthesis over protein turnover in males. By relating the derived metabonomic data to known metabolic pathways and published biochemical data, it appears that females synthesize relatively more lipoproteins and unsaturated lipids than do males. Furthermore, the changes in lipid biosynthesis and urinary citrate excretion in females showed a positive correlation. Estrogen most likely plays an essential role in the regulation of, and communication between, protein and lipid biosynthesis by controlling pH in mitochondria and the cytoplasm and hence the observed altered citrate levels.

  20. 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.

  1. Errors in the Calculation of 27Al Nuclear Magnetic Resonance Chemical Shifts

    Directory of Open Access Journals (Sweden)

    Hui Zhao

    2012-11-01

    Full Text Available Computational chemistry is an important tool for signal assignment of 27Al nuclear magnetic resonance spectra in order to elucidate the species of aluminum(III in aqueous solutions. The accuracy of the popular theoretical models for computing the 27Al chemical shifts was evaluated by comparing the calculated and experimental chemical shifts in more than one hundred aluminum(III complexes. In order to differentiate the error due to the chemical shielding tensor calculation from that due to the inadequacy of the molecular geometry prediction, single-crystal X-ray diffraction determined structures were used to build the isolated molecule models for calculating the chemical shifts. The results were compared with those obtained using the calculated geometries at the B3LYP/6-31G(d level. The isotropic chemical shielding constants computed at different levels have strong linear correlations even though the absolute values differ in tens of ppm. The root-mean-square difference between the experimental chemical shifts and the calculated values is approximately 5 ppm for the calculations based on the X-ray structures, but more than 10 ppm for the calculations based on the computed geometries. The result indicates that the popular theoretical models are adequate in calculating the chemical shifts while an accurate molecular geometry is more critical.

  2. Application of two-dimensional J-resolved nuclear magnetic resonance spectroscopy to differentiation of beer

    Energy Technology Data Exchange (ETDEWEB)

    Khatib, Alfi [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Wilson, Erica G. [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Kim, Hye Kyong [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Lefeber, Alfons W.M. [Division of NMR, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Erkelens, Cornelis [Division of NMR, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Choi, Young Hae [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands)]. E-mail: y.choi@chem.leidenuniv.nl; Verpoorte, Robert [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands)

    2006-02-16

    A number of ingredients in beer that directly or indirectly affect its quality require an unbiased wide-spectrum analytical method that allows for the determination of a wide array of compounds for its efficient control. {sup 1}H nuclear magnetic resonance (NMR) spectroscopy is a method that clearly meets this description as the broad range of compounds in beer is detectable. However, the resulting congestion of signals added to the low resolution of {sup 1}H NMR spectra makes the identification of individual components very difficult. Among two-dimensional (2D) NMR techniques that increase the resolution, J-resolved NMR spectra were successfully applied to the analysis of 2-butanol extracts of beer as overlapping signals in {sup 1}H NMR spectra were fully resolved by the additional axis of the coupling constant. Principal component analysis based on the projected J-resolved NMR spectra showed a clear separation between all of the six brands of pilsner beer evaluated in this study. The compounds responsible for the differentiation were identified by 2D NMR spectra including correlated spectroscopy and heteronuclear multiple bond correlation spectra together with J-resolved spectra. They were identified as nucleic acid derivatives (adenine, uridine and xanthine), amino acids (tyrosine and proline), organic acid (succinic and lactic acid), alcohol (tyrosol and isopropanol), cholines and carbohydrates.

  3. Numerical analysis of nuclear magnetic resonance relaxation-diffusion responses of sedimentary rock

    Energy Technology Data Exchange (ETDEWEB)

    Arns, Christoph H; AlGhamdi, Tariq; Arns, Ji-Youn, E-mail: c.arns@unsw.edu.au [School of Petroleum Engineering, University of New South Wales, Sydney, NSW 2052 (Australia)

    2011-01-15

    The nuclear magnetic resonance (NMR) relaxation-diffusion response of porous reservoir rock is frequently used, e.g. in oil field applications, to extract characteristic length scales of pore space or information about saturating fluids. External gradients are typically applied to encode for diffusion. In reservoir rocks, field inhomogeneities due to internal gradients can even at low fields be strong enough to interfere with this encoding. Furthermore, the encoding for diffusion coefficients of fluids takes a finite amount of time, during which diffusing fluid molecules can experience restricted diffusion. Both effects can combine to make the interpretation of the diffusion dimension of a relaxation-diffusion measurement difficult. We use x-ray-CT images of porous rock samples to define the solid and fluid phases of reservoir rock and simulate the full experimental pulse sequence, taking into account the static applied field, external gradients and internal gradients as a function of susceptibility of each component, and surface and bulk relaxation properties of fluids and fluid-fluid and fluid-solid interfaces. We carry out simulations of NMR relaxation-diffusion measurements, while explicitly tracking the time-dependent diffusion coefficient in each fluid as well as associated local gradients. This allows us to quantify the influence of restricted diffusion and internal gradients for common choices of experimental parameters.

  4. Molecular changes in soy and wheat breads during storage as probed by nuclear magnetic resonance (NMR).

    Science.gov (United States)

    Lodi, Alessia; Tiziani, Stefano; Vodovotz, Yael

    2007-07-11

    Addition of raw ground almond has been shown to improve loaf quality (e.g., loaf specific volume) of soy bread. To better understand the effects of almond addition to soy bread and to follow these through storage, nuclear magnetic resonance spectroscopy relaxation times and cross-relaxation experiments were performed. Spin-spin relaxation times of water protons were similar for the two soy breads, and therefore changes of water interactions with the other components of the soy breads (with and without almond) were not considered to be major contributors to the differences in loaf quality observed between these breads. Additionally, T2 values of water protons were found to have a similar decreasing trend during storage, especially up to day 3, for all of the products studied. On the other hand, during storage, lipid proton relaxation times exhibited only small changes in wheat and regular soy bread, whereas the soy-almond bread showed a major decrease of lipid proton mobility in particular after day 3 and up to day 10. These findings may indicate that, after a few days of storage, the lipid fraction contributes to better plasticization of the soy bread with almond, which can affect acceptability and storage stability of the final product. Thus, the higher amount of lipids introduced in the almond-enriched soy bread is likely to be responsible for the improved loaf quality and may significantly affect shelf stability of the soy-containing product.

  5. Dynamics of asymmetric binary glass formers. II. Results from nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Bock, D; Kahlau, R; Pötzschner, B; Körber, T; Wagner, E; Rössler, E A

    2014-03-07

    Various (2)H and (31)P nuclear magnetic resonance (NMR) spectroscopy techniques are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene-d3 (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 (α1-process), the second reorienting isotropically (α2-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 α2-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 (31)P NMR spectra prove exchange within the broadly distributed α2-process. As demonstrated by (2)H NMR, the PS matrix reflects the faster α2-process of TPP by performing a spatially highly hindered motion on the same timescale.

  6. 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.

  7. 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.

  8. 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.

  9. In Situ Nuclear Magnetic Resonance Response of Permafrost and Active Layer in Boreal and Tundra Ecosystems

    Science.gov (United States)

    Kass, A.; Minsley, B. J.; Irons, T. P.; Pastick, N. J.; Brown, D. N.; Wylie, B. K.

    2016-12-01

    Characterization of permafrost, particularly warm and near-surface permafrost (which can contain significant unfrozen water), is critical to understanding complex interrelationships with climate change, ecosystems, and disturbances such as wildfires. Understanding the vulnerability and resilience of permafrost landscapes to environmental change requires an interdisciplinary approach, relying on (for example) geophysical investigations, ecological characterization, direct observations, remote sensing, and more. As part of a multi-year investigation into the impacts of wildfires to permafrost, we have collected in situ measurements of the nuclear magnetic resonance (NMR) response of active layer and permafrost in a variety of soil conditions, types, and saturations. The miniaturized borehole NMR data can directly quantify the significant amounts of unfrozen water within warm permafrost, as well as characterize the distribution of that water throughout the pores. Our observations are consistent with the laboratory-derived model of ice nucleating at the center of pores and growing outwards. Random walk simulations also support this conceptual model. In this presentation, we summarize the NMR data and present relationships between active layer and permafrost liquid water content and pore sizes. We also discuss relationships between electrical resistivity, NMR response, and permafrost as a function of soil type.

  10. Hepatic glycerol metabolism in tumorous rats: a 13C nuclear magnetic resonance study.

    Science.gov (United States)

    Liu, K J; Drucker, Y; Jarad, J

    1995-02-15

    Cancer cachexia contributes to the demise of a significant number of cancer patients, and severe loss of adipose tissue is a prominent component of this syndrome. One of the products of fat catabolism is glycerol, and its turnover is elevated in the cancerous state. Since glycerol is also one of the most important gluconeogenic substrates, its role in the augmented and abnormal gluconeogenesis of cancer hosts needs to be defined. In the present study, we examined hepatic glycerol metabolism in livers of Fischer 344 rats bearing s.c. nonmetastatic adenocarcinoma R3230AC. Five weeks after tumor inoculation, the liver was removed and perfused with 5 mM [2-13C]glycerol while 13C nuclear magnetic resonance spectroscopy was performed. In the livers of tumorous rats, we found: (a) lipogenesis from glycerol was augmented; (b) the rate of hepatic glycerol uptake was unchanged; (c) glucose production from glycerol was not altered; and (d) conversion of glycerol 3-phosphate to dihydroxyacetone phosphate remains the rate-limiting step. Therefore, it appears that, in cancer hosts, diminished glycerol clearance is not due to reduction in hepatic glycerol uptake or metabolism, and the abnormal gluconeogenesis involves the pathway prior to the entry of glycerol. The exaggerated lipolysis is probably used for the pathological hepatomegaly, and the availability of the cytosolic hydrogen acceptor remains the rate-limiting factor for glycerol metabolism.

  11. 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.

  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. Assessment of structural changes of human teeth by low-field nuclear magnetic resonance (NMR)

    Science.gov (United States)

    Ni, Qingwen; Chen, Shuo

    2010-01-01

    A technique of low-field pulsed proton nuclear magnetic resonance (NMR) spin relaxation is described for assessment of age-related structural changes (dentin and pulp) of human teeth in vitro. The technique involves spin-spin relaxation measurement and inversion spin-spin spectral analysis methods. The spin-spin relaxation decay curve is converted into a T2 distribution spectrum by a sum of single exponential decays. The NMR spectra from the extracted dentin-portion-only and dental pulp-cells-only were compared with the whole extracted teeth spectra, for the dentin and pulp peak assignments. While dentin and pulp are highly significant parameters in determining tooth quality, variations in these parameters with age can be used as an effective tool for estimating tooth quality. Here we propose an NMR calibration method—the ratio of the amount of dentin to the amount of pulp obtained from NMR T2 distribution spectra can be used for measuring the age-related structural changes in teeth while eliminating any variations in size of teeth. Eight teeth (third molars) extracted from humans, aged among 17-67 years old, were tested in this study. It is found that the intensity ratio of dentin to pulp sensitively changes from 0.48 to 3.2 approaching a linear growth with age. This indicates that age-related structural changes in human teeth can be detected using the low-field NMR technique.

  14. Nuclear magnetic resonance T 2 spectrum: multifractal characteristics and pore structure evaluation

    Science.gov (United States)

    Yan, Jian-Ping; He, Xu; Geng, Bin; Hu, Qin-Hong; Feng, Chun-Zhen; Kou, Xiao-Pan; Li, Xing-Wen

    2017-06-01

    Pore structure characteristics are important to oil and gas exploration in complex low-permeability reservoirs. Using multifractal theory and nuclear magnetic resonance (NMR), we studied the pore structure of low-permeability sandstone rocks from the 4th Member (ES4) of the Shahejie Formation in the south slope of the Dongying Sag. We used the existing pore structure data from petrophysics, core slices, and mercury injection tests to classify the pore structure into three categories and five subcategories. Then, the T 2 spectra of samples with different pore structures were interpolated, and the one- and three-dimensional fractal dimensions and the multifractal spectrum were obtained. Parameters α (intensity of singularity) and f (α) (density of distribution) were extracted from the multifractal spectra. The differences in the three fractal dimensions suggest that the pore structure types correlate with α and f (α). The results calculated based on the multifractal spectrum is consistent with that of the core slices and mercury injection. Finally, the proposed method was applied to an actual logging profile to evaluate the pore structure of low-permeability sandstone reservoirs.

  15. Calculation of porosity from nuclear magnetic resonance and conventional logs in gas-bearing reservoirs

    Science.gov (United States)

    Xiao, Liang; Mao, Zhi-qiang; Li, Gao-ren; Jin, Yan

    2012-08-01

    The porosity may be overestimated or underestimated when calculated from conventional logs and also underestimated when derived from nuclear magnetic resonance (NMR) logs due to the effect of the lower hydrogen index of natural gas in gas-bearing sandstones. Proceeding from the basic principle of NMR log and the results obtained from a physical rock volume model constructed on the basis of interval transit time logs, a technique of calculating porosity by combining the NMR log with the conventional interval transit time log is proposed. For wells with the NMR log acquired from the MRIL-C tool, this technique is reliable for evaluating the effect of natural gas and obtaining accurate porosity in any borehole. In wells with NMR log acquired from the CMR-Plus tool and with collapsed borehole, the NMR porosity should be first corrected by using the deep lateral resistivity log. Two field examples of tight gas sandstones in the Xujiahe Formation, central Sichuan basin, Southwest China, illustrate that the porosity calculated by using this technique matches the core analyzed results very well. Another field example of conventional gas-bearing reservoir in the Ziniquanzi Formation, southern Junggar basin, Northwest China, verifies that this technique is usable not only in tight gas sandstones, but also in any gas-bearing reservoirs.

  16. 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.

  17. 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.

  18. Nuclear magnetic resonance spectroscopy based metabolomics to identify novel biomarkers of alcohol-dependence

    Directory of Open Access Journals (Sweden)

    Hamza Mostafa

    2017-04-01

    Full Text Available Alcohol misuse is a ravaging public health and social problem. Its harm can affect the drinkers and the whole society. Alcohol-dependence is a phase of alcohol misuse in which the drinker consumes excessive amounts of alcohol and has a continuous urge to consume alcohol. Current methods of alcohol dependence diagnoses are questionnaires and some biomarkers. However, both methods lack specificity and sensitivity. Metabolomics is a scientific field which deals with the identification and the quantification of the metabolites present in the metabolome using spectroscopic techniques such as nuclear magnetic resonance (NMR. Metabolomics helps to indicate the perturbation in the levels of metabolites in cells and tissues due to diseases or ingestion of any substances. NMR is one of the most widely used spectroscopic techniques in metabolomics because of its reproducibility and speed. Some recent metabolomics studies were conducted on alcohol consumption and alcohol misuse in animals and humans. However, few focused on identifying alcohol dependence novel biomarkers. A sensitive and specific technique such as NMR based metabolomics applied to find novel biomarkers in plasma and urine can be useful to diagnose alcohol-dependence.

  19. Effects of cardiovascular lifestyle change on lipoprotein subclass profiles defined by nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Decewicz, David J; Neatrour, David M; Burke, Amy; Haberkorn, Mary Jane; Patney, Heather L; Vernalis, Marina N; Ellsworth, Darrell L

    2009-06-29

    Low-density lipoprotein (LDL) cholesterol lowering is a primary goal in clinical management of patients with cardiovascular disease, but traditional cholesterol levels may not accurately reflect the true atherogenicity of plasma lipid profiles. The size and concentration of lipoprotein particles, which transport cholesterol and triglycerides, may provide additional information for accurately assessing cardiovascular risk. This study evaluated changes in plasma lipoprotein profiles determined by nuclear magnetic resonance (NMR) spectroscopy in patients participating in a prospective, nonrandomized lifestyle modification program designed to reverse or stabilize progression of coronary artery disease (CAD) to improve our understanding of lipoprotein management in cardiac patients. The lifestyle intervention was effective in producing significant changes in lipoprotein subclasses that contribute to CAD risk. There was a clear beneficial effect on the total number of LDL particles (-8.3%, p lifestyle change program were not confounded by lipid-lowering medications. In at risk patients motivated to participate, an intensive lifestyle change program can effectively alter traditional CAD risk factors and plasma lipoprotein subclasses and may reduce risk for cardiovascular events. Improvements in lipoprotein subclasses are more evident in men compared to women.

  20. Effects of cardiovascular lifestyle change on lipoprotein subclass profiles defined by nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Patney Heather L

    2009-06-01

    Full Text Available Abstract Background Low-density lipoprotein (LDL cholesterol lowering is a primary goal in clinical management of patients with cardiovascular disease, but traditional cholesterol levels may not accurately reflect the true atherogenicity of plasma lipid profiles. The size and concentration of lipoprotein particles, which transport cholesterol and triglycerides, may provide additional information for accurately assessing cardiovascular risk. This study evaluated changes in plasma lipoprotein profiles determined by nuclear magnetic resonance (NMR spectroscopy in patients participating in a prospective, nonrandomized lifestyle modification program designed to reverse or stabilize progression of coronary artery disease (CAD to improve our understanding of lipoprotein management in cardiac patients. Results The lifestyle intervention was effective in producing significant changes in lipoprotein subclasses that contribute to CAD risk. There was a clear beneficial effect on the total number of LDL particles (-8.3%, p Conclusion In at risk patients motivated to participate, an intensive lifestyle change program can effectively alter traditional CAD risk factors and plasma lipoprotein subclasses and may reduce risk for cardiovascular events. Improvements in lipoprotein subclasses are more evident in men compared to women.

  1. 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. Copyright © 2015 Elsevier Ltd. All rights reserved.

  2. Solid-state nuclear magnetic resonance studies of vinyl polymer/silica colloidal nanocomposite particles.

    Science.gov (United States)

    Lee, Daniel; Balmer, Jennifer A; Schmid, Andreas; Tonnar, Jeff; Armes, Steven P; Titman, Jeremy J

    2010-10-05

    Solid-state nuclear magnetic resonance (NMR) has been used to characterize the interface between the organic and inorganic components of "core-shell" colloidal nanocomposite particles synthesized by in situ aqueous (co)polymerization of styrene and/or n-butyl acrylate in the presence of a glycerol-functionalized silica sol. Polymer protons are in close proximity (nanocomposites studied, indicating that either styrene or n-butyl side groups extend between the glycerol-functional silane molecules toward the surface of the silica particles. For the poly(styrene-co-n-butyl acrylate)/silica nanocomposite n-butyl acrylate residues are located closer to the surface of the silica particle than styrene residues, suggesting a specific interaction between the former and the glycerol-functionalized silica surface. The most likely explanation is a hydrogen bond between the ester carbonyl and the glycerol groups, although this cannot be observed directly. For the Bindzil CC40 glycerol-functionalized silica sol the relative intensities of (29)Si NMR lines corresponding to T and Q(3) environments imply that there are approximately twice as many unreacted silanol groups on the silica surface as attached silane molecules.

  3. 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.

  4. Metabolomics with Nuclear Magnetic Resonance Spectroscopy in a Drosophila melanogaster Model of Surviving Sepsis

    Science.gov (United States)

    Bakalov, Veli; Amathieu, Roland; Triba, Mohamed N.; Clément, Marie-Jeanne; Reyes Uribe, Laura; Le Moyec, Laurence; Kaynar, Ata Murat

    2016-01-01

    Patients surviving sepsis demonstrate sustained inflammation, which has been associated with long-term complications. One of the main mechanisms behind sustained inflammation is a metabolic switch in parenchymal and immune cells, thus understanding metabolic alterations after sepsis may provide important insights to the pathophysiology of sepsis recovery. In this study, we explored metabolomics in a novel Drosophila melanogaster model of surviving sepsis using Nuclear Magnetic Resonance (NMR), to determine metabolite profiles. We used a model of percutaneous infection in Drosophila melanogaster to mimic sepsis. We had three experimental groups: sepsis survivors (infected with Staphylococcus aureus and treated with oral linezolid), sham (pricked with an aseptic needle), and unmanipulated (positive control). We performed metabolic measurements seven days after sepsis. We then implemented metabolites detected in NMR spectra into the MetExplore web server in order to identify the metabolic pathway alterations in sepsis surviving Drosophila. Our NMR metabolomic approach in a Drosophila model of recovery from sepsis clearly distinguished between all three groups and showed two different metabolomic signatures of inflammation. Sham flies had decreased levels of maltose, alanine, and glutamine, while their level of choline was increased. Sepsis survivors had a metabolic signature characterized by decreased glucose, maltose, tyrosine, beta-alanine, acetate, glutamine, and succinate. PMID:28009836

  5. Parameters and symbols for use in nuclear magnetic resonance (IUPAC recommendations 1997).

    Science.gov (United States)

    Harris, R K; Kowalewski, J; Cabral de Menezes, S

    1998-01-01

    NMR is now frequently the technique of choice for the determination of chemical structure in solution. Its uses also span structure in solids and mobility at the molecular level in all phases. The research literature in the subject is vast and ever-increasing. Unfortunately, many articles do not contain sufficient information for experiments to be repeated elsewhere, and there are many variations in the usage of symbols for the same physical quantity. It is the aim of the present recommendations to provide simple check-lists that will enable such problems to be minimised in a way that is consistent with general IUPAC formulation. The area of medical NMR and imaging is not specifically addressed in these recommendations, which are principally aimed at the mainstream use of NMR by chemists (of all sub-disciplines) and by many physicists, biologists, materials scientists and geologists etc. working with NMR. The document presents recommended notation for use in journal publications involving a significant contribution of nuclear magnetic resonance (NMR) spectroscopy. The recommendations are in two parts: (1) Experimental parameters which should be listed so that the work in question can be repeated elsewhere. (2) A list of symbols (using Roman or Greek characters) to be used for quantities relevant to NMR.

  6. Dynamics of pistachio oils by proton nuclear magnetic resonance relaxation dispersion.

    Science.gov (United States)

    Conte, Pellegrino; Mineo, Valerio; Bubici, Salvatore; De Pasquale, Claudio; Aboud, Farid; Maccotta, Antonella; Planeta, Diego; Alonzo, Giuseppe

    2011-05-01

    A number of pistachio oils were selected in order to test the efficacy of nuclear magnetic resonance relaxation dispersion (NMRD) technique in the evaluation of differences among oils (1) obtained from seeds subjected to different thermal desiccation processes, (2) retrieved from seeds belonging to the same cultivar grown in different geographical areas and (3) produced by using seed cultivars sampled in the same geographical region. NMRD measures relaxation rate values which are related to the dynamics of the chemical components of complex food systems. Results not only allowed to relate kinematic viscosity to relaxometry parameters but also were successful in the differentiation among the aforementioned oils. In fact, from the one hand, the larger the kinematic viscosity, the faster the rotational motions appeared as compared to the translational ones. On the other hand, relaxation rate curves (NMRD) varied according to the oxidative stresses and chemical composition of each sample. The present study showed for the first time that NMRD is a very promising technique for quick evaluations of pistachio oil quality without the need for time-consuming chemical manipulations.

  7. 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. © The Author(s) 2016.

  8. 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.

  9. Experimental realization of Shor's quantum factoring algorithm using nuclear magnetic resonance.

    Science.gov (United States)

    Vandersypen, L M; Steffen, M; Breyta, G; Yannoni, C S; Sherwood, M H; Chuang, I L

    The number of steps any classical computer requires in order to find the prime factors of an l-digit integer N increases exponentially with l, at least using algorithms known at present. Factoring large integers is therefore conjectured to be intractable classically, an observation underlying the security of widely used cryptographic codes. Quantum computers, however, could factor integers in only polynomial time, using Shor's quantum factoring algorithm. Although important for the study of quantum computers, experimental demonstration of this algorithm has proved elusive. Here we report an implementation of the simplest instance of Shor's algorithm: factorization of N = 15 (whose prime factors are 3 and 5). We use seven spin-1/2 nuclei in a molecule as quantum bits, which can be manipulated with room temperature liquid-state nuclear magnetic resonance techniques. This method of using nuclei to store quantum information is in principle scalable to systems containing many quantum bits, but such scalability is not implied by the present work. The significance of our work lies in the demonstration of experimental and theoretical techniques for precise control and modelling of complex quantum computers. In particular, we present a simple, parameter-free but predictive model of decoherence effects in our system.

  10. 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)

  11. (1)H nuclear magnetic resonance (NMR)-based serum metabolomics of human gallbladder inflammation.

    Science.gov (United States)

    Sharma, Raj Kumar; Mishra, Kumudesh; Farooqui, Alvina; Behari, Anu; Kapoor, Vinay Kumar; Sinha, Neeraj

    2017-01-01

    We present in this article (1)H nuclear magnetic resonance (NMR)-based metabolic approach to screen the serum metabolic alterations in human gallbladder inflammation with chronic cholecystitis (CC). Total of 71 human serum samples was divided into two groups, (n = 41, CC) and (n = 30 control). (1)H NMR metabolic profiling was carried out for investigation of metabolic alterations. Multivariate statistical analysis was applied for pattern recognition and identification of metabolites playing crucial role in gallbladder inflammation. Receiver operating curve (ROC) and pathway analysis on NMR data were also carried out to validate the findings. Serum metabolites such as glutamine, low-density lipoprotein (LDL), very low-density lipoprotein (VLDL), alanine, branch chained amino acids (BCAA), histidine and tyrosine were found to be depleted whereas formate, lactate, 1,2-propanediol were found to be elevated in CC. Metabolic pathways associated with metabolite alteration have also been reported. NMR has been established for disease diagnosis along with identification of metabolic pattern recognition in biofluids. Gallstones cause inflammation of the gallbladder in the form of CC. Inflammation plays a major role in causation of gall bladder cancer and leads the way to malignancy. Metabolic analysis of CC may lead to early diagnosis of disease and its progression to gallbladder cancer.

  12. Human plasma metabolomics in age-related macular degeneration (AMD) using nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Laíns, Inês; Duarte, Daniela; Barros, António S; Martins, Ana Sofia; Gil, João; Miller, John B; Marques, Marco; Mesquita, Tânia; Kim, Ivana K; Cachulo, Maria da Luz; Vavvas, Demetrios; Carreira, Isabel M; Murta, Joaquim N; Silva, Rufino; Miller, Joan W; Husain, Deeba; Gil, Ana M

    2017-01-01

    To differentiate the plasma metabolomic profile of patients with age related macular degeneration (AMD) from that of controls, by Nuclear Magnetic Resonance (NMR) spectroscopy. Two cohorts (total of 396 subjects) representative of central Portugal and Boston, USA phenotypes were studied. For each cohort, subjects were grouped according to AMD stage (early, intermediate and late). Multivariate analysis of plasma NMR spectra was performed, followed by signal integration and univariate analysis. Small changes were detected in the levels of some amino acids, organic acids, dimethyl sulfone and specific lipid moieties, thus providing some biochemical information on the disease. The possible confounding effects of gender, smoking history and age were assessed in each cohort and found to be minimal when compared to that of the disease. A similar observation was noted in relation to age-related comorbidities. Furthermore, partially distinct putative AMD metabolite fingerprints were noted for the two cohorts studied, reflecting the importance of nutritional and other lifestyle habits in determining AMD metabolic response and potential biomarker fingerprints. Notably, some of the metabolite changes detected were noted as potentially differentiating controls from patients diagnosed with early AMD. For the first time, this study showed metabolite changes in the plasma of patients with AMD as compared to controls, using NMR. Geographical origins were seen to affect AMD patients´ metabolic profile and some metabolites were found to be valuable in potentially differentiating controls from early stage AMD patients. Metabolomics has the potential of identifying biomarkers for AMD, and further work in this area is warranted.

  13. 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.

  14. A sex-specific metabolite identified in a marine invertebrate utilizing phosphorus-31 nuclear magnetic resonance.

    Directory of Open Access Journals (Sweden)

    Robert A Kleps

    Full Text Available Hormone level differences are generally accepted as the primary cause for sexual dimorphism in animal and human development. Levels of low molecular weight metabolites also differ between men and women in circulating amino acids, lipids and carbohydrates and within brain tissue. While investigating the metabolism of blue crab tissues using Phosphorus-31 Nuclear Magnetic Resonance, we discovered that only the male blue crab (Callinectes sapidus contained a phosphorus compound with a chemical shift well separated from the expected phosphate compounds. Spectra obtained from male gills were readily differentiated from female gill spectra. Analysis from six years of data from male and female crabs documented that the sex-specificity of this metabolite was normal for this species. Microscopic analysis of male and female gills found no differences in their gill anatomy or the presence of parasites or bacteria that might produce this phosphorus compound. Analysis of a rare gynandromorph blue crab (laterally, half male and half female proved that this sex-specificity was an intrinsic biochemical process and was not caused by any variations in the diet or habitat of male versus female crabs. The existence of a sex-specific metabolite is a previously unrecognized, but potentially significant biochemical phenomenon. An entire enzyme system has been synthesized and activated only in one sex. Unless blue crabs are a unique species, sex-specific metabolites are likely to be present in other animals. Would the presence or absence of a sex-specific metabolite affect an animal's development, anatomy and biochemistry?

  15. Structures of peptide families by nuclear magnetic resonance spectroscopy and distance geometry

    Energy Technology Data Exchange (ETDEWEB)

    Pease, J.H.

    1989-12-01

    The three dimensional structures of several small peptides were determined using a combination of {sup 1}H nuclear magnetic resonance (NMR) and distance geometry calculations. These techniques were found to be particularly helpful for analyzing structural differences between related peptides since all of the peptides' {sup 1}H NMR spectra are very similar. The structures of peptides from two separate classes are presented. Peptides in the first class are related to apamin, an 18 amino acid peptide toxin from honey bee venom. The {sup 1}H NMR assignments and secondary structure determination of apamin were done previously. Quantitative NMR measurements and distance geometry calculations were done to calculate apamin's three dimensional structure. Peptides in the second class are 48 amino acid toxins from the sea anemone Radianthus paumotensis. The {sup 1}H NMR assignments of toxin II were done previously. The {sup 1}H NMR assignments of toxin III and the distance geometry calculations for both peptides are presented.

  16. Rapid quantitation of lipid in microalgae by time-domain nuclear magnetic resonance.

    Science.gov (United States)

    Gao, Chunfang; Xiong, Wei; Zhang, Yiliang; Yuan, Wenqiao; Wu, Qingyu

    2008-12-01

    A specific strain of Chlorella protothecoides has been studied in heterotrophic fermentation for increasing cell growth rate and lipid content for biodiesel production. For optimizing the process of fermentation to reduce costs of alga-based biodiesel production, rapid determination of lipid content in microalgal cells is critical. Nile Red (NR) staining and time-domain nuclear magnetic resonance (TD-NMR) have been investigated to quantitate the lipid content in C. protothecoides. Both methods were found feasible and simpler than gravimetric methods that are commonly employed. The TD-NMR method showed better agreement (R(2)=0.9973) with the measured values from lipid extraction experiments than the NR staining method (R(2)=0.9067). Additionally, the smaller standard deviations of the samples (< or =0.36) analyzed by TD-NMR revealed that the method is accurate and reproducible. The application of TD-NMR for lipid quantitation in C. protothecoides opens up the possibility of determining lipid content in algal fermentation precisely and quickly.

  17. High-throughput nuclear magnetic resonance metabolomic footprinting for tissue engineering.

    Science.gov (United States)

    Seagle, Christopher; Christie, Megan A; Winnike, Jason H; McClelland, Randall E; Ludlow, John W; O'Connell, Thomas M; Gamcsik, Michael P; MacDonald, Jeffrey M

    2008-06-01

    We report a high-throughput (HTP) nuclear magnetic resonance (NMR) method for analysis of media components and a metabolic schematic to help easily interpret the data. Spin-lattice relaxation values and concentrations were measured for 19 components and 2 internal referencing agents in pure and 2-day conditioned, hormonally defined media from a 3-dimensional (3D) multicoaxial human bioartificial liver (BAL). The (1)H NMR spectral signal-to-noise ratio is 21 for 0.16 mM alanine in medium and is obtained in 12 min using a 400 MHz NMR spectrometer. For comparison, 2D gel cultures and 3D multicoaxial BALs were batch cultured, with medium changed every day for 15 days after inoculation with human liver cells in Matrigel-collagen type 1 gels. Glutamine consumption was higher by day 8 in the BAL than in 2D culture; lactate production was lower through the 15-day culture period. Alanine was the primary amino acid produced and tracked with lactate or urea production. Glucose and pyruvate consumption were similar in the BAL and 2D cultures. NMR analysis permits quality assurance of the bioreactor by identifying contaminants. Ethanol was observed because of a bioreactor membrane "wetting" procedure. A biochemical scheme is presented illustrating bioreactor metabolomic footprint results and demonstrating how this can be translated to modify bioreactor operational parameters or quality assurance issues.

  18. 31P nuclear magnetic resonance studies of HeLa cells.

    Science.gov (United States)

    Evans, F E; Kaplan, N O

    1977-11-01

    A survey of phosphorus compounds present in HeLa cells and their acid extracts has been carried out by (31)P nuclear magnetic resonance spectroscopy at 40 MHz. The proton decoupled (31)P spectrum of the neutralized extract had resolution adequate to enable the identification of the main phosphate compounds. The spectral intensities were converted to concentrations. The lower detection limit with extensive signal averaging was 0.02 mumol for the extract. The composition, listed in order of decreasing concentration, was: inorganic phosphate, ATP, phosphorylcholine, creatine phosphate, UTP, NAD(+), glucose 6-phosphate, beta-D-fructose 1,6-bisphosphate, alpha-D-fructose 1,6-bisphosphate, ADP, alpha-glycerophosphorylcholine, and alpha-glycerophosphorylethanolamine. UTP made up (1/5) of the total nucleotide triphosphate content. The composition was compared to the (31)P spectrum of an extract from a human astrocytoma grown in athymic mice. The signal from P-containing macromolecules such as nucleic acids was not detected in the intact HeLa cell spectrum because of broad lines. Effects of the glycolysis inhibitor iodoacetic acid could be clearly shown in spectra of both the intact cell and the extract as buildup of fructose 1,6-bisphosphate at the expense of ATP, UTP, and creatine phosphate.

  19. Absolute quantitative analysis for sorbic acid in processed foods using proton nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Ohtsuki, Takashi; Sato, Kyoko; Sugimoto, Naoki; Akiyama, Hiroshi; Kawamura, Yoko

    2012-07-13

    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. Copyright © 2012 Elsevier B.V. All rights reserved.

  20. Probing the pore space of geothermal reservoir sandstones by nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Frosch, George P.; Althaus, Egon [Karlsruhe Univ., Mineralogisches Inst., Karlsruhe (Germany); Tillich, Joachim E.; Haselmeier, Ralf; Holz, Manfred [Karlsruhe Univ., Inst. fuer Physikalische Chemie, Karlsruhe (Germany)

    2000-12-01

    Pulsed-Field-Gradient-Nuclear Magnetic Resonance (PFG-NMR) is an interesting method to determine microscopic but volumetrically averaged properties of pore space. In the present paper a number of sandstone samples, taken from drill cores of geothermal wells in North Germany, have been investigated. The time-dependent self-diffusion of water molecules in their confined geometry is used to probe the pore space. The short-time behaviour of the self-diffusion coefficient (anomalous diffusion) in the porous matrix allows the determination of the surface-to-pore volume ratio S/V{sub p}. At long diffusion times, molecules scout the tortuosity of the interconnected pore space of the sandstones. The NMR results were compared with data from petrographic image analysis (PIA), adsorption experiments and electric conductivity measurements. The PGF-NMR measurements give surface-to-pore volume ratios S/V{sub p} that are comparable to those estimated with the petrographic image analysis. The tortuosities match in most cases data from conductivity measurements, so the PFG-NMR is regarded as an appropriate tool to determine this quantity. The results are not influenced by the adherence of 'scout-molecules' to the pore walls. The surface-to-pore volume ratios and tortuosities were used to calculate permeabilities of the systems of interest, which were in good agreement with measured core-plug permeabilities. Results of additional NMR relaxation experiments are used to obtain adsorption isotherms for cations at active surface sites. (Author)

  1. Quantitative Determination and Validation of Metformin Hydrochloride in Pharmaceutical Using Quantitative Nuclear Magnetic Resonance Spectroscopy

    Directory of Open Access Journals (Sweden)

    H. H. Gadape

    2011-01-01

    Full Text Available Rapid, specific and accurate proton nuclear magnetic resonance spectroscopy (1H NMR method was developed to determine metformin hydrochloride antidiabetic drug in pharmaceutical tablet formulation. The method was based on quantitative NMR spectroscopy (qNMR using maleic acid as an internal standard and deuterium oxide (D2O as a diluent. For the quantification of the drug, the (1H NMR signals at 2.91 ppm and 6.25 ppm corresponding to the analyte proton of metformin hydrochloride and maleic acid internal reference standard (IS respectively were used. The method was validated for the parameters of specificity and selectivity, precision and intermediate precision, linearity, range, limit of detection (LOD and limit of quantification (LOQ, accuracy, solution stability and robustness. The linearity of the calibration curve for analyte in the desired concentration range was good (R2=0.9993. The method was accurate and precise with good recoveries. Range study was also performed up to saturation level (152.67 mg/0.60 mL in D2O. The advantage of the method is that no reference standard of analyte drug is required for quantification. The method is nondestructive and can be applied for quantification of metformin hydrochloride in commercial formulation products.

  2. Nuclear magnetic resonance water relaxation time changes in bananas during ripening: a new mechanism.

    Science.gov (United States)

    Ribeiro, Fayene Zeferino; Marconcini, Lucinéia Vizzotto; de Toledo, Ingrid Bertoni; de Vasconcellos Azeredo, Rodrigo Bagueira; Barbosa, Lucio Leonel; Colnago, Luiz Alberto

    2010-09-01

    Nuclear magnetic resonance studies of banana fragments during ripening show an increase on the water transverse relaxation time (T2) and a decrease in water self-diffusion coefficient (D). As T(2) and D are normally directly correlated, we studied these two properties in intact bananas during ripening, in an attempt to rule out the effect of injury on the apparent discrepancies in the behavior of T(2) and D. The results show that injury in bananas causes a decrease in T2 of the water in vacuoles (T(2vac)). They also show that T(2vac) increased and D decreased during ripening, ruling out the injury effect. To explain the apparent discrepancies, we propose a new hypothesis for the increase in T2 values, based on the reduction of Fe3+ ions to Fe2+ by galacturonic acid, produced by the hydrolysis of pectin and a decrease in internal oxygen concentration during ripening. As injury alters T2 values it is necessary to use intact bananas to study relaxation times during ripening. The novel interpretation for the increase in T(2vac) based on reduction of Fe+3 and O2 concentration is an alternative mechanism to that based on the hydrolysis of starch in amyloplasts. Copyright 2010 Society of Chemical Industry.

  3. NMR-DMF: a modular nuclear magnetic resonance-digital microfluidics system for biological assays.

    Science.gov (United States)

    Lei, Ka-Meng; Mak, Pui-In; Law, Man-Kay; Martins, Rui P

    2014-12-07

    We present a modular nuclear magnetic resonance-digital microfluidics (NMR-DMF) system as a portable diagnostic platform for miniaturized biological assays. With increasing number of combinations between designed probes and a specific target, NMR has become an accurate and rapid assay tool, which is capable of detecting particular kinds of proteins, DNAs, bacteria and cells with a customized probe quantitatively. Traditional sample operation (e.g., manipulation and mixing) relied heavily on human efforts. We herein propose a modular NMR-DMF system to allow the electronic automation of multi-step reaction-screening protocols. A figure-8 shaped coil is proposed to enlarge the usable inner space of a portable magnet by 4.16 times, generating a radio frequency (RF) excitation field in the planar direction. By electronically managing the electro-wetting-on-dielectric (EWOD) effects over an electrode array, preloaded droplets with the inclusion of biological constituents and targets can be programmed to mix and be guided to the detection site (3.5 × 3.5 mm(2)) for high-sensitivity NMR screening (static B field: 0.46 T, RF field: 1.43 mT per ampere), with the result (voltage signal) displayed in real-time. To show the system's utility, automated real-time identification of 100 pM of avidin in a 14 μL droplet was achieved. The system shows promise as a robust and portable diagnostic device for a wide variety of biological analyses and screening applications.

  4. Understanding generalized inversions of nuclear magnetic resonance transverse relaxation time in porous media

    Science.gov (United States)

    Mitchell, J.; Chandrasekera, T. C.

    2014-12-01

    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 -ant_e^k (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.

  5. Nuclear magnetic resonance relaxation and diffusion measurements as a proxy for soil properties

    Science.gov (United States)

    Duschl, Markus; Pohlmeier, Andreas; Galvosas, Petrik; Vereecken, Harry

    2013-04-01

    Nuclear Magnetic Resonance (NMR) relaxation and NMR diffusion measurements are two of a series of fast and non-invasive NMR applications widely used e.g. as well logging tools in petroleum exploration [1]. For experiments with water, NMR relaxation measures the relaxation behaviour of former excited water molecules, and NMR diffusion evaluates the self-diffusion of water. Applied in porous media, both relaxation and diffusion measurements depend on intrinsic properties of the media like pore size distribution, connectivity and tortuosity of the pores, and water saturation [2, 3]. Thus, NMR can be used to characterise the pore space of porous media not only in consolidated sediments but also in soil. The physical principle behind is the relaxation of water molecules in an external magnetic field after excitation. In porous media water molecules in a surface layer of the pores relax faster than the molecules in bulk water because of interactions with the pore wall. Thus, the relaxation in smaller pores is generally faster than in bigger pores resulting in a relaxation time distribution for porous media with a range of pore sizes like soil [4]. In NMR diffusion experiments, there is an additional encoding of water molecules by application of a magnetic field gradient. Subsequent storage of the magnetization and decoding enables the determination of the mean square displacement and therefore of the self-diffusion of the water molecules [5]. Employing various relaxation and diffusion experiments, we get a measure of the surface to volume ratio of the pores and the tortuosity of the media. In this work, we show the characterisation of a set of sand and soil samples covering a wide range of textural classes by NMR methods. Relaxation times were monitored by the Carr-Purcell-Meiboom-Gill sequence and analysed using inverse Laplace transformation. Apparent self-diffusion constants were detected by a 13-intervall pulse sequence and variation of the storage time. We

  6. 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.)

  7. Structural and Quantitative Analysis of Three C-Glycosylflavones by Variable Temperature Proton Quantitative Nuclear Magnetic Resonance

    Directory of Open Access Journals (Sweden)

    Jing Liu

    2017-01-01

    Full Text Available Quantitative nuclear magnetic resonance is a powerful tool in drug analysis because of its speed, precision, and efficiency. In present study, the application of variable temperature proton quantitative nuclear magnetic resonance (VT-1H-qNMR for the calibration of three C-glycosylflavones including orientin, isoorientin, and schaftoside as reference substances was reported. Since there was conformational equilibrium due to the restricted rotation around the C(sp3-C(sp2 bond in C-glycosylflavones, the conformational behaviors were investigated by VT-NMR and verified by molecular mechanics (MM calculation. The VT-1H-qNMR method was validated including the linearity, limit of quantification, precision, and stability. The results were consistent with those obtained from mass balance approach. VT-1H-qNMR can be deployed as an effective tool in analyzing C-glycosylflavones.

  8. 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.

  9. 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

  10. One-dimensional and two-dimensional nuclear magnetic resonance studies of the reaction of phenyldichloroarsine with glutathione

    Energy Technology Data Exchange (ETDEWEB)

    Dill, K.; Adams, E.R.; O' Connor, R.J.; Chong, S.; McGown, E.L.

    1987-09-01

    /sup 14/C-labeled phenyldichloroarsine (PDA) enters the red blood cell and forms a 1:2 adduct with intracellular glutathione. Upon gel filtration of the hemolysate, (/sup 14/C)PDA was recovered with the glutathione-containing fractions. One-dimensional and two-dimensional nuclear magnetic resonance spectroscopy were used to confirm the structure of the adduct and elucidate its stereochemistry, stability, and reactivity.

  11. Examination of funnel chests by X-ray and nuclear magnetic resonance tomography: First results and experiences

    Energy Technology Data Exchange (ETDEWEB)

    Raithel, H.J.; Hartung, M.; Gruennewig, B.; Willital, G.

    1983-01-01

    Funnel chest (pectus excavatum) is a congenital malformation of the thorax. Operative correction must presently be regarded as the treatment of choise. In addition to cosmetical and psychological reasons, there are mainly functional aspects justifying a surgery. The indication for surgery results mostly from the objective clinical-diagnostical findings. This article describes the efficiency of both X-ray computerized tomography and also nuclear magnetic resonance tomography (NMR-CAT) which has only recently been introduced to clinical diagnostics.

  12. Fatty acid distribution in systems modeling the normal and diabetic human circulation. A 13C nuclear magnetic resonance study.

    OpenAIRE

    Cistola, D P; Small, D. M.

    1991-01-01

    A nonperturbing 13C nuclear magnetic resonance (NMR) method was used to monitor the equilibrium distribution of carboxyl 13C-enriched fatty acids (FA) between distinct binding sites on human serum albumin, native human lipoproteins, and/or phospholipid model membranes, under conditions that mimic the normal and diabetic human circulation. Two variables pertinent to the diabetic circulation were examined: FA/albumin mole ratio (as elevated in insulin deficiency and/or nephrosis) and pH (as dec...

  13. 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. %)

  14. Magnetic moment of Ag-104(m) and the hyperfine magnetic field of Ag in Fe using nuclear magnetic resonance on oriented nuclei

    CERN Document Server

    Golovko, V.V.; Phalet, T.; Delaure, B.; Beck, M.; Kozlov, V.Yu.; Coeck, S.; Wauters, F.; Herzog, P.; Tramm, Ch.; Zakoucky, D.; Venos, D.; Srnka, D.; Honusek, M.; Koster, U.; Severijns, N.

    2010-01-01

    Nuclear magnetic resonance (NMR/ON) measurements with beta- and gamma-ray detection have been performed on oriented Ag-104(g,m) nuclei with the NICOLE He-3-He-4 dilution refrigerator setup at ISOLDE/CERN. For Ag-104(g) (I-pi = 5(+)) the gamma-NMR/ON resonance signal was found at nu = 266.70(5) MHz. Combining this result with the known magnetic moment for this isotope, the magnetic hyperfine field of Ag impurities in an Fe host at low temperature (< 1 K) is found to be vertical bar B-hf(AgFe)vertical bar = 44.709(35) T. A detailed analysis of other relevant data available in the literature yields three more values for this hyperfine field. Averaging all four values yields a new and precise value for the hyperfine field of Ag in Fe; that is, vertical bar B-hf(AgFe)vertical bar = 44.692(30) T. For Ag-104(m) (I-pi = 2(+)), the anisotropy of the beta particles provided the NMR/ON resonance signal at nu = 627.7(4) MHz. Using the new value for the hyperfine field of Ag in Fe, this frequency corresponds to the mag...

  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

  16. 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

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

    Directory of Open Access Journals (Sweden)

    Wang, Xiaoxiao

    2016-06-01

    Full Text Available 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 four peaks representative of a preponderance of small pores. After 50, 100, 150, and 200 freeze-thaw cycles, the total area of the T2 spectrum and the porosity increased significantly. The MRI presented the changing spatial distribution of pores within the LWC during freeze-thaw cycling. Ultrasonic testing technology was applied simultaneously to analyze the NMR results, which verified that the new NMR technology demonstrated high accuracy and practicability for research regarding freeze-thaw concrete damage.En este trabajo se analiza la propagación de los daños que se producen en la estructura porosa de hormigón aligerado a base de piedra pómez natural sometido a la acción cíclica de hielo-deshielo. Después de realizarse los ensayos de hielo-deshielo, el hormigón se analizó mediante resonancia magnética nuclear (RMN, determinándose la porosidad y la distribución del tiempo de relajación transversal, T2, y registrándose las imágenes captadas por resonancia magnética. De acuerdo con los resultados obtenidos, antes de los ciclos de hielo-deshielo la distribución de T2 del hormigón aligerado presentaba cuatro picos, indicativos de un predominio de poros pequeños. Después de que se sometiera a 50, 100, 150, y 200 ciclos, se observó un aumento importante tanto de la porosidad como de la superficie total del espectro de T2. Las imágenes captadas por resonancia magnética evidenciaron la modificación de la distribución espacial de los poros del

  18. 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.

  19. 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.

  20. [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.

  1. Examination of cucurbit[7]uril and its host-guest complexes by diffusion nuclear magnetic resonance.

    Science.gov (United States)

    Wheate, Nial J; Kumar, P G Anil; Torres, Allan M; Aldrich-Wright, Janice R; Price, William S

    2008-02-28

    The self-diffusion of cucurbit[7]uril (CB[7]) and its host-guest complexes in D2O has been examined using pulsed gradient spin-echo nuclear magnetic resonance spectroscopy. CB[7] diffuses freely at a concentration of 2 mM with a diffusion coefficient (D) of 3.07 x 10(-10) m(2) s(-1). At saturation (3.7 mM), CB[7] diffuses more slowly (D = 2.82 x 10(-10) m(2) s(-1)) indicating that it partially self-associates. At concentrations between 2 and 200 mM, CsCl has no effect on the diffusion coefficient of CB[7] (1 mM). Conversely, CB[7] (2 mM) significantly affects the diffusion of 133Cs+ (1 mM), decreasing its diffusion coefficient from 1.86 to 0.83 x 10(-9) m(2) s(-1). Similar changes in the rate of diffusion of other alkali earth metal cations are observed upon the addition of CB[7]. The diffusion coefficient of 23Na+ changes from 1.26 to 0.90 x 10(-9) m(2) s(-1) and 7Li+ changes from 3.40 to 3.07 x 10(-9) m(2) s(-1). In most cases, encapsulation of a variety of inorganic and organic guests within CB[7] decreases their rates of diffusion in D2O. For instance, the diffusion coefficient of the dinuclear platinum complex trans-[[PtCl(NH3)2}2mu-dpzm](2+) (where dpzm is 4,4'-dipyrazolylmethane) decreases from 4.88 to 2.95 x 10(-10) m(2) s(-1) upon encapsulation with an equimolar concentration of CB[7].

  2. 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.

  3. Dynamics of asymmetric binary glass formers. I. A dielectric and nuclear magnetic resonance spectroscopy study.

    Science.gov (United States)

    Kahlau, R; Bock, D; Schmidtke, B; Rössler, E A

    2014-01-28

    Dielectric spectroscopy as well as (2)H and (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-d3) in the full concentration (cTPP) range. In addition, depolarized light scattering and differential scanning calorimetry experiments are performed. Two glass transition temperatures are found: Tg 1(cTPP) reflects PS dynamics and shows a monotonic plasticizer effect, while the lower Tg 2(cTPP) 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 (α2-process), the other (α1-process) displays time constants identical with those of the slow PS matrix. Upon heating the α1-fraction of TPP decreases until above some temperature Tc only a single α2-population exists. Inversely, below Tc a fraction of the TPP molecules is trapped by the PS matrix. At low cTPP the α2-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 α2-relaxation resembles a secondary process. Yet, (31)P NMR demonstrates that it involves isotropic reorientations of TPP molecules within a slowly moving or rigid matrix of PS. At high cTPP the super-Arrhenius temperature dependence of τ2(T), as well as FTS are recovered, known as typical of the glass transition in neat systems.

  4. 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.

  5. Mapping Groundwater in an Alpine Drainage with Airborne Electromagnetic Methods and Nuclear Magnetic Resonance

    Science.gov (United States)

    Hein, A.; Armstrong, R. S.; Holbrook, W. S.; Parsekian, A.

    2015-12-01

    The rivers that supply water to most of the West rise in the Rocky Mountains. As drought increases across the country, understanding the hydrology of these alpine regions becomes important to assuring water supplies in the future. Near surface geophysics can help in this effort. In this study, resistivity data from an airborne electromagnetic survey in the Snowy Range was analyzed to map groundwater distribution. The EM survey covered an area of approximately 60 km2 to a depth of around 150 m. Nuclear magnetic resonance (NMR) point soundings provided ground truthing by testing whether water was present, at what depth, and how much. The survey area contained vertically dipping metasedimentary rocks, covered in places by unconsolidated glacial and fluvial deposits. The resistivity data showed horizontal variation in water content much more clearly than vertical changes, which were best detected by NMR. To allow for comparisons across different lithologies and depths, resistivity measurements were first log transformed to produce a more normal distribution, then classed by depth and formation and assigned standardized scores using the mean and standard deviation for those classes. To determine the typical appearance of wet areas, points in the near surface were classed as wet or dry based on proximity to surface water. Logistic regression was used to determine the probability that points with a given standardized score were wet. Where a relationship existed between proximity to surface water and conductivity, this information was translated into a map of groundwater distribution at greater depths. NMR soundings provided quantitative measurements of water content, which were used as known points within these horizontal maps to determine the actual water levels being detected.

  6. Permeability estimation using nuclear magnetic resonance (NMR) and lateral logs in fractured tight sandstones

    Science.gov (United States)

    Qin, Z.

    2016-12-01

    Permeability of fracture-matrix system is an important but difficult to estimate parameter in evaluation and production in fractured tight sandstone reservoirs. Because nuclear magnetic resonance (NMR) logs cannot indicate fracture permeability, NMR can be used to obtain accurate matrix permeability in fractured tight sandstones. Considering lateral logs can be used to identify and evaluate fracture, thus the fracture permeability can be estimated using lateral logs. In the interval without fracture, the permeability of fracture-matrix system is equal to the matrix permeability; while in the only fracture permeable interval, it is equal to the fracture permeability. Considering the obtained matrix permeability from NMR logs may include the contribution of fracture porosity in fractured tight sandstones, the estimated matrix permeability and estimated fracture permeability have overlap. Thus the permeability of fracture-matrix system is not a simple summation of the estimated fracture permeability and the estimated matrix permeability. A new method is proposed to obtain consecutive permeability in fractured tight sandstones. In the method, we believe that the obtained fracture permeability from lateral logs contains the actual fracture permeability and the fracture porosity permeability, which is contributed from the fracture porosity in rock. After calculating fracture width by using the Faivre-Sibbit (F-S) model, the fracture porosity can be estimated. Based on the hydraulic flow unit (HFU) approach, the fracture porosity permeability can be calculated, and then the actual fracture permeability can be obtained. Thus the Permeability of fracture-matrix system is the summation of actual fracture permeability and the estimated matrix permeability. Compared with the simple summation in the field example, the method can be used to obtain more reliable permeability of fracture-matrix system.

  7. 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.

  8. 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. Copyright © 2015 Elsevier Inc. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bolo, Nicolas Robin [Univ. of California, Berkeley, CA (United States)

    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. 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.

  10. Clinical application of nuclear magnetic resonance imaging (resistive type) on cardiovascular disease

    Energy Technology Data Exchange (ETDEWEB)

    Imai, Hitoshi; Yoshida, Katsuya; Watanabe, Shigeru; Masuda, Yoshiaki; Inagaki, Yoshiaki; Ikehira, Hiroo; Fukuda, Nobuo; Tateno, Yukio

    1984-12-01

    In order to evaluate the usefulness of Nuclear Magnetic Resonance (NMR) imaging in diagnosing cardiovascular disease, 27 subjects were examined using a 0.1-Tesla resistive type (ASAHI MARK-J). In 10 normal subjects, four cardiac chambers, interventricular septum, aorta, pulmonary vessels and vena cava were clearly identified in NMR imaging. In two patients with old anteroseptal myocardial infarction, anteroseptal wall thinning and left ventricular aneurysm with mural thrombi were demonstrated. In two cases of antrolateral and posterolateral myocardial infarction, however, infarcted areas were not identified in NMR imaging. In one patient with congestive cardiomyopathy, enlarged left ventricle without hypertrophy was recognized. In two patients with hypertrophic obstructive cardiomyopathy, NMR imaging disclosed thickened left ventricular wall associated with its narrowed cavity. A mural thrombus in the right ventricle was distinctly visualized in one patient with cardio-vascular Behcet's disease. In two patients with mitral valve stenosis, enlarged left atrium with a mural thrombus was clearly demonstrated in both cross and longitudinal sections. In three patients with thoratic aortic aneurysm, local dilatation of aorta and mural thrombi were recognized. In four patients with dissecting aortic aneurysm, double channels with an intimal flap in the aorta were visualized in NMR imaging. Mean T/sub 1/ values and standard deviations of left ventricle, left ventricular wall, and thrombi were 593 +- 89, 341 +- 20, 316 +- 84 msec, respectively. Mean T/sub 1/ values of thrombi were ordinally shorter than those of left ventricule. But some thrombi which might be expected fresh had longer T/sub 1/ values. (J.P.N.).

  11. 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

  12. Interaction between lidocaine hydrochloride (with and without adrenaline) and various irrigants: A nuclear magnetic resonance analysis

    Science.gov (United States)

    Vidhya, Nirmal; Karthikeyan, Balasubramanian Saravana; Velmurugan, Natanasabapathy; Abarajithan, Mohan; Nithyanandan, Sivasankaran

    2014-01-01

    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 compound

  13. 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

  14. 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.

  15. 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.

  16. 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

  17. Evaluation of poly(vinylpyrrolidone) and collagen by Low Field Nuclear Magnetic Resonance Spectroscopy; Avaliacao da polivinilpirrolidona e do colageno por ressonancia magnetica nuclear de baixo campo

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Paula de M.; Tavares, Maria I.B. [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Macromoleculas Professora Eloisa Mano]. E-mail: pmcosta@ima.ufrj.br

    2005-07-01

    Blends of natural and synthetic polymers represent a new class of materials with better mechanical properties and biocompatibility than those of the single components. Collagen and poly(vinylpyrrolidone) are well known for their important biological properties. The blending of collagen with poly(vinylpyrrolidone) makes it possible to obtain new materials in which strong interactions between the synthetic and biological components occur. Do to the excellent biocompatibility of these polymers, this blend has been much studied intending biomedical applications. And a one technique that can provide important information on molecular mobility, compatibility and even evaluate the interactions that can occur with these polymers is the Low Field Nuclear Magnetic Resonance Spectroscopy. Thus, the purpose of this work is to evaluate collagen and poly(vinylpyrrolidone) by Low Field Nuclear Magnetic Resonance Spectroscopy. From the values of relaxation times obtained, we can conclude that these materials have different interactions, and different mobility domains, confirming the heterogeneity and complexity of these materials. (author)

  18. Characterization of water distribution in xanthan-curdlan hydrogel complex using magnetic resonance imaging, nuclear magnetic resonance relaxometry, rheology, and scanning electron microscopy.

    Science.gov (United States)

    Williams, Patrick D; Oztop, Mecit Halil; McCarthy, Michael J; McCarthy, Kathryn L; Lo, Y Martin

    2011-08-01

    Xanthan-curdlan hydrogel complex (XCHC) has been shown capable of retaining moisture up to 5 freeze-thaw cycles (FTCs); however, moisture distribution in the complex in relation to the hydrogel composition and structure remains uncharacterized. In the present study, magnetic resonance imaging (MRI), nuclear magnetic resonance (NMR) relaxometry, rheology, and scanning electron microscopy (SEM) were used to examine the effect of water distribution and interaction with 2.0% aqueous solutions of xanthan, curdlan, and XCHC consisting of equal amounts of both polysaccharides. A gel structure with an indication of syneresis was clearly seen in the MR image of curdlan alone, whereas the distribution of protons throughout xanthan and XCHC samples remained homogeneous and showed no detectable syneresis. The three-dimensional network, indicated by frequency sweeps, of curdlan was responsible for curdlan's gel structure. The frequency sweep and slope of the storage modulus (G') of XCHC was significantly closer to curdlan with higher elasticity and less dependency upon angular frequency than xanthan alone. The reduction in XCHC dynamic moduli (G' and G″) compared to curdlan could be attributed to the formation of wavy layers instead of a fully cured three-dimensional structure. Addition of xanthan to curdlan restricted XCHC spin-spin relaxation time (T₂) to intermediate and slower exchange regimes, namely approximately 110 and 342 ms, respectively, promoting the polymer's interaction with water while inhibiting interpolymer interactions found in curdlan. A 3rd proton pool with the slowest T₂ seen in curdlan was not found in XCHC, correlating to the absence of syneresis. The combination of texture measurements and discrete noninvasive techniques was found capable of providing insightful understanding of water distribution in a gel system. These techniques may be applied to other hydrogel complexes. The XCHC system investigated has the potential to enhance freeze

  19. Contribution to the study of nuclear resonance in magnetic media (1963); Contribution a l'etude de la resonance nucleaire dans les milieux magnetique (1963)

    Energy Technology Data Exchange (ETDEWEB)

    Hartmann-Boutron, F. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1963-06-15

    An attempt is made to interpret the results of nuclear magnetic resonance experiments made by various workers on ferro and ferrimagnetic compounds of the iron group. The problems encountered are the following: effects of the dipolar fields and the hyperfine structure anisotropy; signal intensity; frequency pulling due to the Suhl-Nakamura interaction between nuclear spins ; nuclear relaxation and ferrimagnetic resonance in single domain samples of impure YIG; nuclear relaxation in the Bloch walls of insulators. The results of our calculations are generally in good agreement with experiment. (author) [French] On se propose d'interpreter les resultats d'experiences de resonance magnetique nucleaire fates par divers auteurs sur des composes ferro et ferrimagnetiques du groupe du fer. Les problemes abordes sont les suivants: effets des champs dipolaires et de l'anisotropie de structure hyperfine; intensite des signaux; deplacement de frequence du a l'interaction de Suhl-Nakamura entre spins nucleaires; relaxation nucleaire et resonance ferrimagnetique dans les echantillons monodomaines de grenat de fer et d'yttrium impur; relaxation nucleaire dans les parois de Bloch des isolants. Les resultats des calculs sont generalement en bon accord avec l'experience. (auteur)

  20. Nuclear magnetic and nuclear quadrupole resonance parameters of β-carboline derivatives calculated using density functional theory

    Science.gov (United States)

    Ahmadinejad, Neda; Tari, Mostafa Talebi

    2017-04-01

    A density functional theory (DFT) calculations using B3LYP/6-311++G( d,p) method were carried out to investigate the relative stability of the molecules of β-carboline derivatives such as harmaline, harmine, harmalol, harmane and norharmane. Calculated nuclear quadrupole resonance (NQR) parameters were used to determine the 14N nuclear quadrupole coupling constant χ, asymmetry parameter η and EFG tensor ( q zz ). For better understanding of the electronic structure of β-carboline derivatives, natural bond orbital (NBO) analysis, isotropic and anisotropic NMR chemical shieldings were calculated for 14N nuclei using GIAO method for the optimized structures. The NBO analysis shows that pyrrole ring nitrogen (N9) atom has greater tendency than pyridine ring nitrogen (N2) atom to participate in resonance interactions and aromaticity development in the all of these structures. The NMR and NQR parameters were studied in order to find the correlations between electronic structure and the structural stability of the studied molecules.

  1. 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.

  2. 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, Braunwald E, eds. Braunwald's Heart Disease: A Textbook of Cardiovascular ...

  3. 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).

  4. Contour mode resonators with acoustic reflectors

    Science.gov (United States)

    Olsson, Roy H [Albuquerque, NM; Fleming, James G [Albuquerque, NM; Tuck, Melanie R [Albuquerque, NM

    2008-06-10

    A microelectromechanical (MEM) resonator is disclosed which has a linear or ring-shaped acoustic resonator suspended above a substrate by an acoustic reflector. The acoustic resonator can be formed with a piezoelectric material (e.g. aluminum nitride, zinc oxide or PZT), or using an electrostatically-actuated material. The acoustic reflector (also termed an acoustic mirror) uses alternating sections of a relatively low acoustic impedance Z.sub.L material and a relatively high acoustic impedance Z.sub.H material to isolate the acoustic resonator from the substrate. The MEM resonator, which can be formed on a silicon substrate with conventional CMOS circuitry, has applications for forming oscillators, rf filters, and acoustic sensors.

  5. 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

  6. H Nuclear magnetic resonance based metabonomics data analysis in rheumatoid arthritis

    Directory of Open Access Journals (Sweden)

    Mohammad Arjmand

    2014-05-01

    Full Text Available Background: Rheumatoid arthritis (RA is a chronic, systematic inflammatory disorder that may affect many tissues and organs, but principally attacks synovial joints and it is a common rheumatic disease with many subtypes. Nuclear Magnetic resonance (1H NMR spectrometers with high sensitivity, resolution and dynamic range has permitted the rapid, simultaneous investigation of complex mixtures of endogenous or exogenous components present in biological materials. Metabonomics is the systematic study of chemical finger print resulted from cell reactions and could be used as a new biomarker for early disease diagnosis. In the present investigation, we studied serum metabolic profile in rheumatoid arthritis (RA in order to find out the metabolic finger print pattern of the disease. Materials and methods: In our metabonomics study serum samples were collected from 16 patients with active RA, and from equal number of healthy subjects. They were evaluated during a one-year follow-up with the assessment of disease activity and 1H NMR spectroscopy of sera samples. In all the cases, the presence of active rheumatoid arthritis was shown by an increase in the T1 values of the synovium of the joints. We specified and classified all metabolites using PCA, PLSDA chemometrics methods. Chenomx (Trail Version and ProMetab codes in Matlab software environments were used for our data analysis. Results were compared with the NMR metabolite data bank (www.metabolomics.ca. Anti-CCP, ANA and urea were also analyzed by ElISA and colorimetric methods respectively. Results: The most changes identified in this study were in the biosynthesis pathways of steroid hormones, biotin, fatty acids, amino acids (Leucine, Valin and isoleucine and also linoleic acid. Conclusion: In rheumatoid arthritis disease, the activation of the immune system consumes larg amounts of energy. The main donor of free energy in cells is ATP, which is generated by both glycolysis and oxidative

  7. Petrophysical evaluation of low-resistivity sandstone reservoirs with nuclear magnetic resonance log

    Energy Technology Data Exchange (ETDEWEB)

    Hamada, G.M.; Al-Blehed, M.S.; Al-Awad, M.N.; Al-Saddique, M.A. [Petroleum Engineering Department, College of Engineering, King Saud University, P.O. Box 800, 11421 Riyadh (Saudi Arabia)

    2001-04-01

    The combination of conventional logs, such as density, neutron and resistivity logs, is proven to be very effective in the evaluation of normal reservoirs. For low-resistivity reservoirs, however, an accurate determination of the petrophysical parameters with the conventional log reservoirs is very difficult. This paper presents two cases of low-resistivity reservoirs and low-contrast resistivity reservoirs, where conventional logs fail to determine the petrophysical properties of reservoirs, mainly, low-resistivity and low-contrast resistivity reservoirs. The problems of these reservoirs are that conventional logging interpretation shows high water saturation zones, but water-free hydrocarbon would be produced. In the case of low-resistivity contrast reservoirs, it is very hard to determine water hydrocarbon contact with resistivity logs. Nuclear magnetic resonance (NMR) has only been available as a supplementary tool to provide additional information on the producibility of the reservoir. The main limitations of NMR have been the cost and time of acquiring data. This paper shows that in the case of low-resistivity reservoirs, NMR is a very cost-effective tool and is of help in accurately determining the reservoir rock petrophysical properties. In the analysis of NMR data, several aspects of NMR technique have been used: (1) T1/T2 ratio for fluid identification, (2) the difference between NMR-derived porosity and total porosity to determine the types of clay minerals, (3) NMR relaxation properties to identify fluids composition and rock properties. This paper presents four examples of low-resistivity reservoirs. Analysis of the NMR data of low-resistivity reservoirs has helped identify the producibility of these zones, determine lithology-independent porosity and distinguish between bound and free water. For the case of low-contrast resistivity reservoir, where there was little resistivity contrast between water-bearing formation and oil-bearing formation, NMR has

  8. Quantitative nuclear magnetic resonance characterization of long-range chain dynamics: Polybutadiene, polyethylene-oxide solution

    Science.gov (United States)

    Guillermo, Armel; Cohen Addad, Jean-Pierre

    2002-02-01

    We report two sets of independent nuclear magnetic resonance (NMR) measurements of self-diffusion and proton transverse relaxation in molten cis1,4-polybutadiene (PB) performed in order to investigate chain dynamics properties. Self-diffusion coefficients were measured as a function of temperature and of molecular weight (M) over the range 104 to 6.7×104g/mol. The crossover from the Rouse-type behavior (D≈M-1) to the reptation one was found to occur for MCross≈3×104g/mol; for M>MCross the data were consistent with the scaling dependence: D≈M-2.4±0.05, in agreement with the data analysis recently reported in the literature. The thorough analysis of the transverse relaxation of protons attached to highly entangled PB chains (6.7×104⩽M⩽43×104g/mol) gave evidence for the dynamics partition of one chain into two end-submolecules and one inner part clearly discriminated from one another. The number NEnd of monomeric units in one end-submolecule, independent of M, is shown to be closely related to the monomeric friction coefficient ζ0 measured from short chain diffusion over the temperature range 25 to 85 °C. The interpretation both of diffusion results and of proton relaxation of inner monomeric units lead to the definition of an effective friction coefficient ζ0Eff≈ζ0(M/NEnd)0.4 associated with the curvilinear diffusion of one chain in its tube. The friction coefficient ζLoc associated with local monomeric rotations is discriminated from ζ0 from its weaker temperature dependence. This approach was applied to polyethylene-oxide chains in solution (dimethyl formamide, 0.18⩽c⩽1, w/w) where the segmental size of end-submolecules was found to vary as 1/c. Experimental results are well matched by this specific NMR approach which accounts for the novel properties of the proton relaxation function.

  9. 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 hydraulic

  10. Purity assessment of ginsenoside Rg1 using quantitative (1)H nuclear magnetic resonance.

    Science.gov (United States)

    Huang, Bao-Ming; Xiao, Sheng-Yuan; Chen, Ting-Bo; Xie, Ying; Luo, Pei; Liu, Liang; Zhou, Hua

    2017-05-30

    Ginseng herbs comprise a group of the most popular herbs, including Panax ginseng, P. notoginseng and P. quinquefolius (Family Araliaceae), which are used as traditional Chinese medicine (TCM) and are some of the best-selling natural products in the world. The accurate quantification of ginsenoside Rg1 is one of the major aspects of its quality control. However, the purity of the commercial Rg1 chemical reference substance (CRS) is often measured with high-performance chromatography coupled with an ultraviolet detector (HPLC-UV), which is a selective detector with unequal responses to different compounds; thus, this detector introduces probable error to purity assessments. In the present study, quantitative nuclear magnetic resonance (qNMR), due to its absolute quantification ability, was applied to accurately assess the purity of Rg1 CRS. Phenylmethyl phthalate was used as the internal standard (IS) to calibrate the purity of Rg1 CRS. The proton signal of Rg1 CRS in methanol-d4 at 4.37ppm was selected to avoid interfering signals, enabling accurate quantitative analysis. The relaxation delay, number of scans, and NMR windowing were optimized for data acquisition. For post-processing, the Lorentz/Gauss deconvolution method was employed to increase the signal accuracy by separating the impurities and noise in the integrated region of the quantitative proton. The method validation showed that the developed method has acceptable sensitivity, linearity, precision, and accuracy. The purity of the commercial Rg1 CRS examined with the method developed in this research was 90.34±0.21%, which was obviously lower than that reported by the manufacturer (>98.0%, HPLC-UV). The cross-method validation shows that the commonly used HPLC-UV, HPLC-ELSD (evaporative light scattering detector) and even LC-MS (mass spectrometry) methods provide significantly higher purity values of Rg1 CRS compared with the qNMR method, and the accuracy of these LC-based methods largely depend on the

  11. Micro-computed tomography and nuclear magnetic resonance imaging for noninvasive, live-mouse cholangiography.

    Science.gov (United States)

    Tabibian, James H; Macura, Slobodan I; O'Hara, Steven P; Fidler, Jeff L; Glockner, James F; Takahashi, Naoki; Lowe, Val J; Kemp, Bradley J; Mishra, Prasanna K; Tietz, Pamela S; Splinter, Patrick L; Trussoni, Christy E; LaRusso, Nicholas F

    2013-06-01

    The cholangiopathies are a diverse group of biliary tract disorders, many of which lack effective treatment. Murine models are an important tool for studying their pathogenesis, but existing noninvasive methods for assessing biliary disease in vivo are not optimal. Here we report our experience with using micro-computed tomography (microCT) and nuclear magnetic resonance (MR) imaging to develop a technique for live-mouse cholangiography. Using mdr2 knockout (mdr2KO, a model for primary sclerosing cholangitis (PSC)), bile duct-ligated (BDL), and normal mice, we performed in vivo: (1) microCT on a Siemens Inveon PET/CT scanner and (2) MR on a Bruker Avance 16.4 T spectrometer, using Turbo Rapid Acquisition with Relaxation Enhancement, IntraGate Fast Low Angle Shot, and Half-Fourier Acquisition Single-shot Turbo Spin Echo methods. Anesthesia was with 1.5-2.5% isoflurane. Scans were performed with and without contrast agents (iodipamide meglumine (microCT), gadoxetate disodium (MR)). Dissection and liver histology were performed for validation. With microCT, only the gallbladder and extrahepatic bile ducts were visualized despite attempts to optimize timing, route, and dose of contrast. With MR, the gallbladder, extra-, and intrahepatic bile ducts were well-visualized in mdr2KO mice; the cholangiographic appearance was similar to that of PSC (eg, multifocal strictures) and could be improved with contrast administration. In BDL mice, MR revealed cholangiographically distinct progressive dilation of the biliary tree without ductal irregularity. In normal mice, MR allowed visualization of the gallbladder and extrahepatic ducts, but only marginal visualization of the diminutive intrahepatic ducts. One mouse died during microCT and MR imaging, respectively. Both microCT and MR scans could be obtained in ≤20 min. We, therefore, demonstrate that MR cholangiography can be a useful tool for longitudinal studies of the biliary tree in live mice, whereas microCT yields

  12. 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.

  13. PARAMETERS OF NUCLEAR MAGNETIC RESONANCE IN PATIENTS WITH CONGENITAL NARROWING OF THE LUMBAR SPINAL CANAL

    Directory of Open Access Journals (Sweden)

    ELIU HAZAEL MORALES-RANGEL

    Full Text Available ABSTRACT Objective: To compare the morphological parameters of magnetic resonance in patients with congenital narrowing of the lumbar spinal canal with patients with low back pain. Methods: A descriptive, retrospective, observational study was conducted with measurements in the axial and sagittal magnetic resonance sections of the vertebral body and canal of the lumbar spine of 64 patients with diagnosis of low back pain, which were compared with resonance images taken from 31 Mexican patients with congenital narrowing of the lumbar spinal canal. Results: The results show that patients with congenital narrowing of the lumbar spinal canal in the axial sections have a difference in diameters, being L2<13.9 mm, L3<13.3 mm, L4<12.9 mm, L5<13.1 mm, compared with controls L2<20.5 mm, L3<20.5 mm, L4<19.3 mm, L5<18.1 mm with p = 0.000. Conclusions: We found different measurements in the Mexican population compared to those found by similar studies. With the parameters obtained, it would be possible to make the proper diagnosis, surgical planning, and treatment.

  14. Nuclear magnetic resonance at up to 10.1 GPa pressure detects an electronic topological transition in aluminum metal.

    Science.gov (United States)

    Meissner, Thomas; Goh, Swee K; Haase, Jürgen; Richter, Manuel; Koepernik, Klaus; Eschrig, Helmut

    2014-01-08

    High-sensitivity (27)Al nuclear magnetic resonance (NMR) measurements of aluminum metal under hydrostatic pressure of up to 10.1 GPa reveal an unexpected negative curvature in the pressure dependence of the electronic density of states measured through shift and relaxation, which violates free electron behavior. A careful analysis of the Fermiology of aluminum shows that pressure induces an electronic topological transition (Lifshitz transition) that is responsible for the measured change in the density of states. The experiments also reveal a sudden increase in the NMR linewidth above 4.2 GPa from quadrupole interaction, which is not in agreement with the metal's cubic symmetry.

  15. 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).

  16. Small Bowel Imaging: Computed Tomography Enterography, Magnetic Resonance Enterography, Angiography, and Nuclear Medicine.

    Science.gov (United States)

    Fidler, Jeff L; Goenka, Ajit H; Fleming, Chad J; Andrews, James C

    2017-01-01

    Radiology examinations play a major role in the diagnosis, management, and surveillance of small bowel diseases and are complementary to endoscopic techniques. Computed tomography enterography and magnetic resonance enterography are the cross-sectional imaging studies of choice for many small bowel diseases. Angiography still plays an important role for catheter-directed therapies. With the emergence of hybrid imaging techniques, radionuclide imaging has shown promise for the evaluation of small bowel bleeding and Crohn disease and may play a larger role in the future. This article reviews recent advances in technology, diagnosis, and therapeutic options for selected small bowel disorders. Copyright © 2016 Elsevier Inc. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1978-06-13

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

  18. Application of Nuclear Magnetic Resonance to Detect Toxigenic Clostridium difficile from Stool Specimens: A Proof of Concept.

    Science.gov (United States)

    Yang, Paul; Hash, Sara; Park, Katherine; Wong, Charlene; Doraisamy, Loganathan; Petterson, Jonas; Petti, Cathy A; Ward, Pamela M; Lee, Seung Heon; Menon, Suresh; She, Rosemary C

    2017-03-01

    We evaluated the performance of an early prototype core molecular mirroring nuclear magnetic resonance detection platform (Mentor-100) to detect toxigenic Clostridium difficile from stool. This technology uses customized nanoparticles bound to target specific oligonucleotide probes that form binaries in the presence of nucleic acid from the target microorganism. Liquid patient stool specimens were seeded with C. difficile or other Clostridium species to determine the analytical sensitivity and specificity. Samples underwent nucleic acid extraction and target amplification with probes conjugated with iron nanoparticles. Signal from nuclear magnetic resonance spin-spin relaxation time was measured to detect the presence or absence of toxigenic C. difficile. The limit of detection was cross-reactivity was observed with nontoxigenic C. difficile, Clostridium sordellii, Clostridium perfringens, Bacillus subtilis, or Paenibacillus polymyxa at 108 colony forming units/mL. Correlation studies using frozen stool samples yielded a sensitivity of 88.4% (61 of 69) and a specificity of 87.0% (40 of 46) as compared with a commercial PCR assay for C. difficile. The area under the curve in the receiver operating characteristic curve analysis was 0.922. The prototype molecular mirroring platform showed promising performance for pathogen detection from clinical specimens. The platform design has the potential to offer a novel, low-cost alternative to currently available nucleic acid-based tests. Copyright © 2017 American Society for Investigative Pathology and the Association for Molecular Pathology. Published by Elsevier Inc. All rights reserved.

  19. Application of surface coil in nuclear magnetic resonance studies of physical properties of quasi-2D materials

    Science.gov (United States)

    Liu, Wencong; Lu, Lu; Mitrović, V. F.

    2017-11-01

    We conduct a comprehensive set of tests of performance of surface coils used for nuclear magnetic resonance (NMR) study of quasi-2-dimensional samples. We report 115In and 31P NMR measurements on InP, semi-conducting thin substrate samples. Surface coils of both zig-zag meander-line and concentric spiral geometries were used. We compare reception sensitivity and signal-to-noise ratio of the NMR signal obtained by using surface-type coils to that obtained by standard solenoid-type coils. As expected, we find that surface-type coils provide better sensitivity for NMR study of thin film samples. Moreover, we compare the reception sensitivity of different types of the surface coils. We identify the optimal geometry of the surface coils for a given application and/or direction of the applied magnetic field.

  20. New isolated gate bipolar transistor two-quadrant chopper power supply for a fast field cycling nuclear magnetic resonance spectrometer

    Science.gov (United States)

    Sousa, D. M.; Marques, G. D.; Sebastião, P. J.; Ribeiro, A. C.

    2003-10-01

    This work, presents, for the first time, an Isolated Gate Bipolar Transistor (IGBT) two-quadrant chopper power supply for a fast field cycling (FFC) nuclear magnetic resonance spectrometer. This power supply was designed to achieve a maximum current of 200 A with good efficiency, low semiconductor losses, low cost, and easy maintenance. Both energy storage circuits and dumping circuits are used to obtain switching times less than 2 ms between field levels in agreement with the FFC technique specifications. The current ripple at high currents is better than 1×10-4 and presents a specific shape which can be used for additional compensation using auxiliary circuits. The implemented power supply was tested and been continuously operating with a home-built FFC solenoidal magnet, associated cooling system, and rf units for fields between 0 and 0.2 T.

  1. 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

  2. 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...

  3. Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation.

    Science.gov (United States)

    Kutzelnigg, Werner; Liu, Wenjian

    2009-07-28

    The calculation of NMR parameters from relativistic quantum theory in a Gaussian basis expansion requires some care. While in the absence of a magnetic field the expansion in a kinetically balanced basis converges for the wave function in the mean and for the energy with any desired accuracy, this is not necessarily the case for magnetic properties. The results for the magnetizability or the nuclear magnetic shielding are not even correct in the nonrelativistic limit (nrl) if one expands the original Dirac equation in a kinetically balanced Gaussian basis. This defect disappears if one starts from the unitary transformed Dirac equation as suggested by Kutzelnigg [Phys. Rev. A 67, 032109 (2003)]. However, a new difficulty can arise instead if one applies the transformation in the presence of the magnetic field of a point nucleus. If one decomposes certain contributions, the individual terms may diverge, although their sum is regular. A controlled cancellation may become difficult and numerical instabilities can arise. Various ways exist to avoid these singularities and at the same time get the correct nrl. There are essentially three approaches intermediate between the transformed and the untransformed formulation, namely, the bispinor decomposition, the decomposition of the lower component, and the hybrid unitary transformation partially at operator and partially at matrix level. All three possibilities were first considered by Xiao et al. [J. Chem. Phys. 126, 214101 (2007)] in a different context and in a different nomenclature. Their analysis and classification in a more general context are given here for the first time. Use of an extended balanced basis has no advantages and has other drawbacks and is not competitive, while the use of a restricted magnetic balance basis can be justified.

  4. ZERO-FIELD NUCLEAR MAGNETIC RESONANCE FOR STUDY OF ANTIFERROMAGNETIC PROPERTIES OF FeF3 MATERIALS

    Directory of Open Access Journals (Sweden)

    G. R. F. Suwandi

    2016-01-01

    Full Text Available Nuclear Magnetic Resonance (NMR has been used as a research tool in many fields. In this study, the magnetic properties, especially anti-ferromagnetic properties of FeF3 materials were investigated. Zero-field custom-built NMR method was used to investigate the anti-ferromagnetic properties in the materials. Experiments have been carried out by varying the sample temperatures from 8 K to 220 K. Ordinary spin echo pulse sequence 90⁰RF–τ–180⁰RF were used. Using Fast Fourier Transform, the signals in NMR spectrum were analyzed and the peak showed the resonance frequency. The result showed that resonance frequencies decrease with increasing in temperature. The frequency of the spectrum was around 85.41 MHz in the zero-temperature limit, and this corresponds with Fe hyperfine field at zero-temperature limit was 2.14 T. The temperature dependence of the local magnetization does not fit T2 Bloch’s Law very well. Instead, it fits the exponential form having an energy gap in the dispersion relation of the spin wave. It is obtained from the result that FeF3 is antiferromagnetic materials with energy gap of 11.466 meV and anisotropy energy of 1.045 meV.Nuclear Magnetic Resonance (NMR telah banyak digunakan sebagai “research tool” pada berbagai bidang kajian di fisika. Pada studi ini, akan dilakukan eksperimen untuk menguji sifat magnetik, khususnya antiferromagnetik pada material FeF3. Telah dilakukan eksperimen dengan memvariasikan temperatur pada sampel dari 8 K hingga 220 K. Pulse sequence yang digunakan adalah 90⁰RF–τ–180⁰RF. Dengan memanfaatkan Fast Fourier Transform, sinyal echo ini dapat dianalisis dalam bentuk spektrum NMR dengan puncak spektrum menunjukkan frekuensi resonansinya. Diperoleh bahwa frekuensi resonansi akan menurun seiring dengan kenaikan temperatur. Posisi frekuensi pada temperatur 0 K adalah sebesar 85,41 MHz, hal ini memperlihatkan bahwa medan hyperfine dari Fe sebesar 2,14 T pada temperatur 0 K. Kurva

  5. Solid-state 27Al nuclear magnetic resonance investigation of three aluminum-centered dyes

    KAUST Repository

    Mroué, Kamal H.

    2010-02-01

    We report the first solid-state 27Al NMR study of three aluminum phthalocyanine dyes: aluminum phthalocyanine chloride, AlPcCl (1); aluminum-1,8,15,22-tetrakis(phenylthio)-29H,31H-phthalocyanine chloride, AlPc(SPh)4Cl (2); and aluminum-2,3-naphthalocyanine chloride, AlNcCl (3). Each of these compounds contains Al3+ ions coordinating to four nitrogen atoms and a chlorine atom. Solid-state 27Al NMR spectra, including multiple-quantum magic-angle spinning (MQMAS) spectra and quadrupolar Carr-Purcell-Meiboom-Gill (QCPMG) spectra of stationary powdered samples have been acquired at multiple high magnetic field strengths (11.7, 14.1, and 21.1 T) to determine their composition and number of aluminum sites, which were analyzed to extract detailed information on the aluminum electric field gradient (EFG) and nuclear magnetic shielding tensors. The quadrupolar parameters for each 27Al site were determined from spectral simulations, with quadrupolar coupling constants (CQ) ranging from 5.40 to 10.0 MHz and asymmetry parameters (η) ranging from 0.10 to 0.50, and compared well with the results of quantum chemical calculations of these tensors. We also report the largest 27Al chemical shielding anisotropy (CSA), with a span of 120 ± 10 ppm, observed directly in a solid material. The combination of MQMAS and computational predictions are used to interpret the presence of multiple aluminum sites in two of the three samples.

  6. Third-generation site characterization: Cryogenic core collection, nuclear magnetic resonance, and electrical resistivity

    Science.gov (United States)

    Kiaalhosseini, Saeed

    In modern contaminant hydrology, management of contaminated sites requires a holistic characterization of subsurface conditions. Delineation of contaminant distribution in all phases (i.e., aqueous, non-aqueous liquid, sorbed, and gas), as well as associated biogeochemical processes in a complex heterogeneous subsurface, is central to selecting effective remedies. Arguably, a factor contributing to the lack of success of managing contaminated sites effectively has been the limitations of site characterization methods that rely on monitoring wells and grab sediment samples. The overarching objective of this research is to advance a set of third-generation (3G) site characterization methods to overcome shortcomings of current site characterization techniques. 3G methods include 1) cryogenic core collection (C3) from unconsolidated geological subsurface to improve recovery of sediments and preserving key attributes, 2) high-throughput analysis (HTA) of frozen core in the laboratory to provide high-resolution, depth discrete data of subsurface conditions and processes, 3) resolution of non-aqueous phase liquid (NAPL) distribution within the porous media using a nuclear magnetic resonance (NMR) method, and 4) application of a complex resistivity method to track NAPL depletion in shallow geological formation over time. A series of controlled experiments were conducted to develop the C 3 tools and methods. The critical aspects of C3 are downhole circulation of liquid nitrogen via a cooling system, the strategic use of thermal insulation to focus cooling into the core, and the use of back pressure to optimize cooling. The C3 methods were applied at two contaminated sites: 1) F.E. Warren (FEW) Air Force Base near Cheyenne, WY and 2) a former refinery in the western U.S. The results indicated that the rate of core collection using the C3 methods is on the order of 30 foot/day. The C3 methods also improve core recovery and limits potential biases associated with flowing sands

  7. Few-second-long correlation times in a quantum dot nuclear spin bath probed by frequency-comb nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Waeber, A. M.; Hopkinson, M.; Farrer, I.; Ritchie, D. A.; Nilsson, J.; Stevenson, R. M.; Bennett, A. J.; Shields, A. J.; Burkard, G.; Tartakovskii, A. I.; Skolnick, M. S.; Chekhovich, E. A.

    2016-07-01

    One of the key challenges in spectroscopy is the inhomogeneous broadening that masks the homogeneous spectral lineshape and the underlying coherent dynamics. Techniques such as four-wave mixing and spectral hole-burning are used in optical spectroscopy, and spin-echo in nuclear magnetic resonance (NMR). However, the high-power pulses used in spin-echo and other sequences often create spurious dynamics obscuring the subtle spin correlations important for quantum technologies. Here we develop NMR techniques to probe the correlation times of the fluctuations in a nuclear spin bath of individual quantum dots, using frequency-comb excitation, allowing for the homogeneous NMR lineshapes to be measured without high-power pulses. We find nuclear spin correlation times exceeding one second in self-assembled InGaAs quantum dots--four orders of magnitude longer than in strain-free III-V semiconductors. This observed freezing of the nuclear spin fluctuations suggests ways of designing quantum dot spin qubits with a well-understood, highly stable nuclear spin bath.

  8. Magnetic resonance imaging; Imagerie par resonance magnetique

    Energy Technology Data Exchange (ETDEWEB)

    Fontanel, F. [Centre Hospitalier, 40 - Mont-de -Marsan (France); Clerc, T. [Centre Hospitalier Universitaire, 76 - Rouen (France); Theolier, S. [Hospice Civils de Lyon, 69 - Lyon (France); Verdenet, J. [Centre Hospitalier Universitaire, 25 - Besancon (France)

    1997-04-01

    The last improvements in nuclear magnetic resonance imaging are detailed here, society by society with an expose of their different devices. In the future the different technological evolutions will be on a faster acquisition, allowing to reduce the examination time, on the development of a more acute cardiac imaging, of a functional neuro-imaging and an interactive imaging for intervention. With the contrast products, staying a longer time in the vascular area, the angiography will find its place. Finally, the studies on magnetic fields should allow to increase the volume to examine. (N.C.).

  9. Storage of quantum coherences as phase-labelled local polarization in solid-state nuclear magnetic resonance.

    Science.gov (United States)

    Franzoni, María Belén; Acosta, Rodolfo H; Pastawski, Horacio M; Levstein, Patricia R

    2012-10-13

    Nuclear spins are promising candidates for quantum information processing because their good isolation from the environment precludes the rapid loss of quantum coherence. Many strategies have been developed to further extend their decoherence times. Some of them make use of decoupling techniques based on the Carr-Purcell and Carr-Purcell-Meiboom-Gill pulse sequences. In many cases, when applied to inhomogeneous samples, they yield a magnetization decay much slower than that of the Hahn echo. However, we have proved that these decays cannot be associated with longer decoherence times, as coherences remain frozen. They result from coherences recovered after their storage as local polarization and thus they can be used as memories. We show here how this freezing of the coherent state, which can subsequently be recovered after times longer than the natural decoherence time of the system, can be generated in a controlled way with the use of field gradients. A similar behaviour of homogeneous samples in inhomogeneous fields is demonstrated. It is emphasized that the effects of inhomogeneities in solid-state nuclear magnetic resonance, independently of their origin, should not be disregarded, as they play a crucial role in multipulse sequences.

  10. Restricted lithium ion dynamics in PEO-based block copolymer electrolytes measured by high-field nuclear magnetic resonance relaxation

    Science.gov (United States)

    Huynh, Tan Vu; Messinger, Robert J.; Sarou-Kanian, Vincent; Fayon, Franck; Bouchet, Renaud; Deschamps, Michaël

    2017-10-01

    The intrinsic ionic conductivity of polyethylene oxide (PEO)-based block copolymer electrolytes is often assumed to be identical to the conductivity of the PEO homopolymer. Here, we use high-field 7Li nuclear magnetic resonance (NMR) relaxation and pulsed-field-gradient (PFG) NMR diffusion measurements to probe lithium ion dynamics over nanosecond and millisecond time scales in PEO and polystyrene (PS)-b-PEO-b-PS electrolytes containing the lithium salt LiTFSI. Variable-temperature longitudinal (T1) and transverse (T2) 7Li NMR relaxation rates were acquired at three magnetic field strengths and quantitatively analyzed for the first time at such fields, enabling us to distinguish two characteristic time scales that describe fluctuations of the 7Li nuclear electric quadrupolar interaction. Fast lithium motions [up to O (ns)] are essentially identical between the two polymer electrolytes, including sub-nanosecond vibrations and local fluctuations of the coordination polyhedra between lithium and nearby oxygen atoms. However, lithium dynamics over longer time scales [O (10 ns) and greater] are slower in the block copolymer compared to the homopolymer, as manifested experimentally by their different transverse 7Li NMR relaxation rates. Restricted dynamics and altered thermodynamic behavior of PEO chains anchored near PS domains likely explain these results.

  11. Nuclear magnetic resonance microscopy of the development of the parasitoid wasp Venturia canescens within its host moth Plodia interpunctella.

    Science.gov (United States)

    Chudek, J A; Crook, A M; Hubbard, S F; Hunter, G

    1996-01-01

    Nuclear magnetic resonance microscopy was used to image the parasitoid wasp Venturia canescens (Hymenoptera: Ichneumonidae) within larval and pupal instars of its host, the Indian meal moth, Plodia interpunctella (Lepidoptera: Pyralidae). The images were obtained using gradient-echo and chemical shift selective pulse sequences and clearly showed the location and shapes of the parasitoid as it developed from the L1 larva to a pupal stage within the host. The digestive, nervous, and tracheal systems of the host were identified and changes were observed as the host underwent metamorphosis. Destruction of the host tissues by the parasitoid was visible. It was found that the parasitoid first ate the fat body and digestive system of the host, allowing the host to continue to grow, and only progressed to the vital organs when its own development had neared pupation.

  12. Nuclear magnetic resonance spectrum of living tunicate blood cells and the structure of the native vanadium chromogen.

    Science.gov (United States)

    Carlson, R M

    1975-01-01

    The 1-H nuclear magnetic resonance spectrum of living tunicate blood cells was examined in an attempt to develop a biophysical assay for the native vanadium chromogen. The living cell spectrum was found to exhibit a broad 21 ppm downfield Gaussian signal which, however, disappears immediately upon cell disruption. Examination of the properties of this extremely low field signal revealed that it corresponds to a labile vanadium (III) aquo complex contained in the cell vacuoles, that vanadium(III) concentrations are rigidly regulated within these vacuoles, and that artifact formation does occur in the hemolysate. The living cell spectrum also indicates the number of ligand-bound vanadium(III) coordination sites in the native blood pigment. Results are discussed relation to the possible functions of the vandium chromogen. Images PMID:1056026

  13. Is it Possible to Extract Brain Metabolic Pathways Information from In Vivo H Nuclear Magnetic Resonance Spectroscopy Data?

    CERN Document Server

    de Lara, Alejandro Chinea Manrique

    2010-01-01

    In vivo H nuclear magnetic resonance (NMR) spectroscopy is an important tool for performing non-invasive quantitative assessments of brain tumour glucose metabolism. Brain tumours are considered as fast-growth tumours because of their high rate of proliferation. In addition, tumour cells exhibit profound genetic, biochemical and histological differences with respect to the original non-transformed cellular types. Therefore, there is a strong interest from the clinical investigator point of view in understanding the role of brain metabolites in normal and pathological conditions and especially on the development of early tumour detection techniques. Unfortunately, current diagnosis techniques ignore the dynamic aspects of these signals. It is largely believed that temporal variations of NMR Spectra are noisy or just simply do not carry enough information to be exploited by any reliable diagnosis procedure. Thus, current diagnosis procedures are mainly based on empirical observations extracted from single avera...

  14. Nuclear Magnetic Resonance-Based Metabolic Comparative Analysis of Two Apple Varieties with Different Resistances to Apple Scab Attacks.

    Science.gov (United States)

    Sciubba, Fabio; Di Cocco, Maria Enrica; Gianferri, Raffaella; Capuani, Giorgio; De Salvador, Flavio Roberto; Fontanari, Marco; Gorietti, Daniela; Delfini, Maurizio

    2015-09-23

    Apple scab, caused by the fungus Venturia inaequalis, is the most serious disease of the apple worldwide. Two cultivars (Malus domestica), having different degrees of resistance against fungi attacks, were analyzed by (1)H and (13)C nuclear magnetic resonance (NMR) spectroscopy. Aqueous and organic extracts of both apple flesh and skin were studied, and over 30 metabolites, classified as organic acids, amino acids, carbohydrates, phenolic compounds, lipids, sterols, and other metabolites, were quantified by means of one-dimensional (1D) and two-dimensional (2D) NMR experiments. The metabolic profiles of the two apple cultivars were compared, and the differences were correlated with the different degrees of resistance to apple scab by means of univariate analysis. Levels of metabolites with known antifungal activity were observed not only to be higher in the Almagold cultivar but also to show different correlation patterns in comparison to Golden Delicious, implying a difference in the metabolic network involved in their biosynthesis.

  15. Saturation transfer difference nuclear magnetic resonance titrations reveal complex multistep-binding of l-fucose to norovirus particles.

    Science.gov (United States)

    Mallagaray, Alvaro; Rademacher, Christoph; Parra, Francisco; Hansman, Grant; Peters, Thomas

    2017-01-01

    Recently, combined nuclear magnetic resonance (NMR), native mass spectrometry (MS) and X-ray crystallographic studies have demonstrated that binding of histo-blood group antigens (HBGAs) to norovirus capsid protein (P-dimers) is a cooperative process involving four binding pockets. Here, we show that binding to norovirus virus-like particles (VLPs) is even more complex. We performed saturation transfer difference (STD) NMR titration experiments with two representative genotypes of norovirus VLPs using l-fucose as a minimal HBGA. Compared to titrations with P-dimers, the corresponding binding isotherms reflect at least six distinct binding events. © The Author 2016. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  16. Comparative study of models for predicting permeability from nuclear magnetic resonance (NMR) logs in two Chinese tight sandstone reservoirs

    Science.gov (United States)

    Xiao, Liang; Liu, Xiao-Peng; Zou, Chang-Chun; Hu, Xiao-Xin; Mao, Zhi-Qiang; Shi, Yu-Jiang; Guo, Hao-Peng; Li, Gao-Ren

    2014-02-01

    Based on the analysis of mercury injection capillary pressure (MICP) and nuclear magnetic resonance (NMR) experimental data for core plugs, which were drilled from two Chinese tight sandstone reservoirs, permeability prediction models, such as the classical SDR, Timur-Coates, the Swanson parameter, the Capillary Parachor, the R10 and R35 models, are calibrated to estimating permeabilities from field NMR logs, and the applicabilities of these permeability prediction models are compared. The processing results of several field examples show that the SDR model is unavailable in tight sandstone reservoirs. The Timur-Coates model is effective once the optimal T 2cutoff can be acquired to accurately calculate FFI and BVI from field NMR logs. The Swanson parameter model and the Capillary Parachor model are not always available in tight sandstone reservoirs. The R35 based model cannot effectively work in tight sandstone reservoirs, while the R10 based model is optimal in permeability prediction.

  17. Roasting process of coffee beans as studied by nuclear magnetic resonance: time course of changes in composition.

    Science.gov (United States)

    Wei, Feifei; Furihata, Kazuo; Koda, Masanori; Hu, Fangyu; Miyakawa, Takuya; Tanokura, Masaru

    2012-02-01

    In this paper, we report a (1)H and (13)C nuclear magnetic resonance (NMR)-based comprehensive analysis of coffee bean extracts of different degrees of roast. The roasting process of coffee bean extracts was chemically characterized using detailed signal assignment information coupled with multivariate data analysis. A total of 30 NMR-visible components of coffee bean extracts were monitored simultaneously as a function of the roasting duration. During roasting, components such as sucrose and chlorogenic acids were degraded and components such as quinic acids, N-methylpyridinium, and water-soluble polysaccharides were formed. Caffeine and myo-inositol were relatively thermally stable. Multivariate data analysis indicated that some components such as sucrose, chlorogenic acids, quinic acids, and polysaccharides could serve as chemical markers during coffee bean roasting. The present composition-based quality analysis provides an excellent holistic method and suggests useful chemical markers to control and characterize the coffee-roasting process.

  18. Real-Time In-Cell Nuclear Magnetic Resonance: Ribosome-Targeted Antibiotics Modulate Quinary Protein Interactions.

    Science.gov (United States)

    Breindel, Leonard; DeMott, Christopher; Burz, David S; Shekhtman, Alexander

    2018-01-08

    How ribosome antibiotics affect a wide range of biochemical pathways is not well understood; changes in RNA-mediated protein quinary interactions and consequent activity inside the crowded cytosol may provide one possible mechanism. We developed real-time (RT) in-cell nuclear magnetic resonance (NMR) spectroscopy to monitor temporal changes in protein quinary structure, for ≥24 h, in response to external and internal stimuli. RT in-cell NMR consists of a bioreactor containing gel-encapsulated cells inside a 5 mm NMR tube, a gravity siphon for continuous exchange of medium, and a horizontal drip irrigation system to supply nutrients to the cells during the experiment. We showed that adding antibiotics that bind to the small ribosomal subunit results in more extensive quinary interactions between thioredoxin and mRNA. The results substantiate the idea that RNA-mediated modulation of quinary protein interactions may provide the physical basis for ribosome inhibition and other regulatory pathways.

  19. Nuclear magnetic resonance titration of the interaction between pemphigus vulgaris autoantibodies and REWVKFAKPCRE, a therapeutic desmoglein 3 peptide.

    Science.gov (United States)

    Lucchese, A; Sinha, A A

    2016-08-01

    Pemphigus vulgaris (PV) is an autoimmune skin disease, the primary autoantigen of which is the desmosomal cadherin desmoglein (Dsg)3. The exact defin-ition of Dsg3 epitopes and their relationship(s) to the pathophysiology of blister formation are important for the advancement of efforts to develop more effective and specific therapies for PV. To characterize the binding of autoantibodies from patients with PV to a Dsg3 peptide, REWVKFAKPCRE, which shows therapeutic effectiveness but does not induce pathogenic antibodies. We carried out a titration experiment of the reaction between PV autoantibodies and the peptide Dsg349-60REWVKFAKPCRE using nuclear magnetic resonance (NMR) spectroscopy. The interaction between Dsg349-60REWVKFAKPCRE and PV autoantibodies at concentrations of 20, 40 and 60 mg was found to involve R49 and A55 residues. Our data seem to suggest that the REWVKFAKPCRE peptide may mimic epitopic Dsg3 extracellular sequences related to pathogenic autoantibodies. © 2016 British Association of Dermatologists.

  20. In situ nuclear magnetic resonance response of permafrost and active layer soil in boreal and tundra ecosystems

    Science.gov (United States)

    Kass, Mason A.; Irons, Trevor P; Minsley, Burke J.; Pastick, Neal J.; Brown, Dana R N; Wylie, Bruce K.

    2017-01-01

    Characterization of permafrost, particularly warm and near-surface permafrost which can contain significant liquid water, is critical to understanding complex interrelationships with climate change, ecosystems, and disturbances such as wildfires. Understanding the vulnerability and resilience of permafrost requires an interdisciplinary approach, relying on (for example) geophysical investigations, ecological characterization, direct observations, remote sensing, and more. As part of a multi-year investigation into the impacts of wildfires to permafrost, we have collected in situ measurements of the nuclear magnetic resonance (NMR) response of active layer and permafrost in a variety of soil conditions, types, and saturations. In this paper, we summarize the NMR data and present quantitative relationships between active layer and permafrost liquid water content and pore sizes. Through statistical analyses and synthetic freezing simulations, we also demonstrate that borehole NMR can image the nucleation of ice within soil pore spaces.

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

    Energy Technology Data Exchange (ETDEWEB)

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

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

  2. In situ nuclear magnetic resonance response of permafrost and active layer soil in boreal and tundra ecosystems

    Directory of Open Access Journals (Sweden)

    M. A. Kass

    2017-12-01

    Full Text Available Characterization of permafrost, particularly warm and near-surface permafrost which can contain significant liquid water, is critical to understanding complex interrelationships with climate change, ecosystems, and disturbances such as wildfires. Understanding the vulnerability and resilience of permafrost requires an interdisciplinary approach, relying on (for example geophysical investigations, ecological characterization, direct observations, remote sensing, and more. As part of a multiyear investigation into the impacts of wildfires on permafrost, we have collected in situ measurements of the nuclear magnetic resonance (NMR response of the active layer and permafrost in a variety of soil conditions, types, and saturations. In this paper, we summarize the NMR data and present quantitative relationships between active layer and permafrost liquid water content and pore sizes and show the efficacy of borehole NMR (bNMR to permafrost studies. Through statistical analyses and synthetic freezing simulations, we also demonstrate that borehole NMR is sensitive to the nucleation of ice within soil pore spaces.

  3. In situ nuclear magnetic resonance response of permafrost and active layer soil in boreal and tundra ecosystems

    Science.gov (United States)

    Kass, M. Andy; Irons, Trevor P.; Minsley, Burke J.; Pastick, Neal J.; Brown, Dana R. N.; Wylie, Bruce K.

    2017-12-01

    Characterization of permafrost, particularly warm and near-surface permafrost which can contain significant liquid water, is critical to understanding complex interrelationships with climate change, ecosystems, and disturbances such as wildfires. Understanding the vulnerability and resilience of permafrost requires an interdisciplinary approach, relying on (for example) geophysical investigations, ecological characterization, direct observations, remote sensing, and more. As part of a multiyear investigation into the impacts of wildfires on permafrost, we have collected in situ measurements of the nuclear magnetic resonance (NMR) response of the active layer and permafrost in a variety of soil conditions, types, and saturations. In this paper, we summarize the NMR data and present quantitative relationships between active layer and permafrost liquid water content and pore sizes and show the efficacy of borehole NMR (bNMR) to permafrost studies. Through statistical analyses and synthetic freezing simulations, we also demonstrate that borehole NMR is sensitive to the nucleation of ice within soil pore spaces.

  4. Nuclear Magnetic Resonance Spectroscopy Investigations of Naphthalene-Based 1,2,3-Triazole Systems for Anion Sensing

    Directory of Open Access Journals (Sweden)

    Karelle Aiken

    2018-02-01

    Full Text Available Detailed Nuclear Magnetic Resonance (NMR spectroscopy investigations on a novel naphthalene-substituted 1,2,3-triazole-based fluorescence sensor provided evidence for the “turn-on” detection of anions. The one-step, facile synthesis of the sensors was implemented using the “Click chemistry” approach in good yield. When investigated for selectivity and sensitivity against a series of anions (F−, Cl−, Br−, I−, H2PO4−, ClO4−, OAc−, and BF4−, the sensor displayed the strongest fluorometric response for the fluoride anion. NMR and fluorescence spectroscopic studies validate a 1:1 binding stoichiometry between the sensor and the fluoride anion. Single crystal X-ray diffraction evidence revealed the structure of the sensor in the solid state.

  5. Altered phospholipid metabolism in schizophrenia: a phosphorus 31 nuclear magnetic resonance spectroscopy study.

    Science.gov (United States)

    Weber-Fahr, Wolfgang; Englisch, Susanne; Esser, Andrea; Tunc-Skarka, Nuran; Meyer-Lindenberg, Andreas; Ende, Gabriele; Zink, Mathias

    2013-12-30

    Phospholipid (PL) metabolism is investigated by in vivo 31P magnetic resonance spectroscopy (MRS). Inconsistent alterations of phosphocholine (PC), phosphoethanolamine (PE), glycerophosphocholine (GPC) and glycerophosphoethanolamine (GPE) have been described in schizophrenia, which might be overcome by specific editing techniques. The selective refocused insensitive nuclei-enhanced polarization transfer (RINEPT) technique was applied in a cross-sectional study involving 11 schizophrenia spectrum disorder patients (SZP) on stable antipsychotic monotherapy and 15 matched control subjects. Metabolite signals were found to be modulated by cerebrospinal fluid (CSF) content and gray matter/brain matter ratio. Corrected metabolite concentrations of PC, GPC and PE differed between patients and controls in both subcortical and cortical regions, whereas antipsychotic medication exerted only small effects. Significant correlations were found between the severity of clinical symptoms and the assessed signals. In particular, psychotic symptoms correlated with PC levels in the cerebral cortex, depression with PC levels in the cerebellum and executive functioning with GPC in the insular and temporal cortices. In conclusion, after controlling for age and tissue composition, this investigation revealed alterations of metabolite levels in SZP and correlations with clinical properties. RINEPT 31P MRS should also be applied to at-risk-mental-state patients as well as drug-naïve and chronically treated schizophrenic patients in order to enhance the understanding of longitudinal alterations of PL metabolism in schizophrenia. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  6. Three dimensional gel dosimetry by use of nuclear magnetic resonance imaging (MRI)

    Energy Technology Data Exchange (ETDEWEB)

    De Deene, Y.; De Wagter, C.; Van Duyse, B.; Achten, E.; De Neve, W. [Ghent Rijksuniversiteit (Belgium). Kliniek voor Radiotherapie en Kerngeneeskunde; De Poorter, J. [Ghent Univ. (Belgium). Dept. of Magnetic Resonance

    1995-12-01

    As co-monomers are found to polymerize by radiation, they are eligible for constructing a three dimensional dosimeter. Another kind of three dimensional dosimeter, based on the radiation sensitivity of the ferrous ions in a Fricke solution, was tested in a previous study. However, a major problem that occurs in this kind of gel dosimeters is the diffusion of the ferric and ferrous ions. The co-monomer gels are more stable. The degree of polymerisation is visualized with a clinical MRI system. Acrylamide and N,N-methylene-bis-acrylamide are dissolved in a gel composed of gelatin and water. By irradiation the co-monomers are polymerized to polyacrylamide. The gel is casted in humanoid forms. As such, a simulation of the irradiation of the patient can be performed. Magnetic resonance relaxivity images of the irradiated gel display the irradiation dose. The images of the gel are fused with the radiological images of the patient. Quantitation of the dose response of the co-monomer gel is obtained through calibration by test tubes.

  7. Temperature dependence of X-ray absorption and nuclear magnetic resonance spectra: probing quantum vibrations of light elements in oxides.

    Science.gov (United States)

    Nemausat, Ruidy; Gervais, Christel; Brouder, Christian; Trcera, Nicolas; Bordage, Amélie; Coelho-Diogo, Cristina; Florian, Pierre; Rakhmatullin, Aydar; Errea, Ion; Paulatto, Lorenzo; Lazzeri, Michele; Cabaret, Delphine

    2017-02-22

    A combined experimental-theoretical study on the temperature dependence of the X-ray absorption near-edge structure (XANES) and nuclear magnetic resonance (NMR) spectra of periclase (MgO), spinel (MgAl2O4), corundum (α-Al2O3), berlinite (α-AlPO4), stishovite and α-quartz (SiO2) is reported. Predictive calculations are presented when experimental data are not available. For these light-element oxides, both experimental techniques detect systematic effects related to quantum thermal vibrations which are well reproduced by density-functional theory simulations. In calculations, thermal fluctuations of the nuclei are included by considering nonequilibrium configurations according to finite-temperature quantum statistics at the quasiharmonic level. The influence of nuclear quantum fluctuations on XANES and NMR spectroscopies is particularly sensitive to the coordination number of the probed cation. Furthermore, the relative importance of nuclear dynamics and thermal expansion is quantified over a large range of temperatures.

  8. Magnetic Resonance Imaging (MRI) -- Head

    Science.gov (United States)

    ... News Physician Resources Professions Site Index A-Z Magnetic Resonance Imaging (MRI) - Head Magnetic resonance imaging (MRI) of the head ... limitations of MRI of the Head? What is MRI of the Head? Magnetic resonance imaging (MRI) is ...

  9. Magnetic Resonance Imaging (MRI) - Spine

    Science.gov (United States)

    ... News Physician Resources Professions Site Index A-Z Magnetic Resonance Imaging (MRI) - Spine Magnetic resonance imaging (MRI) of the spine ... limitations of MRI of the Spine? What is MRI of the Spine? Magnetic resonance imaging (MRI) is ...

  10. Pattern recognition analysis of proton nuclear magnetic resonance spectra of brain tissue extracts from rats anesthetized with propofol or isoflurane.

    Directory of Open Access Journals (Sweden)

    Hiroshi Kawaguchi

    Full Text Available BACKGROUND: General anesthesia is routinely used as a surgical procedure and its safety has been endorsed by clinical outcomes; however, its effects at the molecular level have not been elucidated. General anesthetics influence glucose metabolism in the brain. However, the effects of anesthetics on brain metabolites other than those related to glucose have not been well characterized. We used a pattern recognition analysis of proton nuclear magnetic resonance spectra to visualize the changes in holistic brain metabolic phenotypes in response to the widely used intravenous anesthetic propofol and the volatile anesthetic isoflurane. METHODOLOGY/PRINCIPAL FINDINGS: Rats were randomized into five groups (n = 7 each group. Propofol and isoflurane were administered to two groups each, for 2 or 6 h. The control group received no anesthesia. Brains were removed directly after anesthesia. Hydrophilic compounds were extracted from excised whole brains and measured by proton nuclear magnetic resonance spectroscopy. All spectral data were processed and analyzed by principal component analysis for comparison of the metabolite profiles. Data were visualized by plotting principal component (PC scores. In the plots, each point represents an individual sample. The propofol and isoflurane groups were clustered separately on the plots, and this separation was especially pronounced when comparing the 6-h groups. The PC scores of the propofol group were clearly distinct from those of the control group, particularly in the 6-h group, whereas the difference in PC scores was more subtle in the isoflurane group and control groups. CONCLUSIONS/SIGNIFICANCE: The results of the present study showed that propofol and isoflurane exerted differential effects on holistic brain metabolism under anesthesia.

  11. (1)H-Nuclear magnetic resonance-based plasma metabolic profiling of dairy cows with clinical and subclinical ketosis.

    Science.gov (United States)

    Sun, L W; Zhang, H Y; Wu, L; Shu, S; Xia, C; Xu, C; Zheng, J S

    2014-03-01

    The purpose of this study was to assess the metabolic profile of plasma samples from cows with clinical and subclinical ketosis. According to clinical signs and 3-hydroxybutyrate plasma levels, 81 multiparous Holstein cows were selected from a dairy farm 7 to 21 d after calving. The cows were divided into 3 groups: cows with clinical ketosis, cows with subclinical ketosis, and healthy control cows. (1)H-Nuclear magnetic resonance-based metabolomics was used to assess the plasma metabolic profiles of the 3 groups. The data were analyzed by principal component analysis, partial least squares discriminant analysis, and orthogonal partial least-squares discriminant analysis. The differences in metabolites among the 3 groups were assessed. The orthogonal partial least-squares discriminant analysis model differentiated the 3 groups of plasma samples. The model predicted clinical ketosis with a sensitivity of 100% and a specificity of 100%. In the case of subclinical ketosis, the model had a sensitivity of 97.0% and specificity of 95.7%. Twenty-five metabolites, including acetoacetate, acetone, lactate, glucose, choline, glutamic acid, and glutamine, were different among the 3 groups. Among the 25 metabolites, 4 were upregulated, 7 were downregulated, and 14 were both upregulated and downregulated. The results indicated that plasma (1)H-nuclear magnetic resonance-based metabolomics, coupled with pattern recognition analytical methods, not only has the sensitivity and specificity to distinguish cows with clinical and subclinical ketosis from healthy controls, but also has the potential to be developed into a clinically useful diagnostic tool that could contribute to a further understanding of the disease mechanisms. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  12. Properties of K,Rb-intercalated C60 encapsulated inside carbon nanotubes called peapods derived from nuclear magnetic resonance

    KAUST Repository

    Mahfouz, Remi

    2015-09-18

    We present a detailed experimental study on how magnetic and electronic properties of Rb,K-intercalated C60 encapsulated inside carbon nanotubes called peapods can be derived from 13C nuclear magnetic resonance investigations. Ring currents do play a basic role in those systems; in particular, the inner cavities of nanotubes offer an ideal environment to investigate the magnetism at the nanoscale. We report the largest diamagnetic shifts down to −68.3 ppm ever observed in carbon allotropes, which is connected to the enhancement of the aromaticity of the nanotube envelope upon intercalation. The metallization of intercalated peapods is evidenced from the chemical shift anisotropy and spin-lattice relaxation (T1) measurements. The observed relaxation curves signal a three-component model with two slow and one fast relaxing components. We assigned the fast component to the unpaired electrons charged C60 that show a phase transition near 100 K. The two slow components can be rationalized by the two types of charged C60 at two different positions with a linear regime following Korringa behavior, which is typical for metallic system and allow us to estimate the density of sate at Fermi level n(EF).

  13. Magnetic resonance tomography in syringomyelia

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, D.; Treisch, J.; Hertel, G.; Schoerner, W.; Fiegler, W.

    1985-12-01

    Thirteen patients with a clinical diagnosis of syringomyelia were examined by nuclear tomography (0.35 T magnet) in the spin-echo mode. In all thirteen patients, the T1 images (Se 400/35) showed a longitudinal cavity with a signal intensity of CSF. The shape and extent of the syrinx could be adequately demonstrated in 12 of the 13 examinations. Downward displacement of the cerebellar tonsils was seen in eight cases. The examination took between half and one hour. Advantages of magnetic resonance tomography (nuclear tomography) include the absence of artifacts, images in the line of the lesion and its non-invasiveness.

  14. 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.

  15. Captopril improves recovery of adenosine triphosphate during reperfusion of the ischemic isolated rat heart; a 31-phosphorus-nuclear magnetic resonance study

    NARCIS (Netherlands)

    Gilst, W.H. van; Robillard, G.T.; Dijkstra, K.; Wildevuur, C.R.H.

    1988-01-01

    The effect of captopril on energy-rich phosphates and pH during normothermic ischemic arrest, hypothermic cardioplegic arrest and subsequent reperfusion was investigated in the isolated rat heart using 31P-nuclear magnetic resonance. The hearts remained in the probe during all perfusion procedures

  16. Intra- and inter-metabolite correlation spectroscopy of tomato metabolomics data obtained by liquid chromatography-mass spectrometry and nuclear magnetic resonance

    NARCIS (Netherlands)

    Moco, S.I.A.; Forshed, J.; Vos, de C.H.; Bino, R.J.; Vervoort, J.J.M.

    2008-01-01

    Nuclear magnetic resonance (NMR) and liquid chromatography-mass spectrometry (LCMS) are frequently used as technological platforms for metabolomics applications. In this study, the metabolic profiles of ripe fruits from 50 different tomato cultivars, including beef, cherry and round types, were

  17. Second order average Hamiltonian theory of symmetry-based pulse schemes in the nuclear magnetic resonance of rotating solids: application to triple-quantum dipolar recoupling.

    NARCIS (Netherlands)

    Brinkmann, A.; Eden, M.

    2004-01-01

    The average Hamiltonian theory (AHT) of several classes of symmetry-based radio-frequency pulse sequences is developed to second order, allowing quantitative analyses of a wide range of recoupling and decoupling applications in magic-angle-spinning solid state nuclear magnetic resonance. General

  18. 360-MHz 1H nuclear-magnetic-resonance spectroscopy of sialyl-oligosaccharides from patients with sialidosis (mucolipidosis I and II)

    NARCIS (Netherlands)

    Vliegenthart, J.F.G.; Dorland, L.; Haverkamp, J.; Strecker, G.; Michalski, J.-C.; Fournet, b.; Spik, G.; Montreuil, J.

    1978-01-01

    360-MHz proton nuclear magnetic resonance spectra were recorded of 10 sialyl-oligosaccharides isolated form urine of sialidosis patients. Their structures are related to the complex aspareagine-linked glydan chains of glycoproteins. By correlation of these spectra and comparison with spectra of

  19. 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...

  20. Fourier Transform Mass Spectrometry and Nuclear Magnetic Resonance Analysis for the Rapid and Accurate Characterization of Hexacosanoylceramide.

    Science.gov (United States)

    Ross, Charles W; Simonsick, William J; Bogusky, Michael J; Celikay, Recep W; Guare, James P; Newton, Randall C

    2016-06-28

    Ceramides are a central unit of all sphingolipids which have been identified as sites of biological recognition on cellular membranes mediating cell growth and differentiation. Several glycosphingolipids have been isolated, displaying immunomodulatory and anti-tumor activities. These molecules have generated considerable interest as potential vaccine adjuvants in humans. Accurate analyses of these and related sphingosine analogues are important for the characterization of structure, biological function, and metabolism. We report the complementary use of direct laser desorption ionization (DLDI), sheath flow electrospray ionization (ESI) Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS) and high-field nuclear magnetic resonance (NMR) analysis for the rapid, accurate identification of hexacosanoylceramide and starting materials. DLDI does not require stringent sample preparation and yields representative ions. Sheath-flow ESI yields ions of the product and byproducts and was significantly better than monospray ESI due to improved compound solubility. Negative ion sheath flow ESI provided data of starting materials and products all in one acquisition as hexacosanoic acid does not ionize efficiently when ceramides are present. NMR provided characterization of these lipid molecules complementing the results obtained from MS analyses. NMR data was able to differentiate straight chain versus branched chain alkyl groups not easily obtained from mass spectrometry.

  1. Fourier Transform Mass Spectrometry and Nuclear Magnetic Resonance Analysis for the Rapid and Accurate Characterization of Hexacosanoylceramide

    Directory of Open Access Journals (Sweden)

    Charles W. Ross

    2016-06-01

    Full Text Available Ceramides are a central unit of all sphingolipids which have been identified as sites of biological recognition on cellular membranes mediating cell growth and differentiation. Several glycosphingolipids have been isolated, displaying immunomodulatory and anti-tumor activities. These molecules have generated considerable interest as potential vaccine adjuvants in humans. Accurate analyses of these and related sphingosine analogues are important for the characterization of structure, biological function, and metabolism. We report the complementary use of direct laser desorption ionization (DLDI, sheath flow electrospray ionization (ESI Fourier transform ion cyclotron resonance mass spectrometry (FTICR MS and high-field nuclear magnetic resonance (NMR analysis for the rapid, accurate identification of hexacosanoylceramide and starting materials. DLDI does not require stringent sample preparation and yields representative ions. Sheath-flow ESI yields ions of the product and byproducts and was significantly better than monospray ESI due to improved compound solubility. Negative ion sheath flow ESI provided data of starting materials and products all in one acquisition as hexacosanoic acid does not ionize efficiently when ceramides are present. NMR provided characterization of these lipid molecules complementing the results obtained from MS analyses. NMR data was able to differentiate straight chain versus branched chain alkyl groups not easily obtained from mass spectrometry.

  2. Magnetic recording with acoustic waves

    Energy Technology Data Exchange (ETDEWEB)

    Li, Weiyang; Buford, Benjamin; Jander, Albrecht; Dhagat, Pallavi, E-mail: dhagat@eecs.oregonstate.edu

    2014-09-01

    We demonstrate acoustically assisted magnetic recording (AAMR), a new paradigm in magnetic data storage. In this concept, otherwise unwriteable high-coercivity media, requisite for thermally stable high-density data storage, are made amenable to recording by lowering their coercivity via strain induced by surface acoustic waves. The basic principles of AAMR are proven using galfenol, a low-coercivity magnetostrictive material, as the recording medium. It is shown that the writing field needed to record data in the presence of acoustic strain is lower than the coercivity of the unstrained galfenol film. Further, it is demonstrated that interference between acoustic waves can be tailored to selectively address a bit on the recording medium.

  3. Nuclear magnetic resonance: a tool for imaging belowground damage caused by Heterodera schachtii and Rhizoctonia solani on sugar beet

    Science.gov (United States)

    Hillnhütter, C.; Sikora, R. A.; Oerke, E. -C.; van Dusschoten, D.

    2012-01-01

    Belowground symptoms of sugar beet caused by the beet cyst nematode (BCN) Heterodera schachtii include the development of compensatory secondary roots and beet deformity, which, thus far, could only be assessed by destructively removing the entire root systems from the soil. Similarly, the symptoms of Rhizoctonia crown and root rot (RCRR) caused by infections of the soil-borne basidiomycete Rhizoctonia solani require the same invasive approach for identification. Here nuclear magnetic resonance imaging (MRI) was used for the non-invasive detection of belowground symptoms caused by BCN and/or RCRR on sugar beet. Excessive lateral root development and beet deformation of plants infected by BCN was obvious 28 days after inoculation (dai) on MRI images when compared with non-infected plants. Three-dimensional images recorded at 56 dai showed BCN cysts attached to the roots in the soil. RCRR was visualized by a lower intensity of the MRI signal at sites where rotting occurred. The disease complex of both organisms together resulted in RCRR development at the site of nematode penetration. Damage analysis of sugar beet plants inoculated with both pathogens indicated a synergistic relationship, which may result from direct and indirect interactions. Nuclear MRI of plants may provide valuable, new insight into the development of pathogens infecting plants below- and aboveground because of its non-destructive nature and the sufficiently high spatial resolution of the method. PMID:21948851

  4. 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.[...

  5. Ghost magnetic resonance angiography

    National Research Council Canada - National Science Library

    Koktzoglou, Ioannis; Edelman, Robert R

    2009-01-01

    Traditional methods for magnetic resonance angiography (MRA) involve the radiofrequency excitation of vascular spins within a selected region of tissue, followed by gradient localization and imaging of those spins within that same region...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1978-10-03

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

  7. Rotatable Small Permanent Magnet Array for Ultra-Low Field Nuclear Magnetic Resonance Instrumentation: A Concept Study

    National Research Council Canada - National Science Library

    Vogel, Michael W; Giorni, Andrea; Vegh, Viktor; Pellicer-Guridi, Ruben; Reutens, David C

    2016-01-01

    .... The finite element method (COMSOL®) was employed for the numerical study of a small permanent magnet array to calculate achievable magnetic field strength, homogeneity, switching time and magnetic forces...

  8. Magnetic Resonance Sensors

    OpenAIRE

    Morris, RH; Newton, MI

    2014-01-01

    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 medica...

  9. Fertility-associated metabolites in bull seminal plasma and blood serum: 1H nuclear magnetic resonance analysis.

    Science.gov (United States)

    Kumar, Ajeet; Kroetsch, Tom; Blondin, Patrick; Anzar, Muhammad

    2015-02-01

    Early estimation of bull fertility is highly desirable for the conservation of male genetics of endangered species and for the exploitation of genetically superior sires in artificial insemination programs. The present work was conducted as a proof-of-principle study to identify fertility-associated metabolites in dairy bull seminal plasma and blood serum using proton nuclear magnetic resonance ((1)H NMR). Semen and blood samples were collected from high- and low-fertility breeding bulls (n = 5 each), stationed at Semex, Guelph, Canada. NMR spectra of serum and seminal plasma were recorded at a resonance frequency of 500.13 MHz on a Bruker Avance-500 spectrometer equipped with an inverse triple resonance probe (TXI, 5 mm). Spectra were phased manually, baseline corrected, and calibrated against 3-(trimethylsilyl) propionic-2,2,3,3-d4 acid at 0.0 parts per million (ppm). Spectra were converted to an appropriate format for analysis using Prometab software running within MATLAB. Principal component analysis was used to examine intrinsic variation in the NMR data set, and to identify trends and to exclude outliers. Partial least square-discriminant analysis was performed to identify the significant features between fertility groups. The fertility-associated metabolites with variable importance in projections (VIP) scores >2 were citrate (2.50 ppm), tryptamine/taurine (3.34-3.38 ppm), isoleucine (0.74 ppm), and leucine (0.78 ppm) in the seminal plasma; and isoleucine (1.14 ppm), asparagine (2.90-2.94 ppm), glycogen (3.98 ppm), and citrulline (1.54 ppm) in the serum. These metabolites showed identifiable peaks, and thus can be used as biomarkers of fertility in breeding bulls. © 2015 Wiley Periodicals, Inc.

  10. An Investigation of the Potential of 31-Phosphorus Nuclear Magnetic Resonance Spectroscopy to Predict Radiation Sensitivity

    Science.gov (United States)

    1988-01-01

    adenine triphosphate (NTP). The PME resonance originates primarily from phosphorylethanolamine (PE) and phosphorylcholine (PC). The phosphate diester (PDE...1985. 17. Gyulai, L., Bolinger, L., Leigh, J. S., Jr., Barlow, C., and Chance, B. Phosphorylethanolamine -the major constituent of the

  11. Dynamics of magnetic bubbles in acoustic and magnetic fields.

    Science.gov (United States)

    Zhao, Xue; Quinto-Su, Pedro A; Ohl, Claus-Dieter

    2009-01-16

    We report on shelled bubbles that can be manipulated with magnetic fields. The magnetic shell consists of self-assembled magnetic nanoparticles. The magnetic susceptibility of the bubbles is proportional to the surface area, chi_{b}=(9+/-3x10;{-6} m)r;{2} where r is the radius. Magnetic bubbles are compressible in moderate acoustic fields. A bubble with a radius of 121 mum oscillates in resonance in a sound field of 27 kHz with a peak-to-peak radial amplitude of 1.7 mum. The bubble oscillations induce a microstreaming flow with a toroidal vortex at the upper pole of the bubble. Further findings are the longevity of the magnetic bubbles and the ease of manipulation with standard magnets.

  12. Fatty acid distribution in systems modeling the normal and diabetic human circulation. A 13C nuclear magnetic resonance study.

    Science.gov (United States)

    Cistola, D P; Small, D M

    1991-01-01

    A nonperturbing 13C nuclear magnetic resonance (NMR) method was used to monitor the equilibrium distribution of carboxyl 13C-enriched fatty acids (FA) between distinct binding sites on human serum albumin, native human lipoproteins, and/or phospholipid model membranes, under conditions that mimic the normal and diabetic human circulation. Two variables pertinent to the diabetic circulation were examined: FA/albumin mole ratio (as elevated in insulin deficiency and/or nephrosis) and pH (as decreased in acidosis). 13C NMR spectra for samples containing carboxyl 13C-enriched palmitate, human serum albumin, and phospholipid vesicles or native lipoproteins (all samples at pH 7.4, 37 degrees C) exhibited up to six carboxyl NMR resonances corresponding to FA bound to distinct binding sites on albumin and nonalbumin components. When the sample FA/albumin mole ratio was 1, three FA carboxyl resonances were observed (182.2, 181.8, and 181.6 ppm; designated peaks beta, gamma, and beta', respectively). These resonances corresponded to FA bound to three distinct high-affinity binding sites on human serum albumin. When the sample mole ratio value exceeded 1, additional carboxyl resonances corresponding to FA bound to phospholipid vesicles (179.0 ppm, peak phi), lipoproteins (180.7 ppm, peak sigma), and lower affinity sites on albumin (183.8 ppm, peak alpha; 181.9 ppm, peak gamma'), were observed. The intensity of peaks phi and sigma increased with increasing mole ratio or decreasing pH. Using Lorentzian lineshape analysis, the relative mole quantities of FA bound to albumin and nonalbumin binding sites were determined. Plots of the fraction of FA associated with nonalbumin components as a function of FA/albumin mole ratio were linear and extrapolated to the abscissa at a mole ratio value of 1. This pattern of FA distribution was observed regardless of the type of nonalbumin acceptor used (phospholipid vesicles, human high- or low-density lipoproteins) or the type of FA used

  13. 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

  14. 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...

  15. Solidly Mounted Resonator with Optimized Acoustic Reflector

    NARCIS (Netherlands)

    Jose, Sumy; Jansman, Andreas; Hueting, Raymond Josephus Engelbart

    2009-01-01

    The quality factor (Q) of the Solidly Mounted Resonator is limited by acoustic losses caused by waves leaking through the mirror stack. Traditionally employed acoustic mirror reflects only longitudinal waves and not shear waves. Starting with the stop-band theory and the principle of spacer layers

  16. Children's (Pediatric) Magnetic Resonance Imaging

    Medline Plus

    Full Text Available ... Resources Professions Site Index A-Z Children’s (Pediatric) Magnetic Resonance Imaging Children’s magnetic resonance imaging (MRI) uses a powerful magnetic field, radio waves ...

  17. Magnetic Resonance Imaging (MRI) -- Head

    Medline Plus

    Full Text Available ... News Physician Resources Professions Site Index A-Z Magnetic Resonance Imaging (MRI) - Head Magnetic resonance imaging (MRI) of the head uses a powerful magnetic field, radio waves and a computer to produce ...

  18. Children's (Pediatric) Magnetic Resonance Imaging

    Medline Plus

    Full Text Available ... Resources Professions Site Index A-Z Children’s (Pediatric) Magnetic Resonance Imaging Children’s magnetic resonance imaging (MRI) uses a powerful magnetic field, radio ...

  19. Nuclear magnetic resonance imaging of membrane permeability changes in plants during osmotic stress

    NARCIS (Netherlands)

    Weerd, van der L.; Claessens, M.M.A.E.; Efde, C.; As, van H.

    2002-01-01

    The cell water balance of maize (Zea mays L., cv LG 11) andpearl millet (Pennisetum americanum L., cv MH 179) duringosmotic stress was studied non-invasively using 1H nuclearmagnetic resonance (NMR) microscopy. Single NMR parameter imagesof (i) the water content (ii) the transverse relaxation time

  20. A set of triple-resonance nuclear magnetic resonance experiments for structural characterization of organophosphorus compounds in mixture samples

    Energy Technology Data Exchange (ETDEWEB)

    Koskela, Harri, E-mail: Harri.T.Koskela@helsinki.fi [VERIFIN, University of Helsinki, P.O. Box 55, FIN-00014 Helsinki (Finland)

    2012-11-02

    Highlights: Black-Right-Pointing-Pointer New {sup 1}H, {sup 13}C, {sup 31}P triple-resonance NMR pulse experiments. Black-Right-Pointing-Pointer Analysis of organophosphorus (OP) compounds in complex matrix. Black-Right-Pointing-Pointer Selective extraction of {sup 1}H, {sup 31}P, and {sup 13}C chemical shifts and connectivities. Black-Right-Pointing-Pointer More precise NMR identification of OP nerve agents and their degradation products. - Abstract: The {sup 1}H, {sup 13}C correlation NMR spectroscopy utilizes J{sub CH} couplings in molecules, and provides important structural information from small organic molecules in the form of carbon chemical shifts and carbon-proton connectivities. The full potential of the {sup 1}H, {sup 13}C correlation NMR spectroscopy has not been realized in the Chemical Weapons Convention (CWC) related verification analyses due to the sample matrix, which usually contains a high amount of non-related compounds obscuring the correlations of the relevant compounds. Here, the results of the application of {sup 1}H, {sup 13}C, {sup 31}P triple-resonance NMR spectroscopy in characterization of OP compounds related to the CWC are presented. With a set of two-dimensional triple-resonance experiments the J{sub HP}, J{sub CH} and J{sub PC} couplings are utilized to map the connectivities of the atoms in OP compounds and to extract the carbon chemical shift information. With the use of the proposed pulse sequences the correlations from the OP compounds can be recorded without significant artifacts from the non-OP compound impurities in the sample. Further selectivity of the observed correlations is achieved with the application of phosphorus band-selective pulse in the pulse sequences to assist the analysis of multiple OP compounds in mixture samples. The use of the triple-resonance experiments in the analysis of a complex sample is shown with a test mixture containing typical scheduled OP compounds, including the characteristic degradation

  1. Proton Dynamics in ZnO Nanorods Quantified by In Situ Solid-State 1H Nuclear Magnetic Resonance

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Li Q.; Zhou, Xiao Dong; Exarhos, Gregory J.; Pederson, Larry R.; Wang, Chong M.; Windisch, Charles F.; Yao, Chunhua

    2007-10-22

    Zinc oxide (ZnO) adopts wurtzite structure and possesses a direct wide band gap (Eg ~ 3.3 eV at 300 K), similar to that of GaN (Eg ~ 3.4 eV at 300 K), which enables ZnO as an alternative candidate to replace GaN for use in optoelectronic devices. The present controversy is centered at the microscopic origin of the “native donors”, particularly after ab initio calculations by Van de Walle, which indicate that hydrogen is soluble in ZnO at the interstitial sites, effectively forming a donor level just below the conduction band in ZnO. Hence, the origin of n type conductivity in ZnO is proposed due to the presence of hydrogen. Electron paramagnetic resonance and spectroscopic observations of muons provide experimental evidence of hydrogen presence in ZnO. Whereas, Look et al. suggests that the complex of zinc interstitial and nitrogen defect is a stronger candidate for donor than hydrogen interstitials under N ambient. Hydrogen-oxygen complex is claimed to be stable even at T > 1000°C in the hydrothermally synthesized ZnO. Therefore, the thermodynamic nature of hydrogen characteristics remains controversial, particularly its role on resident defects. In this letter, in situ temperature dependent solid state 1H magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy is employed to probe the local chemical environments of hydrogen in ZnO nanorods. To best knowledge of ours, this is the first time that the presence of hydrogen, its concentration, and local transport dynamics are directly chemically determined. Moreover, in situ NMR allows a new approach to investigate the absorption and desorption of protons from different sites on the ZnO nanorods, thus study of site-specific proton dynamics in ZnO becomes feasible.

  2. Nuclear Magnetic Resonance and Headspace Solid-Phase Microextraction Gas Chromatography as Complementary Methods for the Analysis of Beer Samples

    Directory of Open Access Journals (Sweden)

    Sarah R. Johnson

    2017-04-01

    Full Text Available Chemical analysis of the organic components in beer has applications to quality control, authenticity and improvements to the flavor characteristics and brewing process. This study aims to show the complementary nature of two instrumental techniques which, in combination, can identify and quantify a number of organic components in a beer sample. Nuclear Magnetic Resonance (NMR was used to provide concentrations of 26 different organic compounds including alcohols, organic acids, carbohydrates, and amino acids. Calorie content was also estimated for the samples. NMR data for ethanol concentrations were validated by comparison to a Fourier Transform Infrared Spectrometry (FTIR method. Headspace Solid-Phase Microextraction (SPME Gas Chromatography Mass Spectrometry (GCMS was used to identify a range of volatile compounds such as alcohols, esters and hop-derived aroma compounds. A simple and inexpensive conversion of a Gas Chromatography Flame Ionization Detector (GC FID instrument to allow the use of Solid-Phase Microextraction was found to be useful for the quantification of volatile esters.

  3. Molecular interactions between green tea catechins and cheese fat studied by solid-state nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Rashidinejad, Ali; Birch, Edward J; Hindmarsh, Jason; Everett, David W

    2017-01-15

    Molecular integrations between green tea catechins and milk fat globules in a cheese matrix were investigated using solid-state magic angle spinning nuclear magnetic resonance spectroscopy. Full-fat cheeses were manufactured containing free catechin or free green tea extract (GTE), and liposomal encapsulated catechin or liposomal encapsulated GTE. Molecular mobility of the carbon species in the cheeses was measured by a wide-line separation technique. The (1)H evolution frequency profile of the (13)C peak at 16ppm obtained for the control cheese and cheeses containing encapsulated polyphenols (catechin or GTE) were similar, however, the spectrum was narrower for cheeses containing free polyphenols. Differences in spectral width indicates changes in the molecular mobility of --CH3- or -C-C-PO4- species through hydrophobic and/or cation-π associations between green tea catechins and cheese fat components. However, the similar spectral profile suggests that encapsulation protects cheese fat from interaction with catechins. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Windowed direct exponential curve resolution quantification of nuclear magnetic resonance spectroscopy with applications to amniotic fluid metabonomics

    Energy Technology Data Exchange (ETDEWEB)

    Botros, L.L

    2007-07-01

    This thesis presents a quantitative protocol of proton nuclear magnetic resonance ({sup 1}H NMR) that allows the determination of human amniotic fluid metabolite concentrations, which are then used in a metabonomic study to establish patient health during gestation. {sup 1}H NMR free inductive decays (FIDs) of 258 human amniotic fluid samples from a 500MHz spectrometer are acquired. Quantitative analyses methods in both the frequency- and time-domain are carried out and compared. Frequency-domain analysis is accomplished by integration of the metabolite peaks before and after the inclusion of a known standard addition of alanine. Time-domain analysis is accomplished by the direct exponential curve resolution algorithm (DECRA). Both techniques are assessed by applications to calibration biological solutions and a simulated data set. The DECRA method proves to be a more accurate and precise route for quantitative analysis, and is included in the developed protocol. Well-defined peaks of various components are visible in the frequency-domain {sup 1}H NMR spectra, including lactate, alanine, acetate, citrate, choline, glycine, and glucose. All are quantified with the proposed protocol. Statistical t-test and notched box and whisker plots are used to compare means of metabolite concentrations for diabetic and normal patients. Glucose, glycine, and choline are all found to correlate with gestational diabetes mellitus early in gestation. With further development, time-domain quantitative {sup 1}H NMR has potential to become a robust diagnostic tool for gestational health. (author)

  5. Virtual screening for potential inhibitors of Mcl-1 conformations sampled by normal modes, molecular dynamics, and nuclear magnetic resonance

    Science.gov (United States)

    Glantz-Gashai, Yitav; Meirson, Tomer; Reuveni, Eli; Samson, Abraham O

    2017-01-01

    Myeloid cell leukemia-1 (Mcl-1) is often overexpressed in human cancer and is an important target for developing antineoplastic drugs. In this study, a data set containing 2.3 million lead-like molecules and a data set of all the US Food and Drug Administration (FDA)-approved drugs are virtually screened for potential Mcl-1 ligands using Protein Data Bank (PDB) ID 2MHS. The potential Mcl-1 ligands are evaluated and computationally docked on to three conformation ensembles generated by normal mode analysis (NMA), molecular dynamics (MD), and nuclear magnetic resonance (NMR), respectively. The evaluated potential Mcl-1 ligands are then compared with their clinical use. Remarkably, half of the top 30 potential drugs are used clinically to treat cancer, thus partially validating our virtual screen. The partial validation also favors the idea that the other half of the top 30 potential drugs could be used in the treatment of cancer. The normal mode-, MD-, and NMR-based conformation greatly expand the conformational sampling used herein for in silico identification of potential Mcl-1 inhibitors. PMID:28684899

  6. Publication of nuclear magnetic resonance experimental data with semantic web technology and the application thereof to biomedical research of proteins.

    Science.gov (United States)

    Yokochi, Masashi; Kobayashi, Naohiro; Ulrich, Eldon L; Kinjo, Akira R; Iwata, Takeshi; Ioannidis, Yannis E; Livny, Miron; Markley, John L; Nakamura, Haruki; Kojima, Chojiro; Fujiwara, Toshimichi

    2016-05-05

    The nuclear magnetic resonance (NMR) spectroscopic data for biological macromolecules archived at the BioMagResBank (BMRB) provide a rich resource of biophysical information at atomic resolution. The NMR data archived in NMR-STAR ASCII format have been implemented in a relational database. However, it is still fairly difficult for users to retrieve data from the NMR-STAR files or the relational database in association with data from other biological databases. To enhance the interoperability of the BMRB database, we present a full conversion of BMRB entries to two standard structured data formats, XML and RDF, as common open representations of the NMR-STAR data. Moreover, a SPARQL endpoint has been deployed. The described case study demonstrates that a simple query of the SPARQL endpoints of the BMRB, UniProt, and Online Mendelian Inheritance in Man (OMIM), can be used in NMR and structure-based analysis of proteins combined with information of single nucleotide polymorphisms (SNPs) and their phenotypes. We have developed BMRB/XML and BMRB/RDF and demonstrate their use in performing a federated SPARQL query linking the BMRB to other databases through standard semantic web technologies. This will facilitate data exchange across diverse information resources.

  7. Chemical purity using quantitative 1H-nuclear magnetic resonance: a hierarchical Bayesian approach for traceable calibrations.

    Science.gov (United States)

    Toman, Blaza; Nelson, Michael A; Lippa, Katrice A

    2016-01-01

    Chemical purity assessment using quantitative 1H-nuclear magnetic resonance spectroscopy is a method based on ratio references of mass and signal intensity of the analyte species to that of chemical standards of known purity. As such, it is an example of a calculation using a known measurement equation with multiple inputs. Though multiple samples are often analyzed during purity evaluations in order to assess measurement repeatability, the uncertainty evaluation must also account for contributions from inputs to the measurement equation. Furthermore, there may be other uncertainty components inherent in the experimental design, such as independent implementation of multiple calibration standards. As such, the uncertainty evaluation is not purely bottom up (based on the measurement equation) or top down (based on the experimental design), but inherently contains elements of both. This hybrid form of uncertainty analysis is readily implemented with Bayesian statistical analysis. In this article we describe this type of analysis in detail and illustrate it using data from an evaluation of chemical purity and its uncertainty for a folic acid material.

  8. Online hyphenated liquid chromatography-nuclear magnetic resonance spectroscopy-mass spectrometry for drug metabolite and nature product analysis.

    Science.gov (United States)

    Yang, Zheng

    2006-02-24

    Screening analysis that aims at rapidly distinguishing new molecules in the presence of a large number of known compounds becomes increasingly important in the fields of drug metabolite profiling and nature product investigation. In the past decade, online-coupled liquid chromatography-nuclear magnetic resonance spectroscopy-mass spectrometry (LC-NMR-MS) has emerged as a powerful tool for the detection and identification of known and, more important, emerging compounds in complex clinical, pharmaceutical samples and nature product extracts, due to the complementary information provided by the two detectors for unambiguous structure elucidation. This review discusses the practical conditions under which LC-NMR-MS is suitable as a routine tool for unknown analysis, as well as the fundamental concepts and their advantage aspects. Particular attention is paid to its major operating parameters that include the instrumental configurations, working modes, NMR probe improvement and LC mobile phase selection. Finally, the recent applications of LC-NMR-MS to clinical metabolite and nature product analysis are summarized which have shown the benefit of this promising hyphenated technique.

  9. Measurement of bubble size distribution in a gas-liquid foam using pulsed-field gradient nuclear magnetic resonance.

    Science.gov (United States)

    Stevenson, Paul; Sederman, Andrew J; Mantle, Mick D; Li, Xueliang; Gladden, Lynn F

    2010-12-01

    Pulsed-field gradient nuclear magnetic resonance, previously used for measuring droplet size distributions in emulsions, has been used to measure bubble size distributions in a non-overflowing pneumatic gas-liquid foam that has been created by sparging propane into an aqueous solution of 1.5g/l (5.20mM) SDS. The bubble size distributions measured were reproducible and approximated a Weibull distribution. However, the bubble size distributions did not materially change with position at which they were measured within the froth. An analysis of foam coarsening due to Ostwald ripening in a non-overflowing foam indicates that, for the experimental conditions employed, one would not expect this to be a significant effect. It is therefore apparent that the eventual collapse of the foam is due to bubble bursting (or surface coalescence) rather than Ostwald ripening. This surface coalescence occurs because of evaporation from the free surface of the foam. An analytical solution for the liquid fraction profile for a certain class of non-overflowing pneumatic foam is given, and a mean bubble size that is appropriate for drainage calculations is suggested. Copyright © 2010 Elsevier Inc. All rights reserved.

  10. BATMAN--an R package for the automated quantification of metabolites from nuclear magnetic resonance spectra using a Bayesian model.

    Science.gov (United States)

    Hao, Jie; Astle, William; De Iorio, Maria; Ebbels, Timothy M D

    2012-08-01

    Nuclear Magnetic Resonance (NMR) spectra are widely used in metabolomics to obtain metabolite profiles in complex biological mixtures. Common methods used to assign and estimate concentrations of metabolites involve either an expert manual peak fitting or extra pre-processing steps, such as peak alignment and binning. Peak fitting is very time consuming and is subject to human error. Conversely, alignment and binning can introduce artefacts and limit immediate biological interpretation of models. We present the Bayesian automated metabolite analyser for NMR spectra (BATMAN), an R package that deconvolutes peaks from one-dimensional NMR spectra, automatically assigns them to specific metabolites from a target list and obtains concentration estimates. The Bayesian model incorporates information on characteristic peak patterns of metabolites and is able to account for shifts in the position of peaks commonly seen in NMR spectra of biological samples. It applies a Markov chain Monte Carlo algorithm to sample from a joint posterior distribution of the model parameters and obtains concentration estimates with reduced error compared with conventional numerical integration and comparable to manual deconvolution by experienced spectroscopists. http://www1.imperial.ac.uk/medicine/people/t.ebbels/ t.ebbels@imperial.ac.uk.

  11. Characterization of Metabolite Profile in Phyllanthus niruri and Correlation with Bioactivity Elucidated by Nuclear Magnetic Resonance Based Metabolomics

    Directory of Open Access Journals (Sweden)

    Ahmed Mediani

    2017-05-01

    Full Text Available Phyllanthus niruri is an important medicinal plant. To standardize the extract and guarantee its maximum benefit, processing methods optimization ought to be amenable and beneficial. Herein, three dried P. niruri samples, air (AD, freeze (FD and oven (OD, extracted with various ethanol to water ratios (0%, 50%, 70%, 80% and 100% were evaluated for their metabolite changes using proton nuclear magnetic resonance (1H-NMR-based metabolomics approach. The amino acids analysis showed that FD P. niruri exhibited higher content of most amino acids compared to the other dried samples. Based on principal component analysis (PCA, the FD P. niruri extracted with 80% ethanol contained higher amounts of hypophyllanthin and phenolic compounds based on the loading plot. The partial least-square (PLS results showed that the phytochemicals, including hypophyllanthin, catechin, epicatechin, rutin, quercetin and chlorogenic, caffeic, malic and gallic acids were correlated with antioxidant and α-glucosidase inhibitory activities, which were higher in the FD material extracted with 80% ethanol. This report optimized the effect of drying and ethanol ratios and these findings demonstrate that NMR-based metabolomics was an applicable approach. The FD P. niruri extracted with 80% ethanol can be used as afunctional food ingredient for nutraceutical or in medicinal preparation.

  12. Gluconeogenesis in the livers of diet-restricted rats--a 13C nuclear magnetic resonance study.

    Science.gov (United States)

    Liu, K J; Jarad, J; Donahue, P E

    1996-01-01

    Gluconeogenic activity is reduced during starvation. However, it is less clear whether the utilization of gluconeogenic substrates is diminished with mild but prolonged diet restriction and, if so, whether there are intrinsic changes in the gluconeogenic pathway. We examined gluconeogenesis in the livers of diet-restricted rats with 13C nuclear magnetic resonance (NMR) spectroscopy. Fischer 344 rats were given 88% (DR group) of what was consumed by the weight-matched ad libitum-fed normal rats (CL group). At the end of 5 weeks, the removed livers were perfused with [3-13C] alanine while 13C NMR spectroscopy was performed. The final body and liver weights were the same for the two groups. In DR rats, both intrahepatic [3-13C] alanine and metabolites generated via pyruvate and oxaloacetate, including aspartate and carbamoyl aspartate, appeared in significantly reduced amounts. There was also marked diminution in the production of glucose. In the livers of DR rats, alanine uptake through System A transport, the fluxes through pyruvate carboxylase, the biosynthesis of pyrimidine nucleotides, and the production of glucose from alanine were all significantly decreased with mild intake restriction. Attenuated protein synthesis in the liver of diet-restricted animals may be the cause for this decreased utilization of alanine for gluconeogenesis.

  13. Structure and dynamics of [3.3]paracyclophane as studied by nuclear magnetic resonance and density functional theory calculations.

    Science.gov (United States)

    Dodziuk, Helena; Szymański, Sławomir; Jaźwiński, Jarosław; Marchwiany, Maciej E; Hopf, Henning

    2010-09-30

    Strained cyclophanes with small (-CH(2)-)(n) bridges connecting two benzene rings are interesting objects of basic research, mostly because of the nonplanarity of the rings and of interference of π-electrons of the latter. For title [3.3]paracyclophane, in solutions occurring in two interconverting cis and trans conformers, the published nuclear magnetic resonance (NMR) data are incomplete and involve its partially deuterated isotopomers. In this paper, variable-temperature NMR studies of its perprotio isotopomer combined with DFT quantum chemical calculations provide a complete characterization of the solution structure, NMR parameters, and interconversion of the cis and trans isomers of the title compound. Using advanced methods of spectral analysis, total quantitative interpretation of its proton NMR spectra in both the static and dynamic regimes is conducted. In particular, not only the geminal but also all of the vicinal J(HH) values for the bridge protons are determined, and for the first time, complete Arrhenius data for the interconversion process are reported. The experimental proton and carbon chemical shifts and the (n)J(HH), (1)J(CH), and (1)J(CC) coupling constants are satisfactorily reproduced theoretically by the values obtained from the density functional theory calculations.

  14. Nuclear Magnetic Resonance Characterization of the Type III Secretion System Tip Chaperone Protein PcrG of Pseudomonas aeruginosa.

    Science.gov (United States)

    Chaudhury, Sukanya; Nordhues, Bryce A; Kaur, Kawaljit; Zhang, Na; De Guzman, Roberto N

    2015-11-03

    Lung infection with Pseudomonas aeruginosa is the leading cause of death among cystic fibrosis patients. To initiate infection, P. aeruginosa assembles a protein nanomachine, the type III secretion system (T3SS), to inject bacterial proteins directly into target host cells. An important regulator of the P. aeruginosa T3SS is the chaperone protein PcrG, which forms a complex with the tip protein, PcrV. In addition to its role as a chaperone to the tip protein, PcrG also regulates protein secretion. PcrG homologues are also important in the T3SS of other pathogens such as Yersinia pestis, the causative agent of bubonic plague. The atomic structure of PcrG or any member of the family of tip protein chaperones is currently unknown. Here, we show by circular dichroism and nuclear magnetic resonance (NMR) spectroscopy that PcrG lacks a tertiary structure. However, it is not completely disordered but contains secondary structures dominated by two long α-helices from residue 16 to 41 and from residue 55 to 76. The helices of PcrG are partially formed, have similar backbone dynamics, and are flexible. NMR titrations show that the entire length of PcrG residues from position 9 to 76 is involved in binding to PcrV. PcrG adds to the growing list of partially folded or unstructured proteins with important roles in type III secretion.

  15. Primary and secondary relaxation process in plastically crystalline cyanocyclohexane studied by 2H nuclear magnetic resonance. II. Quantitative analysis

    Science.gov (United States)

    Micko, B.; Kruk, D.; Rössler, E. A.

    2013-02-01

    We analyze the results of our previously reported 2H nuclear magnetic resonance (NMR) experiments in the plastically crystalline (PC) phase of cyanocyclohexane (Part I of this work) to study the fast secondary relaxation (or β-process) in detail. Both, the occurrence of an additional minimum in the spin-lattice relaxation T1 and the pronounced effects arising in the solid-echo spectrum above the glass transition temperature Tg = 134 K, allow for a direct determination of the restricting geometry of the β-process in terms of the "wobbling-in-a-cone" model. Whereas at temperatures below Tg the reorientation is confined to rather small solid angles (below 10°), the spatial restriction decreases strongly with temperature above Tg, i.e., the distribution of cone angles shifts continuously towards higher values. The β-process in the PC phase of cyanocyclohexane proceeds via the same mechanism as found in structural glass formers. This is substantiated by demonstrating the very similar behavior (for T log τβ⟩ (taken from dielectric spectroscopy). We do, however, not observe a clear-cut relation between the relaxation strength of the β-process observed by NMR (calculated within the wobbling-in-a-cone model) and dielectric spectroscopy.

  16. Studies of a peatified angiosperm log cross section from Indonesia by nuclear magnetic resonance spectroscopy and analytical pyrolysis

    Science.gov (United States)

    Bates, A.L.; Hatcher, P.G.; Lerch, H. E.; Cecil, C.B.; Neuzil, S.G.; ,

    1991-01-01

    Samples from a 10 cm cross-sectional radius of a peatified angiosperm log from Sumatra, Indonesia, were examined by 13C nuclear magnetic resonance and pyrolysis-gas chromatography in order to understand chemical changes due to the peatification process. NMR results show degradation by selective loss of carbohydrates in all parts of the log section compared with fresh wood; however, the degree of degradation is less near the center of the log section. The degree of ring substitution of aromatic lignin monomeric units, as measured by dipolar dephasing NMR methods, appears to be less at the center of the log section than at the periphery. The methoxyl carbon content of lignin in the log is lower than in unaltered angiospermous lignin but does not appear to change as a function of either radial position or the degree of aromatic ring substitution. Pyrolysis-gas chromatography indicates higher yields of catechols in the outer areas relative to the heartwood. Other than the variations in catechol contents and in the yields of carbohydrate-derived pyrolysis products (e.g. levoglucosan, angelicalactones), the pyrolysis results do not show significant changes related to radial position, indicating that the lignin is not significantly altered across the log section. ?? 1991.

  17. Application of nuclear magnetic resonance logs for evaluating low-resistivity reservoirs: a case study from the Cambay basin, India

    Science.gov (United States)

    Chatterjee, Rima; Datta Gupta, Saurabh; Farooqui, M. Y.

    2012-10-01

    Low-resistivity pay sands have been identified in four wells, namely: AM-7, AM-8, TA-1 and TA-5, which penetrate the Eocene pay-IV (EP-IV) sand unit of the Kalol formation in the Cambay basin. These wells are located near the Dholka and Kanwara oilfields in the Cambay basin. The main objective of this paper is to evaluate nuclear magnetic resonance (NMR) logs of the low-resistivity reservoirs from these four wells and to determine the petrophysical properties more accurately than conventional logs have done. The thickness of low-resistivity sand varies from 5 to 17 m in the wells under the study area. The formation has been characterized by a high surface area; thus irreducible water saturation (Swi) is high. The resistivity of these pay zones varies from 1 to 8 Ωm and the total NMR porosity ranges from 15% to 50%. The free fluid porosity ranges from 2% to 5% in wells TA-1 and TA-5 and 12-20% in wells AM-7 and AM-8. The Timur-Coates/SDR model derived that the permeability of the low-resistivity reservoir ranges from 0.8 to 1.5 md in wells TA-1 and TA-5 and 10-110 md in wells AM-7 and AM-8.

  18. Interactions between Pyruvate and Lactate Metabolism in Propionibacterium freudenreichii subsp. shermanii: In Vivo 13C Nuclear Magnetic Resonance Studies

    Science.gov (United States)

    Deborde, Catherine; Boyaval, Patrick

    2000-01-01

    In vivo 13C nuclear magnetic resonance spectroscopy was used to elucidate the pathways and the regulation of pyruvate metabolism and pyruvate-lactate cometabolism noninvasively in living-cell suspensions of Propionibacterium freudenreichii subsp. shermanii. The most important result of this work concerns the modification of fluxes of pyruvate metabolism induced by the presence of lactate. Pyruvate was temporarily converted to lactate and alanine; the flux to acetate synthesis was maintained, but the flux to propionate synthesis was increased; and the reverse flux of the first part of the Wood-Werkman cycle, up to acetate synthesis, was decreased. Pyruvate was consumed at apparent initial rates of 148 and 90 μmol · min−1 · g−1 (cell dry weight) when it was the sole substrate or cometabolized with lactate, respectively. Lactate was consumed at an apparent initial rate of 157 μmol · min−1 · g−1 when it was cometabolized with pyruvate. P. shermanii used several pathways, namely, the Wood-Werkman cycle, synthesis of acetate and CO2, succinate synthesis, gluconeogenesis, the tricarboxylic acid cycle, and alanine synthesis, to manage its pyruvate pool sharply. In both types of experiments, acetate synthesis and the Wood-Werkman cycle were the metabolic pathways used most. PMID:10788375

  19. Interactions between pyruvate and lactate metabolism in Propionibacterium freudenreichii subsp. shermanii: in vivo (13)C nuclear magnetic resonance studies.

    Science.gov (United States)

    Deborde, C; Boyaval, P

    2000-05-01

    In vivo (13)C nuclear magnetic resonance spectroscopy was used to elucidate the pathways and the regulation of pyruvate metabolism and pyruvate-lactate cometabolism noninvasively in living-cell suspensions of Propionibacterium freudenreichii subsp. shermanii. The most important result of this work concerns the modification of fluxes of pyruvate metabolism induced by the presence of lactate. Pyruvate was temporarily converted to lactate and alanine; the flux to acetate synthesis was maintained, but the flux to propionate synthesis was increased; and the reverse flux of the first part of the Wood-Werkman cycle, up to acetate synthesis, was decreased. Pyruvate was consumed at apparent initial rates of 148 and 90 micromol. min(-1). g(-1) (cell dry weight) when it was the sole substrate or cometabolized with lactate, respectively. Lactate was consumed at an apparent initial rate of 157 micromol. min(-1). g(-1) when it was cometabolized with pyruvate. P. shermanii used several pathways, namely, the Wood-Werkman cycle, synthesis of acetate and CO(2), succinate synthesis, gluconeogenesis, the tricarboxylic acid cycle, and alanine synthesis, to manage its pyruvate pool sharply. In both types of experiments, acetate synthesis and the Wood-Werkman cycle were the metabolic pathways used most.

  20. Virtual screening for potential inhibitors of Mcl-1 conformations sampled by normal modes, molecular dynamics, and nuclear magnetic resonance

    Directory of Open Access Journals (Sweden)

    Glantz-Gashai Y

    2017-06-01

    Full Text Available Yitav Glantz-Gashai,* Tomer Meirson,* Eli Reuveni, Abraham O Samson Faculty of Medicine in the Galilee, Bar Ilan University, Safed, Israel *These authors contributed equally to this work Abstract: Myeloid cell leukemia-1 (Mcl-1 is often overexpressed in human cancer and is an important target for developing antineoplastic drugs. In this study, a data set containing 2.3 million lead-like molecules and a data set of all the US Food and Drug Administration (FDA-approved drugs are virtually screened for potential Mcl-1 ligands using Protein Data Bank (PDB ID 2MHS. The potential Mcl-1 ligands are evaluated and computationally docked on to three conformation ensembles generated by normal mode analysis (NMA, molecular dynamics (MD, and nuclear magnetic resonance (NMR, respectively. The evaluated potential Mcl-1 ligands are then compared with their clinical use. Remarkably, half of the top 30 potential drugs are used clinically to treat cancer, thus partially validating our virtual screen. The partial validation also favors the idea that the other half of the top 30 potential drugs could be used in the treatment of cancer. The normal mode-, MD-, and NMR-based conformation greatly expand the conformational sampling used herein for in silico identification of potential Mcl-1 inhibitors. Keywords: virtual screening, Mcl-1, molecular dynamics, NMR, normal modes

  1. Metabolic Alterations of the Zebrafish Brain after Acute Alcohol Treatment by 1H Nuclear Magnetic Resonance Spectroscopy

    Directory of Open Access Journals (Sweden)

    Dong-Cheol Woo

    2013-01-01

    Full Text Available The purpose of this study is to investigate the metabolic alterations associated with acute alcohol treatment in zebrafish by 1H nuclear magnetic resonance spectroscopy (NMRS. The brain metabolism of zebrafish was investigated after acute alcohol treatment (one-hour long exposure of adult fish to 0.00%, 0.25%, 0.50%, or 1.00% ethyl alcohol with whole brain extraction. The results of this study showed that glutamate (Glu was significantly decreased, scyllo-inositol (sIns showed a small apparent increase only in the highest acute treatment dose group, and myoinositol (mIns showed a significant decrease. [Glu]/[tCr] and [mIns]/[tCr] levels were significantly reduced regardless of the alcohol dose, and [sIns]/[tCr] was increased in the highest alcohol treatment dose group. The present NMR study revealed that specific metabolites, such as Glu and mIns, were substantially decreased in case of acute alcohol exposed zebrafish brain.

  2. Real-Time Analysis of Tenofovir Release Kinetics Using Quantitative Phosphorus (31P) Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Agrahari, Vivek; Meng, Jianing; Purohit, Sudhaunshu S; Oyler, Nathan A; Youan, Bi-Botti C

    2017-10-01

    The dialysis method is classically used for drug separation before analysis, but does not provide direct and real-time drug quantification and has limitations affecting the dialysis rate. In this study, a phosphorus nuclear magnetic resonance (31P-qNMR) method is developed for the real-time quantification of therapeutic molecules in vitro. The release kinetics of model drug, tenofovir (anti-HIV microbicide), was analyzed in vaginal fluid simulant (VFS), seminal fluid simulant (SFS), and human plasma (HP) from chitosan nanofibers (size ∼100-200 nm) using the NMR (direct) method and compared with dialysis/UV-Vis (indirect) method. The assay was linear in VFS/SFS (0.20-5.0 mM), HP (0.30-5.0 mM of drug concentration range) and specific no drug 31P-qNMR chemical shift [∼15 ppm] interference with formulation/media components. Limit of detection values were 0.075/0.10/0.20 mM, whereas limit of quantification values were 0.20/0.20/0.30 mM in VFS/SFS/HP, respectively. The method was robust, precise (%RSE 31P-qNMR provides more accurate, real-time, and direct drug quantification for effective in vitro-in vivo correlation. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  3. Solid-state 13C nuclear magnetic resonance studies of coalified gymnosperm xylem tissue from Australian brown coals

    Science.gov (United States)

    Hatcher, P.G.; Lerch, H. E.; Bates, A.L.; Verheyen, T.V.

    1989-01-01

    We report here on the use of solid-state 13C nuclear magnetic resonance (NMR) spectroscopy to contrast the average chemical composition of modern degraded gymnosperm woods with fossil gymnosperm woods from Australian brown coals (Miocene). We first established the quantitative nature of the NMR techniques for these samples so that the conventional solid-state 13C NMR spectra and the dipolar dephasing NMR spectra could be used with a high degree of reliability to depict average chemical compositions. The NMR results provide some valuable insights about the early coalification of xylem tissue from gymnosperms. Though the cellulosic components of wood are degraded to varying degrees during peatification and ensuing coalification, it is unlikely that they play a major role in the formation of aromatic structures in coalified woods. The NMR data show that gynmosperm lignin, the primary aromatic contribution to the coal, is altered in part by demethylation of guaiacyl-units to catechol-like structures. The dipolar dephasing NMR data indicate that the lignin also becomes more cross-linked or condensed. ?? 1989.

  4. Study of the method of water-injected meat identifying based on low-field nuclear magnetic resonance

    Science.gov (United States)

    Xu, Jianmei; Lin, Qing; Yang, Fang; Zheng, Zheng; Ai, Zhujun

    2018-01-01

    The aim of this study to apply low-field nuclear magnetic resonance technique was to study regular variation of the transverse relaxation spectral parameters of water-injected meat with the proportion of water injection. Based on this, the method of one-way ANOVA and discriminant analysis was used to analyse the differences between these parameters in the capacity of distinguishing water-injected proportion, and established a model for identifying water-injected meat. The results show that, except for T 21b, T 22e and T 23b, the other parameters of the T 2 relaxation spectrum changed regularly with the change of water-injected proportion. The ability of different parameters to distinguish water-injected proportion was different. Based on S, P 22 and T 23m as the prediction variable, the Fisher model and the Bayes model were established by discriminant analysis method, qualitative and quantitative classification of water-injected meat can be realized. The rate of correct discrimination of distinguished validation and cross validation were 88%, the model was stable.

  5. /sup 31/P nuclear magnetic resonance chemical shielding tensors of L-0-serine phosphate and 3'-cytidine monophosphate

    Energy Technology Data Exchange (ETDEWEB)

    Kohler, S.J.; Klein, M.P.

    1977-12-07

    /sup 31/P nuclear magnetic resonance chemical shielding tensors have been measured from single crystals of L-O-serine phosphate and 3'-cytidine monophosphate. The principal elements of the shielding tensors are -48, -2, and 51 ppM for serine phosphate and -68, -13, and 64 ppM for 3'-cytidine monophosphate, relative to 85% H/sub 3/PO/sub 4/. In both cases four orientations of the shielding tensor on the molecule are possible; in both instances one orientation correlates well with the P--O bond directions. This orientation of the shielding tensor places the most downfield component of the tensor in the plane containing the two longest P--O bonds and the most upfield component of the shielding tensor in the plane containing the two shortest P--O bonds. A similar orientation was reported for the /sup 31/P shielding tensor of phosphorylethanolamine and a comparison is made between the three molecules.

  6. The impact of moderate altitude on exercise metabolism in recreational sportsmen: a nuclear magnetic resonance metabolomic approach.

    Science.gov (United States)

    Messier, Florian M; Le Moyec, Laurence; Santi, Carole; Gaston, Anne-Fleur; Triba, Mohamed N; Roca, Emma; Durand, Fabienne

    2017-11-01

    Although it is known that altitude impairs performance in endurance sports, there is no consensus on the involvement of energy substrates in this process. The objective of the present study was to determine whether the metabolomic pathways used during endurance exercise differ according to whether the effort is performed at sea level or at moderate altitude (at the same exercise intensity, using proton nuclear magnetic resonance, (1)H NMR). Twenty subjects performed two 60-min endurance exercise tests at sea level and at 2150 m at identical relative intensity on a cycle ergometer. Blood plasma was obtained from venous blood samples drawn before and after exercise. (1)H NMR spectral analysis was then performed on the plasma samples. A multivariate statistical technique was applied to the NMR data. The respective relative intensities of the sea level and altitude endurance tests were essentially the same when expressed as a percentage of the maximal oxygen uptake measured during the corresponding incremental maximal exercise test. Lipid use was similar at sea level and at altitude. In the plasma, levels of glucose, glutamine, alanine, and branched-chain amino acids had decreased after exercise at altitude but not after exercise at sea level. The decrease in plasma glucose and free amino acid levels observed after exercise at altitude indicated that increased involvement of the protein pathway was necessary but not sufficient for the maintenance of glycaemia. Metabolomics is a powerful means of gaining insight into the metabolic changes induced by exercise at altitude.

  7. Determination of bidirectional permeability of proton exchange membranes using a {sup 1}H nuclear magnetic resonance technique

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Eun Ah; Pak, Chanho; Chang, Hyuk; Seung, Doyoung; Choi, Yeong Suk [Energy and Environment Laboratory, Samsung Advanced Institute of Technology (SAIT), P.O. Box 111, Suwon 449-600 (Korea); Kim, Tae Kyoung [Research Institute of Chemical and Electronic Materials, Cheil Industries Inc., Uiwang-si 437-711 (Korea)

    2008-05-01

    Bidirectional permeability of proton exchange membranes was measured using a {sup 1}H nuclear magnetic resonance (NMR) technique based on the assignment of characteristic peaks and derivation of a relationship between the peak areas and the concentrations of methanol, water and D{sub 2}O. The concentration variations of the liquids determined with NMR spectra showed that both methanol and the water transports were affected by the thickness and the chemical structure of membranes. Molar ratios of methanol to water diffused through membranes elucidated that chemical structures of membranes had a strong influence on the methanol transport, compared to thickness. Reverse-direction diffusion behaviors of membranes, back-diffusions, were also appraised with the D{sub 2}O amounts. The amounts of back-diffusions were much less than those of the water transported from the opposite direction, which is the first report on the direct measurements of back-diffusions. The results suggest that {sup 1}H NMR technique can evaluate bidirectional transports of proton exchange membranes. (author)

  8. A simple and accurate protocol for absolute polar metabolite quantification in cell cultures using quantitative nuclear magnetic resonance.

    Science.gov (United States)

    Goldoni, Luca; Beringhelli, Tiziana; Rocchia, Walter; Realini, Natalia; Piomelli, Daniele

    2016-05-15

    Absolute analyte quantification by nuclear magnetic resonance (NMR) spectroscopy is rarely pursued in metabolomics, even though this would allow researchers to compare results obtained using different techniques. Here we report on a new protocol that permits, after pH-controlled serum protein removal, the sensitive quantification (limit of detection [LOD] = 5-25 μM) of hydrophilic nutrients and metabolites in the extracellular medium of cells in cultures. The method does not require the use of databases and uses PULCON (pulse length-based concentration determination) quantitative NMR to obtain results that are significantly more accurate and reproducible than those obtained by CPMG (Carr-Purcell-Meiboom-Gill) sequence or post-processing filtering approaches. Three practical applications of the method highlight its flexibility under different cell culture conditions. We identified and quantified (i) metabolic differences between genetically engineered human cell lines, (ii) alterations in cellular metabolism induced by differentiation of mouse myoblasts into myotubes, and (iii) metabolic changes caused by activation of neurotransmitter receptors in mouse myoblasts. Thus, the new protocol offers an easily implementable, efficient, and versatile tool for the investigation of cellular metabolism and signal transduction. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Prolonged induced hypothermia in hemorrhagic shock is associated with decreased muscle metabolism: a nuclear magnetic resonance-based metabolomics study.

    Science.gov (United States)

    Lusczek, Elizabeth R; Lexcen, Daniel R; Witowski, Nancy E; Determan, Charles; Mulier, Kristine E; Beilman, Greg

    2014-01-01

    Hemorrhagic shock is a leading cause of trauma-related death in war and is associated with significant alterations in metabolism. Using archived serum samples from a previous study, the purpose of this work was to identify metabolic changes associated with induced hypothermia in a porcine model of hemorrhagic shock. Twelve Yorkshire pigs underwent a standardized hemorrhagic shock and resuscitation protocol to simulate battlefield injury with prolonged evacuation to definitive care in cold environments. Animals were randomized to receive either hypothermic (33°C) or normothermic (39°C) limited resuscitation for 8 h, followed by standard resuscitation. Proton nuclear magnetic resonance spectroscopy was used to evaluate serum metabolites from these animals at intervals throughout the hypothermic resuscitation period. Animals in the hypothermic group had a significantly higher survival rate (P = 0.02) than normothermic animals. Using random forest analysis, a difference in metabolic response between hypothermic and normothermic animals was identified. Hypothermic resuscitation was characterized by decreased concentrations of several muscle-related metabolites including taurine, creatine, creatinine, and amino acids. This study suggests that a decrease in muscle metabolism as a result of induced hypothermia is associated with improved survival.

  10. Referencing strategy for the direct comparison of nuclear magnetic resonance and molecular dynamics motional parameters in RNA.

    Science.gov (United States)

    Musselman, Catherine; Zhang, Qi; Al-Hashimi, Hashim; Andricioaei, Ioan

    2010-01-21

    Nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations are both techniques that can be used to characterize the structural dynamics of biomolecules and their underlying time scales. Comparison of relaxation parameters obtained through each methodology allows for cross validation of techniques and for complementarity in the analysis of dynamics. Here we present a combined NMR/MD study of the dynamics of HIV-1 transactivation response (TAR) RNA. We compute relaxation constants (R(1), R(2), and NOE) and model-free parameters (S(2) and tau) from a 65 ns molecular dynamics (MD) trajectory and compare them with the respective parameters measured in a domain-elongation NMR experiment. Using the elongated domain as the frame of reference for all computed parameters allows for a direct comparison between experiment and simulation. We see good agreement for many parameters and gain further insight into the nature of the local and global dynamics of TAR, which are found to be quite complex, spanning multiple time scales. For the few cases where agreement is poor, comparison of the dynamical parameters provides insight into the limits of each technique. We suggest a frequency-matching procedure that yields an upper bound for the time scale of dynamics to which the NMR relaxation experiment is sensitive.

  11. Structural characterization of a poly(methacrylic acid)-poly(methyl methacrylate) copolymer by nuclear magnetic resonance and mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Giordanengo, Remi [Universites Aix-Marseille I, II et III - CNRS, UMR 6264: Laboratoire Chimie Provence, Spectrometries Appliquees a la Chimie Structurale, F-13397 Marseille (France); Viel, Stephane [Aix-Marseille Universite - CNRS, UMR 6263: Institut des Sciences Moleculaires de Marseille, Chimiometrie et Spectrometries, F-13397 Marseille (France); Hidalgo, Manuel; Allard-Breton, Beatrice [ARKEMA, Centre de Recherche Rhone Alpes, Rue Henri Moissan, F-69493 Pierre-Benite (France); Thevand, Andre [Universites Aix-Marseille I, II et III - CNRS, UMR 6264: Laboratoire Chimie Provence, Spectrometries Appliquees a la Chimie Structurale, F-13397 Marseille (France); Charles, Laurence, E-mail: laurence.charles@univ-provence.fr [Universites Aix-Marseille I, II et III - CNRS, UMR 6264: Laboratoire Chimie Provence, Spectrometries Appliquees a la Chimie Structurale, F-13397 Marseille (France)

    2009-11-03

    Mass spectrometry (MS) and nuclear magnetic resonance (NMR) have been combined to achieve the complete microstructural characterization of a poly(methacrylic acid)-poly(methyl methacrylate) (PMAA-PMMA) copolymer synthesized by nitroxide-mediated polymerization. Various PMAA-PMMA species could be identified which mainly differ in terms of terminaisons. {sup 1}H and {sup 13}C NMR experiments revealed the structure of the end-groups as well as the proportion of each co-monomer in the copolymers. These end-group masses were further confirmed from m/z values of doubly charged copolymer anions detected in the single stage mass spectrum. In contrast, copolymer composition derived from MS data was not consistent with NMR results, obviously due to strong mass bias well known to occur during electrospray ionization of these polymeric species. Tandem mass spectrometry could reveal the random nature of the copolymer based on typical dissociation reactions, i.e., water elimination occurred from any two contiguous MAA units while MAA-MMA pairs gave rise to the loss of a methanol molecule. Polymer backbone cleavages were also observed to occur and gave low abundance fragment ions which allowed the structure of the initiating end-group to be confirmed.

  12. Solid-State Nuclear Magnetic Resonance Structural Study of the Retinal-Binding Pocket in Sodium Ion Pump Rhodopsin.

    Science.gov (United States)

    Shigeta, Arisu; Ito, Shota; Inoue, Keiichi; Okitsu, Takashi; Wada, Akimori; Kandori, Hideki; Kawamura, Izuru

    2017-01-31

    The recently identified Krokinobacter rhodopsin 2 (KR2) functions as a light-driven sodium ion pump. The structure of the retinal-binding pocket of KR2 offers important insights into the mechanisms of KR2, which has motif of Asn112, Asp116, and Gln123 (NDQ) that is common among sodium ion pump rhodopsins but is unique among other microbial rhodopsins. Here we present solid-state nuclear magnetic resonance (NMR) characterization of retinal and functionally important residues in the vicinity of retinal in the ground state. We assigned chemical shifts of retinal C14 and C20 atoms, and Tyr218Cζ, Lys255Cε, and the protonated Schiff base of KR2 in lipid environments at acidic and neutral pH. (15)N NMR signals of the protonated Schiff base showed a twist around the N-Cε bond under neutral conditions, compared with other microbial rhodopsins. These data indicated that the location of the counterion Asp116 is one helical pitch toward the cytoplasmic side. In acidic environments, the (15)N Schiff base signal was shifted to a lower field, indicating that protonation of Asp116 induces reorientation during interactions between the Schiff base and Asp116. In addition, the Tyr218 residue in the vicinity of retinal formed a weak hydrogen bond with Asp251, a temporary Na(+)-binding site during the photocycle. These features may indicate unique mechanisms of sodium ion pumps.

  13. Perturbation approach for nuclear magnetic resonance solid-state quantum computation

    Directory of Open Access Journals (Sweden)

    G. P. Berman

    2003-01-01

    Full Text Available A dynamics of a nuclear-spin quantum computer with a large number (L=1000 of qubits is considered using a perturbation approach. Small parameters are introduced and used to compute the error in an implementation of an entanglement between remote qubits, using a sequence of radio-frequency pulses. The error is computed up to the different orders of the perturbation theory and tested using exact numerical solution.

  14. Nuclear magnetic resonance study of the solution properties of the polypeptide neurotoxin I from the sea anemone Stichodactyla helianthus

    Energy Technology Data Exchange (ETDEWEB)

    Norton, R.S.; Cossins, A.I.; Kem, W.R. (Univ. of New South Wales, Kensington (Australia))

    1989-02-21

    The solution properties of the polypeptide neurotoxin I from the sea anemone Stichodactyla helianthus (Sh I) have been investigated by high-resolution H nuclear magnetic resonance (NMR) spectroscopy at 300 MHz. The pH dependence of the spectra has been examined over the range 1.1-12.2 at 27{degree}C. Individual pK{sub a} values have been obtained for the {alpha}-ammonium group of Ala-1 (8.6) and the side chains of Glu-8 (3.7), Tyr-36 (10.9), and Tyr-37 (10.8). For the remaining seven carboxyl groups in the molecule, four pK{sub a} values can be clearly identified. The five Lys residues titrate in the range 10.5-11, but individual pK{sub a} values could not be obtained because of peak overlap. Conformational changes associated with the protonation of carboxylates occur below pH 4, while in the alkaline pH range major unfolding occurs above pH 10. The molecule also unfolds at elevated temperatures. Exchange of the backbone amide protons has been monitored at various values of pH and temperature in the ranges pH 4-5 and 12-27{degree}C. Comparison of these properties of Sh I in solution with those of the related polypeptides anthopleurin A and Anemonia sulcata toxins I and II indicates that Sh I is less stable thermally and that there are some significant differences in the ionic interactions that maintain the tertiary structure. The solvent accessibility of aromatic residues has been probed with photochemically induced dynamic nuclear polarization NMR at 360 MHz.

  15. Structural studies of A-form sodium deoxyribonucleic acid: phosphorus-31 nuclear magnetic resonance of oriented fibers.

    Science.gov (United States)

    Nall, B T; Rothwell, W P; Waugh, J S; Rupprecht, A

    1981-03-31

    A highly oriented sample of A-form sodium deoxyribonucleic acid (DNA) has been investigated by using proton-enhanced 31P nuclear magnetic resonance (NMR). Proton-decoupled spectra taken with different angles between the magnetic field direction and the fiber direction are compared to theoretical spectra which are calculated by assuming the following: (1) the orientation of the phosphate groups in the fiber is given by the A-form DNA coordinates suggested by Arnott & Hukins [Arnott, S., & Hukins, D. W. L. (1972) Biochem. Biophys. Res. Commun. 47, 1504-1509]; (2) the DNA phosphate groups may be considered stationary on the NMR time scale; (3) the relevant features of the spectra are determined solely by chemical shift anisotropy of the phosphorus atoms. The experimental and calculated spectra are in excellent agreement and support the validity of the above assumptions contrary to conclusions drawn in another investigation [Shindo, H., Wooton, J. B., Pheiffer, B. H., & Zimmerman, S. B. (1980) Biochemistry 19, 518-526]. In particular, we find no evidence to support the notion of a highly irregular phosphodiester backbone. Comparison of observed and simulated spectra allows the determination of the orientation of the 31P chemical shielding tensor relative to the bonding framework of the phosphodiester group. The orientation agrees with that expected from NMR studies of phosphodiester model compounds [Kohler, S. J., & Klein, M. P. (1976) Biochemistry 15, 967-973; Herzfeld, J., Griffin, R. G., & Haberkorn, R. A. (1978) Biochemistry 17, 2711-2718] and X-ray diffraction of oriented fibers [Arnott, S., & Hukins, D. W. L. (1972) Biochem. Biophys. Res. Commun. 47, 1504-1509].

  16. A flexible automatically adaptive surface nuclear magnetic resonance modelling and inversion framework incorporating complex data and static dephasing dynamics

    Science.gov (United States)

    Irons, Trevor P.

    Surface nuclear magnetic resonance (sNMR) is the only geophysical technique that can directly and non-invasively detect the presence of subsurface liquid water. The method has established itself as valuable tool for hydrologists and groundwater managers owing to the fact that both porosity and hydraulic conductivity estimates can be made using this technique. Although sNMR has enormous potential, there are many challenges with the technique which hinder it's more widespread adoption. For these reasons sNMR has primarily been used as a 1D groundwater sounding tool, although there exist myriad other applications for a method directly sensitive to liquid water. Simultaneously inverting the entire complex dataset as well as the employment of arrays of separated transmitter and receiver coils and integration with other geophysical methods can help to overcome these limitations. This requires modelling algorithms that can accommodate a widely varying set of survey configurations and scenarios. I present the innovative use of sNMR applied to two geotechnical problems: volcanic landslide hazard characterization on Mt. Baker, Washington and the monitoring of internal erosion in earthen embankments. These applications necessitated the development of a general modelling framework capable of handling arbitrary positioned transmitter and receiver coils as well as 3D water distribution. The advantages of comprehensive (whole dataset) inversion of the entire sNMR record have been established for time-domain inversions. However, these inversions are memory intensive and struggle to fit the phase portion of the dataset-necessitating the regretful dismissal of this valuable information. I instead consider the sNMR inversion problem in the frequency-domain for the first time. There are several benefits: effectively lossless compression, and the ability to easily incorporate and solve for static dephasing dynamics caused by magnetic field inhomogeneities. This has allowed for the

  17. Dynamic nuclear polarization for magnetic resonance imaging. An in-bore approach

    Energy Technology Data Exchange (ETDEWEB)

    Krummenacker, Jan G.

    2012-07-01

    In this thesis, the development of an in-bore liquid state DNP polarizer for MRI applications operating in flow through mode at a magnetic field strength of 1.5 T was described. After an introductory chapter 1 and a chapter 2 on the theoretical background, chapter 3 dealt chiefly with the challenge of performing liquid state DNP at a high magnetic field of 9.2 T. The feasibility of performing liquid state DNP at this field was demonstrated for various solvents, as well as for metabolites in solution. Chapter 4 then moved to the aim of this work, the application of liquid state DNP for MRI experiments. It introduced the rationale of our approach, the hardware that was developed and demonstrated its performance in a clinical MRI tomograph.

  18. Application of INEPT nitrogen-15 and silicon-29 nuclear magnetic resonance spectrometry to derivatized fulvic acids

    Science.gov (United States)

    Thorn, K.A.; Folan, D.W.; Arterburn, J.B.; Mikita, M.A.; MacCarthy, P.

    1989-01-01

    Use of the INEPT experiment has been examined in two derivatization studies of the Suwannee River fulvic acid. In the first study, the fulvic acid was derivatized with 15N enriched hydroxylamine. The quantitative 15N NMR spectrum, acquired with a 45° pulse angle, 2.0 second pulse delay and inverse gated decoupling, showed that oximes (390-340 ppm) were the major derivatives, followed by nitriles (270-240 ppm), hydroxamic acids (170-160 ppm), secondary amides (150-115 ppm), and lactams (115-90 ppm). The INEPT 15N NMR spectrum was acquired using refocussing delays and polarization transfer times optimized for signal enhancement of singly protonated nitrogens. INEPT greatly enhanced the amide and lactam resonances, and showed that resonances downfield of 180 ppm in the quantitative spectrum represented nonprotonated nitrogens. In the second study, the fulvic acid was first methylated with diazomethane and then silylated with hexamethyldisilazane. The 29Si NMR spectra exhibited two major peaks, from approximately 33 to 22 ppm, representing silyl esters of carboxylic acids, and from 22 to 13 ppm, representing silyl ethers of alcohols and phenols. The INEPT 29Si NMR spectrum was virtually identical to the quantitative 29Si spectrum, acquired with a 90° pulse angle, 5.0 second pulse delay, inverse gated decoupling, and relaxation reagent. INEPT therefore can be used for quantitative analysis of trimethylsilyl derivatives of the fulvic acid, saving spectrometer time and eliminating the need for relaxation reagents.

  19. Hypothesis-driven classification of materials using nuclear magnetic resonance relaxometry

    Science.gov (United States)

    Espy, Michelle A.; Matlashov, Andrei N.; Schultz, Larry J.; Volegov, Petr L.

    2016-08-09

    Technologies related to identification of a substance in an optimized manner are provided. A reference group of known materials is identified. Each known material has known values for several classification parameters. The classification parameters comprise at least one of T.sub.1, T.sub.2, T.sub.1.rho., a relative nuclear susceptibility (RNS) of the substance, and an x-ray linear attenuation coefficient (LAC) of the substance. A measurement sequence is optimized based on at least one of a measurement cost of each of the classification parameters and an initial probability of each of the known materials in the reference group.

  20. Factors associated with successful magnetic resonance-guided focused ultrasound treatment: efficiency of acoustic energy delivery through the skull.

    Science.gov (United States)

    Chang, Won Seok; Jung, Hyun Ho; Zadicario, Eyal; Rachmilevitch, Itay; Tlusty, Tal; Vitek, Shuki; Chang, Jin Woo

    2016-02-01

    Magnetic resonance-guided focused ultrasound surgery (MRgFUS) was recently introduced as treatment for movement disorders such as essential tremor and advanced Parkinson's disease (PD). Although deep brain target lesions are successfully generated in most patients, the target area temperature fails to increase in some cases. The skull is one of the greatest barriers to ultrasonic energy transmission. The authors analyzed the skull-related factors that may have prevented an increase in target area temperatures in patients who underwent MRgFUS. The authors retrospectively reviewed data from clinical trials that involved MRgFUS for essential tremor, idiopathic PD, and obsessive-compulsive disorder. Data from 25 patients were included. The relationships between the maximal temperature during treatment and other factors, including sex, age, skull area of the sonication field, number of elements used, skull volume of the sonication field, and skull density ratio (SDR), were determined. Among the various factors, skull volume and SDR exhibited relationships with the maximum temperature. Skull volume was negatively correlated with maximal temperature (p = 0.023, r(2) = 0.206, y = 64.156 - 0.028x, whereas SDR was positively correlated with maximal temperature (p = 0.009, r(2) = 0.263, y = 49.643 + 11.832x). The other factors correlate with the maximal temperature, although some factors showed a tendency to correlate. Some skull-related factors correlated with the maximal target area temperature. Although the number of patients in the present study was relatively small, the results offer information that could guide the selection of MRgFUS candidates.

  1. Materials for Bulk Acoustic Resonators and Filters

    Science.gov (United States)

    Loebl, Hans-Peter

    2003-03-01

    Highly selective solidly mounted bulk acoustic wave (BAW) band pass filters are suited for mobile and wireless systems in the GHz frequency range between 0.8 and 10 GHz. Electro-acoustic thin film BAW resonators are the building blocks these BAW filters. Piezoelectric materials used in these resonators include mainly AlN or ZnO which can be deposited by dedicated thin film sputter deposition techniques. Using these piezo-electric materials and using suited materials for the acoustic Bragg reflector, BAW resonators with high quality factors can be fabricated. The achievable filter bandwidth is approximately 4Alternatively, also ferroelectric thin films might be used to achieve higher coupling coefficient and thus filter bandwidth. BAW resonators and filters have been designed and fabricated on 6" Silicon and glass wafers. Results are presented for resonators and filters operating between 1.95 and 8 GHz. The talk will give an overview of the material aspects which are important for BAW devices. It will be shown that modeling of the resonator and filter response using 1D electro-acoustic simulation (1,2) which includes losses is essential to extract acoustic and electrical material parameters. (1) Solidly Mounted Bulk Acoustic Wave Filters for the Ghz Frequency Range, H.P. Loebl, C. Metzmacher , D.N.Peligrad , R. Mauczok , M. Klee , W. Brand , R.F. Milsom , P.Lok , F.van Straten , A. Tuinhout , J.W.Lobeek, IEEE 2002 Ultrasonics Symposium Munich, October 2002. (2) Combined Acoustic-Electromagnetic Simulation Of Thin-Film Bulk Acoustic Wave Filters, R.F. Milsom, H-P. Löbl, D.N. Peligrad, J-W. Lobeek, A. Tuinhout, R. H. ten Dolle IEEE 2002 Ultrasonics Symposium Munich, October 2002.

  2. Nuclear Magnetic Resonance Studies of Rare Earth co-doped Lanthanum Cuprates

    OpenAIRE

    Grafe, Hans-Joachim

    2005-01-01

    The work described in this thesis uses oxygen NMR to probe the electronic system of rare earth co-doped La_{2-x}Sr_xCuO_4, the prototypical high temperature superconducting cuprate (HTSC). Oxygen NMR turns out to be a powerful tool for this purpose. The nucleus is located directly inside the CuO_2 planes. It has a spin of 5/2 and a quadrupole moment and therefore can probe both, interactions with the magnetic hyperfine field as well as interactions through the electric field gradient of the c...

  3. Probing hydrogen in ZnO nanorods using solid-state 1H nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Li Q.; Exarhos, Gregory J.; Windisch, Charles F.; Yao, Chunhua; Pederson, Larry R.; Zhou, Xiao Dong

    2007-04-23

    We have developed a low-temperature reflux method to synthesize large quantities of well-dispersed free-standing ZnO nanorods using a simple and mild aqueous solution route. In this approach, different surfactants were used to control nanostructure morphologies. Bound proton states in these ZnO nanorods were characterized for the first time by high resolution solid-state 1H magic angle spinning (MAS) NMR. In contrast to commercially available ZnO nano- or micro-particles, our uniform ZnO nanorods show a surprisingly sharp 1H NMR resonance. The feature is maintained upon heating to 500 oC, which suggests that an unusually stable proton species exists, most likely associated with lattice defects within the ZnO framework. Work here has demonstrated a new approach for probing a small amount of proton species associated with defects in nano-crystalline solids using high resolution solid-state 1H MAS NMR.

  4. Magnetic Resonance Safety

    OpenAIRE

    Sammet, Steffen

    2016-01-01

    Magnetic Resonance Imaging (MRI) has a superior soft-tissue contrast compared to other radiological imaging modalities and its physiological and functional applications have led to a significant increase in MRI scans worldwide. A comprehensive MRI safety training to protect patients and other healthcare workers from potential bio-effects and risks of the magnetic fields in an MRI suite is therefore essential. The knowledge of the purpose of safety zones in an MRI suite as well as MRI appropri...

  5. Field experiment provides ground truth for surface nuclear magnetic resonance measurement

    Science.gov (United States)

    Knight, R.; Grunewald, E.; Irons, T.; Dlubac, K.; Song, Y.; Bachman, H.N.; Grau, B.; Walsh, D.; Abraham, J.D.; Cannia, J.

    2012-01-01

    The need for sustainable management of fresh water resources is one of the great challenges of the 21st century. Since most of the planet's liquid fresh water exists as groundwater, it is essential to develop non-invasive geophysical techniques to characterize groundwater aquifers. A field experiment was conducted in the High Plains Aquifer, central United States, to explore the mechanisms governing the non-invasive Surface NMR (SNMR) technology. We acquired both SNMR data and logging NMR data at a field site, along with lithology information from drill cuttings. This allowed us to directly compare the NMR relaxation parameter measured during logging,T2, to the relaxation parameter T2* measured using the SNMR method. The latter can be affected by inhomogeneity in the magnetic field, thus obscuring the link between the NMR relaxation parameter and the hydraulic conductivity of the geologic material. When the logging T2data were transformed to pseudo-T2* data, by accounting for inhomogeneity in the magnetic field and instrument dead time, we found good agreement with T2* obtained from the SNMR measurement. These results, combined with the additional information about lithology at the site, allowed us to delineate the physical mechanisms governing the SNMR measurement. Such understanding is a critical step in developing SNMR as a reliable geophysical method for the assessment of groundwater resources.

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

    Science.gov (United States)

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

    1988-01-01

    Bark samples isolated from brown coal deposits in Victoria, Australia, and buried wood from Rhizophora mangle have been studies by high-resolution solid-state nuclear magnetic resonance (NMR) techniques. Dipolar dephasing 13C NMR appears to be a useful method of detecting the presence of tannins in geochemical samples including barks, buried woods, peats and leaf litter. It is shown that tannins are selectively preserved in bark during coalification to the brown coal stage. ?? 1988.

  7. Use of 31P nuclear magnetic resonance spectroscopy and 14C fluorography in studies of glycolysis and regulation of pyruvate kinase in Streptococcus lactis.

    OpenAIRE

    Thompson, J.; Torchia, D A

    1984-01-01

    High-resolution 31P nuclear magnetic resonance spectroscopy and 14C fluorography have been used to identify and quantitate intermediates of the Embden-Meyerhof pathway in intact cells and cell extracts of Streptococcus lactis. Glycolysing cells contained high levels of fructose 1,6-bisphosphate (a positive effector of pyruvate kinase) but comparatively low concentrations of other glycolytic metabolites. By contrast, starved organisms contained only high levels of 3-phosphoglycerate, 2-phospho...

  8. Influence of Acoustic Overstimulation on the Central Auditory System: An Functional Magnetic Resonance Imaging (fMRI) Study.

    Science.gov (United States)

    Wolak, Tomasz; Cieśla, Katarzyna; Rusiniak, Mateusz; Piłka, Adam; Lewandowska, Monika; Pluta, Agnieszka; Skarżyński, Henryk; Skarżyński, Piotr H

    2016-11-28

    BACKGROUND The goal of the fMRI experiment was to explore the involvement of central auditory structures in pathomechanisms of a behaviorally manifested auditory temporary threshold shift in humans. MATERIAL AND METHODS The material included 18 healthy volunteers with normal hearing. Subjects in the exposure group were presented with 15 min of binaural acoustic overstimulation of narrowband noise (3 kHz central frequency) at 95 dB(A). The control group was not exposed to noise but instead relaxed in silence. Auditory fMRI was performed in 1 session before and 3 sessions after acoustic overstimulation and involved 3.5-4.5 kHz sweeps. RESULTS The outcomes of the study indicate a possible effect of acoustic overstimulation on central processing, with decreased brain responses to auditory stimulation up to 20 min after exposure to noise. The effect can be seen already in the primary auditory cortex. Decreased BOLD signal change can be due to increased excitation thresholds and/or increased spontaneous activity of auditory neurons throughout the auditory system. CONCLUSIONS The trial shows that fMRI can be a valuable tool in acoustic overstimulation studies but has to be used with caution and considered complimentary to audiological measures. Further methodological improvements are needed to distinguish the effects of TTS and neuronal habituation to repetitive stimulation.

  9. Pharmaceutical polymorphism. An investigation using solid-state nuclear magnetic resonance spectroscopy

    CERN Document Server

    Campbell, S C

    1998-01-01

    evaluated through the course of this Ph.D. and solid-state NMR spectral editing techniques have been developed and applied to identify these phenomena. Recrystallisation studies have produced two samples that appear to exist in an intermediate state between the rigid and mobile structural limits. Temperature variation causes interesting changes in the relaxation characteristics and natural abundance sup 1 sup 5 N and sup 1 sup 3 C CP/MAS spectra. Residual dipolar coupling effects vary in their manifestation within the sup 1 sup 3 C CP/MAS spectra of the polymorphic systems studied and comparison with the literature yields important information regarding molecular conformation. Nitrogen-15 enrichment and operation at higher magnetic field have been applied to reduce these second order effects. Finally, some distance has been travelled along the path towards decoupling sup 1 sup 4 N. Future development of this technique holds potential for resolution enhancement in the solid state spectra of most naturally occu...

  10. Covalency of hydrogen bonds in liquid water can be probed by proton nuclear magnetic resonance experiments.

    Science.gov (United States)

    Elgabarty, Hossam; Khaliullin, Rustam Z; Kühne, Thomas D

    2015-09-15

    The concept of covalency is widely used to describe the nature of intermolecular bonds, to explain their spectroscopic features and to rationalize their chemical behaviour. Unfortunately, the degree of covalency of an intermolecular bond cannot be directly measured in an experiment. Here we established a simple quantitative relationship between the calculated covalency of hydrogen bonds in liquid water and the anisotropy of the proton magnetic shielding tensor that can be measured experimentally. This relationship enabled us to quantify the degree of covalency of hydrogen bonds in liquid water using the experimentally measured anisotropy. We estimated that the amount of electron density transferred between molecules is on the order of 10  m while the stabilization energy due to this charge transfer is ∼15 kJ mol(-1). The physical insight into the fundamental nature of hydrogen bonding provided in this work will facilitate new studies of intermolecular bonding in a variety of molecular systems.

  11. Physical properties of ? polymer electrolytes: nuclear magnetic resonance investigation and comparison with ?

    Science.gov (United States)

    Roux, C.; Gorecki, W.; Sanchez, J.-Y.; Jeannin, M.; Belorizky, E.

    1996-09-01

    The physical properties of the ionic conductor 0953-8984/8/38/005/img11, obtained by dissolution of lithium trifluoromethanesulphonylimide in poly(propylene oxide), have been investigated for several values of n. The glass transition temperature 0953-8984/8/38/005/img12 has been established from both DSC and NMR techniques. The diffusion coefficients of 0953-8984/8/38/005/img13-containing species have been determined by the pulsed magnetic field gradient technique. The behaviour of the proton relaxation time 0953-8984/8/38/005/img14 versus temperature and concentration has been correlated to the glass temperature. The behaviour of the proton transverse relaxation function, obtained by the spin-echo technique, has been interpreted using a simple model in which two regimes and consequently two transverse relaxation times coexist and are assigned to the `entangled' and `non-entangled' parts of the high-molecular-weight polymer chains investigated.

  12. Pseudosolid nuclear magnetic resonance approach to poly(ethylene-oxide) chain dynamics in the melt

    Science.gov (United States)

    Guillermo, Armel; Addad, Jean-Pierre Cohen; Bytchenkoff, Dimitri

    2000-09-01

    Residual spin-spin interactions of protons attached to highly entangled chains in molten polymers give rise to a time reversal effect detected from solidlike spin-echoes formed from the transverse magnetization. The quantitative analysis of such pseudosolid spin-echoes, observed on molten poly(ethylene-oxide), reveals that the transverse relaxation curve is the product of two contributions: MxR(t), mainly sensitive to the existence of a temporary network and ΦR(t) arising from fast anisotropic segmental motions which give rise to residual spin-spin interactions. It is shown that the analysis provides a suitable method for distinguishing the two components from each other. The molecular weight was varied over the range 12-450 K. The description of MxR(t) is based on the assumption that there exists two stochastically independent effects. In accordance with a previous study [J. P. Cohen Addad and A. Guillermo, J. Chem. Phys. 111, 7131 (1999)], the first process is interpreted in terms of exponential relaxation modes resulting from the partition of one chain into Gaussian submolecules. In addition to the effect of long-range fluctuations on the magnetization, an orientational memory effect is introduced along the chain. The proposed relaxation function accounts for the very specific shapes of both the experimental curves and of the ln(MxR(t))/t plots; the minimum number of parameters required to describe such complex curves is 4. The analysis provides a coherent set of numerical values: the mean square spin-spin interaction and the correlation time τs, assigned to one submolecule are equal to 5×105(rad s-1)2 and 0.002 s, respectively. Proton relaxation rates of end submolecules (≈70 s-1) and of short free chains (12 K) in the melt (≈20 s-1) have about the same order of magnitude. 2000 American Institute of Physics.

  13. DIFFERENTIATION OFAURANTII FRUCTUS IMMATURUSANDFRUCTUS PONICIRI TRIFOLIATAE IMMATURUSBY FLOW-INJECTION WITH ULTRAVIOLET SPECTROSCOPIC DETECTION AND PROTON NUCLEAR MAGNETIC RESONANCE USING PARTIAL LEAST-SQUARES DISCRIMINANT ANALYSIS.

    Science.gov (United States)

    Zhang, Mengliang; Zhao, Yang; Harrington, Peter de B; Chen, Pei

    2016-03-01

    Two simple fingerprinting methods, flow-injection coupled to ultraviolet spectroscopy and proton nuclear magnetic resonance, were used for discriminating between Aurantii fructus immaturus and Fructus poniciri trifoliatae immaturus . Both methods were combined with partial least-squares discriminant analysis. In the flow-injection method, four data representations were evaluated: total ultraviolet absorbance chromatograms, averaged ultraviolet spectra, absorbance at 193, 205, 225, and 283 nm, and absorbance at 225 and 283 nm. Prediction rates of 100% were achieved for all data representations by partial least-squares discriminant analysis using leave-one-sample-out cross-validation. The prediction rate for the proton nuclear magnetic resonance data by partial least-squares discriminant analysis with leave-one-sample-out cross-validation was also 100%. A new validation set of data was collected by flow-injection with ultraviolet spectroscopic detection two weeks later and predicted by partial least-squares discriminant analysis models constructed by the initial data representations with no parameter changes. The classification rates were 95% with the total ultraviolet absorbance chromatograms datasets and 100% with the other three datasets. Flow-injection with ultraviolet detection and proton nuclear magnetic resonance are simple, high throughput, and low-cost methods for discrimination studies.

  14. Combined passive acoustic mapping and magnetic resonance thermometry for monitoring phase-shift nanoemulsion enhanced focused ultrasound therapy

    Science.gov (United States)

    Crake, Calum; Meral, F. Can; Burgess, Mark T.; Papademetriou, Iason T.; McDannold, Nathan J.; Porter, Tyrone M.

    2017-08-01

    Focused ultrasound (FUS) has the potential to enable precise, image-guided noninvasive surgery for the treatment of cancer in which tumors are identified and destroyed in a single integrated procedure. However, success of the method in highly vascular organs has been limited due to heat losses to perfusion, requiring development of techniques to locally enhance energy absorption and heating. In addition, FUS procedures are conventionally monitored using MRI, which provides excellent anatomical images and can map temperature, but is not capable of capturing the full gamut of available data such as the acoustic emissions generated during this inherently acoustically-driven procedure. Here, we employed phase-shift nanoemulsions (PSNE) embedded in tissue phantoms to promote cavitation and hence temperature rise induced by FUS. In addition, we incorporated passive acoustic mapping (PAM) alongside simultaneous MR thermometry in order to visualize both acoustic emissions and temperature rise, within the bore of a full scale clinical MRI scanner. Focal cavitation of PSNE could be resolved using PAM and resulted in accelerated heating and increased the maximum elevated temperature measured via MR thermometry compared to experiments without nanoemulsions. Over time, the simultaneously acquired acoustic and temperature maps show translation of the focus of activity towards the FUS transducer, and the magnitude of the increase in cavitation and focal shift both increased with nanoemulsion concentration. PAM results were well correlated with MRI thermometry and demonstrated greater sensitivity, with the ability to detect cavitation before enhanced heating was observed. The results suggest that PSNE could be beneficial for enhancement of thermal focused ultrasound therapies and that PAM could be a critical tool for monitoring this process.

  15. Experimental evidence for the role of cross-relaxation in proton nuclear magnetic resonance spin lattice relaxation time measurements in proteins.

    Science.gov (United States)

    Sykes, B D; Hull, W E; Snyder, G H

    1978-02-01

    Proton nuclear magnetic resonance (NMR) spin lattice relaxation time (T1) and spin-spin relaxation time (T2) measurements are presented for a number of proteins with molecular weights spanning the range of 6,500-150,000 daltons. These measurements provide experimental evidence for the role of cross-relaxation in 1H NMR T1 measurements in proteins. The relationship between these measurements and the theory recently presented by Kalk and Berendsen is discussed. The results indicate that cross-relaxation dominates the T1 measurements for the larger proteins, even at relatively low resonance frequencies such as 100 MHz.

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

    Science.gov (United States)

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

    2017-11-13

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

  17. Classification of materials using nuclear magnetic resonance dispersion and/or x-ray absorption

    Science.gov (United States)

    Espy, Michelle A.; Matlashov, Andrei N.; Schultz, Larry J.; Volegov, Petr L.; Urbaitis, Algis; Sandin, Henrik; Yoder, Jacob; Surko, Stephen

    2017-01-31

    Methods for determining the identity of a substance are provided. A classification parameter set is defined to allow identification of substances that previously could not be identified or to allow identification of substances with a higher degree of confidence. The classification parameter set may include at least one of relative nuclear susceptibility (RNS) or an x-ray linear attenuation coefficient (LAC). RNS represents the density of hydrogen nuclei present in a substance relative to the density of hydrogen nuclei present in water. The extended classification parameter set may include T.sub.1, T.sub.2, and/or T.sub.1.rho. as well as at least one additional classification parameter comprising one of RNS or LAC. Values obtained for additional classification parameters as well as values obtained for T.sub.1, T.sub.2, and T.sub.1.rho. can be compared to known classification parameter values to determine whether a particular substance is a known material.

  18. Nuclear magnetic resonance spectroscopic investigation of anode exhaust of direct methanol fuel cells without isotope enrichment

    Energy Technology Data Exchange (ETDEWEB)

    Byun, Young Seok; Hwang, Reo Yun; Han, Ochee [Western Seoul Center, Korea Basic Science Institute, Seoul (Korea, Republic of)

    2016-12-15

    Fuel cells are devices that electrochemically convert the chemical energy of fuels such as natural gas, gasoline, and methanol, into electricity. Fuel cells more efficiently use energy than internal combustion engines and do not produce undesirable pollutants, such as NO{sub x} ,SO{sub x} and particulates. Fuel cells can be distinguished from one another by their electrolytes. Among the various direct alcohol fuel cells, direct methanol fuel cells (DMFCs) have been developed most. However, DMFCs have several practical problems such as methanol crossove r from an anode to a cathode and slow methanol oxidation reaction rates. Therefore, understanding the electrochemical reaction mechanisms of DMFCs may provide clues to solve these problems, and various analytical methods have been employed to examine these mechanisms. We demonstrated that {sup 1}H and {sup 13}C NMR spectroscopy can be used for analyzing anode exhausts of DMFCs operated with methanol without any isotope enrichment. However, the low sensitivity of NMR spectroscopy hindered our efforts to detect minor reaction intermediates. Therefore, sensitivity enhancement techniques such as dynamic nuclear polarization (DNP) NMR methods and/or presaturation methods to increase the dynamic range of the proton spectra by pre-saturating large water signals, are expected to be useful to detect low-concentration species.

  19. Acoustic Resonance between Ground and Thermosphere

    Directory of Open Access Journals (Sweden)

    M Matsumura

    2009-04-01

    Full Text Available Ultra-low frequency acoustic waves called "acoustic gravity waves" or "infrasounds" are theoretically expected to resonate between the ground and the thermosphere. This resonance is a very important phenomenon causing the coupling of the solid Earth, neutral atmosphere, and ionospheric plasma. This acoustic resonance, however, has not been confirmed by direct observations. In this study, atmospheric perturbations on the ground and ionospheric disturbances were observed and compared with each other to confirm the existence of resonance. Atmospheric perturbations were observed with a barometer, and ionospheric disturbances were observed using the HF Doppler method. An end point of resonance is in the ionosphere, where conductivity is high and the dynamo effect occurs. Thus, geomagnetic observation is also useful, so the geomagnetic data were compared with other data. Power spectral density was calculated and averaged for each month. Peaks appeared at the theoretically expected resonance frequencies in the pressure and HF Doppler data. The frequencies of the peaks varied with the seasons. This is probably because the vertical temperature profile of the atmosphere varies with the seasons, as does the reflection height of infrasounds. These results indicate that acoustic resonance occurs frequently.

  20. Functional Magnetic Resonance Imaging

    Science.gov (United States)

    Voos, Avery; Pelphrey, Kevin

    2013-01-01

    Functional magnetic resonance imaging (fMRI), with its excellent spatial resolution and ability to visualize networks of neuroanatomical structures involved in complex information processing, has become the dominant technique for the study of brain function and its development. The accessibility of in-vivo pediatric brain-imaging techniques…

  1. Natural-abundance 13C nuclear-magnetic-resonance study of toxin II from Anemonia sulcata.

    Science.gov (United States)

    Norton, R S; Zwick, J; Béress, L

    1980-12-01

    Natural-abundance 13C NMR spectra (at 15.04 MHz) of the polypeptide toxin II from the sea anemone Anemonia sulcata have been analysed and compared with corresponding spectra reported recently for a closely related polypeptide anthopleurin A. The spectra contain many resolved one-carbon and two-carbon resonances from carbonyl, aromatic and methyl carbons, many of which have been assigned to individual carbons in the molecule on the basis of their chemical shifts, including their pH dependence, and by comparison with the 13C NMR spectrum of anthopleurin A. Analysis of the effects of pH on the spectrum yields estimates for the pKa values of a number of functional groups in the molecule, as follows: side-chain carboxylates of the two aspartic acid residues 2 and 3.1; COOH-terminal carboxylic acid, 3.5; imidazolium moieties of the two histidine residues, 6.7 and 7.6 NH2-terminal ammonium, 8. The similarity between the pKa values of these functional groups in toxin II and those of corresponding groups in anthopleurin A, together with the close agreement between chemical shifts of conserved carbons, indicates that many local interactions are nearly identical in the two molecules, and thus supports the thesis that their overall conformations in solution are similar. However, the local interactions involving one of the aspartic acid residues are altered in toxin II. Together with other data, this leads to a proposal for the site in these two molecules which is responsible for their cardiac stimulatory activity.

  2. Nuclear magnetic resonance in urologic malignant diseases, 2. Evaluation in prostatic carcinoma

    Energy Technology Data Exchange (ETDEWEB)

    Torii, Shinichiro; Machida, Toyohei; Miki, Makoto; Yanagisawa, Munetoshi; Tada, Shinpei; Hata, Yuuichi (Jikei Univ., Tokyo (Japan). School of Medicine)

    1984-11-01

    Experience and evaluation of NMR imaging of the ten patients with prostatic carcinoma were reported. The NMR imager, Toshiba model MRT 15A with magnet of 1500 gauss, was used. Images were produced in transverse, coronal and sagittal directions with different repetition times, delay times and echo times. T/sub 1/ value over regions of the prostatic cancer was measured and compared with the value of the benign prostate hypertrophy. In all cases there was high inherent contrast differentiation of prostate gland, pelvic fat, urine in the bladder and gas in the bowel. The characteristic images of the prostatic cancer were demonstrated. The differentiation of prostatic cancer from benign prostate hypertrophy was not made distinctly by the intensity of the images. But the T/sub 1/ value suggested the feasibility of the differentiation between the prostatic cancer and the benign prostate hypertrophy. The blood flow information on NMR images provided useful diagnostic information in evaluating vascular lesions or lymphatic involvement. The ability to display in sagittal and coronal planes in addition to the transverse plane is of very distinct advantage, allows accurate volumetric measurements and delineates the extent of the disease much more precisely than transverse scan alone. In our experience is confirmed when larger numbers of patients are imaged, NMR imaging will assume a prominent role in the clinical evaluation of cancer of the prostate.

  3. Children's (Pediatric) Magnetic Resonance Imaging

    Medline Plus

    Full Text Available ... information on the chemicals present in the body's cells, may also be performed during the MRI exam ... and Media Catheter Angiography Magnetic Resonance, Functional (fMRI) - Brain Children's (Pediatric) CT (Computed Tomography) Magnetic Resonance Imaging ( ...

  4. Magnetic Resonance Imaging (MRI) Safety

    Science.gov (United States)

    ... News Physician Resources Professions Site Index A-Z Magnetic Resonance Imaging (MRI) Safety What is MRI and how does it ... and MRI Breast-feeding and MRI What is MRI and how does it work? Magnetic resonance imaging, ...

  5. Magnetic Resonance Imaging (MRI) -- Head

    Medline Plus

    Full Text Available ... content. Related Articles and Media MR Angiography (MRA) Magnetic Resonance, Functional (fMRI) - Brain Head and Neck Cancer Treatment Brain Tumor Treatment Magnetic Resonance Imaging (MRI) Safety Alzheimer's Disease Head Injury Brain ...

  6. Children's (Pediatric) Magnetic Resonance Imaging

    Medline Plus

    Full Text Available ... the same effect. A very irregular heartbeat may affect the quality of images obtained using techniques that ... and Media Catheter Angiography Magnetic Resonance, Functional (fMRI) - Brain Children's (Pediatric) CT (Computed Tomography) Magnetic Resonance Imaging ( ...

  7. Magnetic Resonance Imaging (MRI) -- Head

    Medline Plus

    Full Text Available ... Articles and Media MR Angiography (MRA) Magnetic Resonance, Functional (fMRI) - Brain Head and Neck Cancer Treatment Brain Tumor Treatment Magnetic Resonance Imaging (MRI) Safety Alzheimer's Disease Head Injury Brain Tumors Images related to ...

  8. Magnetic Resonance Imaging (MRI) -- Head

    Medline Plus

    Full Text Available ... data suggest that it is safe to continue breastfeeding after receiving intravenous contrast. For further information please ... Magnetic Resonance Imaging (MRI) Safety Alzheimer's Disease Head Injury Brain Tumors Images related to Magnetic Resonance Imaging ( ...

  9. Magnetic Resonance Imaging (MRI) -- Head

    Medline Plus

    Full Text Available ... for Brain Tumors Radiation Therapy for Head and Neck Cancer Others : American Stroke Association National Stroke Association ... MRA) Magnetic Resonance, Functional (fMRI) - Brain Head and Neck Cancer Treatment Brain Tumor Treatment Magnetic Resonance Imaging ( ...

  10. Magnetic Resonance Imaging (MRI) -- Head

    Medline Plus

    Full Text Available ... may sense a temporary metallic taste in their mouth after the contrast injection. If you do not ... Magnetic Resonance Imaging (MRI) Safety Alzheimer's Disease Head Injury Brain Tumors Images related to Magnetic Resonance Imaging ( ...

  11. Development and optimization of resonators and ways of detection in nuclear magnetic resonance; Entwicklung und Optimierung von Resonatoren und Detektionsverfahren in der magnetischen Kernspinresonanz

    Energy Technology Data Exchange (ETDEWEB)

    Behr, Volker Christian

    2008-08-13

    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.

  12. Determination of avermectins by the internal standard recovery correction - high performance liquid chromatography - quantitative Nuclear Magnetic Resonance method.

    Science.gov (United States)

    Zhang, Wei; Huang, Ting; Li, Hongmei; Dai, Xinhua; Quan, Can; He, Yajuan

    2017-09-01

    Quantitative Nuclear Magnetic Resonance (qNMR) is widely used to determine the purity of organic compounds. For the compounds with lower purity especially molecular weight more than 500, qNMR is at risk of error for the purity, because the impurity peaks are likely to be incompletely separated from the peak of major component. In this study, an offline ISRC-HPLC-qNMR (internal standard recovery correction - high performance liquid chromatography - qNMR) was developed to overcome this problem. It is accurate by excluding the influence of impurity; it is low-cost by using common mobile phase; and it extends the applicable scope of qNMR. In this method, a mix solution of the sample and an internal standard was separated by HPLC with common mobile phases, and only the eluents of the analyte and the internal standard were collected in the same tube. After evaporation and re-dissolution, it was determined by qNMR. A recovery correction factor was determined by comparison of the solutions before and after these procedures. After correction, the mass fraction of analyte was constant and it was accurate and precise, even though the sample loss varied during these procedures, or even in bad resolution of HPLC. Avermectin B1a with the purity of ~93% and the molecular weight of 873 was analyzed. Moreover, the homologues of avermectin B1a were determined based on the identification and quantitative analysis by tandem mass spectrometry and HPLC, and the results were consistent with the results of traditional mass balance method. The result showed that the method could be widely used for the organic compounds, and could further promote qNMR to become a primary method in the international metrological systems. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Solid-state nuclear magnetic resonance study of acetone oxime adsorbed on CuZSM-5 and on HZSM-5

    Energy Technology Data Exchange (ETDEWEB)

    Wu, J.; Larsen, S.C. [Univ. of Iowa, Iowa City, IA (United States). Dept. of Chemistry

    1999-02-15

    The reactions of acetone oxime, a proposed reaction intermediate for the selective catalytic reduction (SCR) of NO with propane on CuZSM-5 and on HZSM-5, have been studied with {sup 13}C and {sup 15}N solid-state magic-angle spinning nuclear magnetic resonance (MAS NMR). The carbon- and/or nitrogen-containing surface species, as well as the products formed under conditions of thermodynamic equilibrium, have been monitored and identified. In the absence of NO and after heating to 150--200 C, the main hydrolysis products of adsorbed acetone oxime on CuZSM-5 are acetone and hydroxylamine, while the main hydrolysis products on HZSM-5 are acetic acid and methylamine. In addition, N{sub 2} and N{sub 2}O are formed from acetone oxime adsorbed on both HZSM-5 and CuZSM-5. In the presence of {sup 15}NO, the observation of mixed-labeled {sup 14}N{sup 15}NO and {sup 15N}{sup 14}NO shows that new N-N bonds are formed over CuZSM-5 and HZSM-5 between two different nitrogen atoms: one from gaseous {sup 15}NO molecules and the other from adsorbed acetone oxime and/or acetone oxime hydrolysis products. When {sup 15}NO and unlabeled acetone oxime are reacted on CuZSM-5, the {sup 14}N{sup 15}NO/{sup 15}N{sup 14}NO ratio is approximately 3, suggesting that the NO bond of gas-phase NO remains intact when it reacts with acetone oxime to form N{sub 2}O. It is also found that the formation of new N-N bonds from the reaction of NO and acetone oxime occurs at room temperature on CuZSM-5, but not until {approximately}150 C on HZSM-5.

  14. Effects of temperature on Rb and 129Xe spin polarization in a nuclear magnetic resonance gyroscope with low pump power

    Science.gov (United States)

    Chen, Linlin; Zhou, Binquan; Lei, Guanqun; Wu, Wenfeng; Zhai, Yueyang; Wang, Zhuo; Fang, Jiancheng

    2017-11-01

    We propose an average Rb polarization model to analyze the influence of temperature on the spin polarization of Rb and 129Xe in a Nuclear Magnetic Resonance Gyroscope (NMRG) with low pump power. This model is essentially based on summing the Rb spin polarization along the direction of the pump beam and dividing the result by the cell length. We experimentally study the spin polarization of Rb and 129Xe atoms as a function of the cell temperature at low values of the pump power. The experimental results and the values calculated with the average Rb polarization model are in good agreement for both Rb and 129Xe. The spin polarization of Rb atoms decreases with increasing cell temperature, with a decreasing trend which is rapid at temperatures below 110 °C, and slower at temperatures above 110 °C. The experimental values of the 129Xe polarization, obtained with a pump power of 1 mW, first increase to a maximum P129X e-ave = 0.66 % at 118 °C, and then decreases as the temperature increases. Increasing the power of the pump beam shifts the temperature maximum to a higher value. Our model is suitable for the analysis of Rb and 129Xe polarization at high temperature and low pump power, i.e. when the power of the pump beam is completely absorbed within a few millimeters of the front window of the cell. Therefore, the present model can provide theoretical support for the improvement of the Signal-to-Noise-Ratio (SNR) of the NMRG, and to determine its optimal working temperature.

  15. Calibration of near infrared spectroscopy for solid fat content of fat blends analysis using nuclear magnetic resonance data

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, J.C. [Instituto de Investigacao Cientifica Tropical, Grupo Florestal e dos Produtos Florestais, ISA/DEF, Tapada da Ajuda, 1349-017 Lisbon (Portugal); Nascimento, A.C. [Instituto Superior de Agronomia, DAIAT, Dep. Agro-Industrias, Centro de Estudos Agro-Alimentares, Tapada da Ajuda, 1349-017 Lisbon (Portugal); Alves, A. [Instituto Superior de Agronomia, DEF, Centro de Estudos Florestais, Tapada da Ajuda, 1349-017 Lisbon (Portugal); Osorio, N.M. [Instituto Superior de Agronomia, DAIAT, Dep. Agro-Industrias, Centro de Estudos Agro-Alimentares, Tapada da Ajuda, 1349-017 Lisbon (Portugal); Pires, A.S. [Instituto Superior Tecnico, Centro de Engenharia Biologica e Quimica, Av. Rovisco Pais, 1049-001 Lisbon (Portugal); Gusma o, J.H. [FIMA/VG, Marinhas de Dom Pedro, 2695-361 Santa Iria de Azoia (Portugal); Fonseca, M.M.R. da [Instituto Superior Tecnico, Centro de Engenharia Biologica e Quimica, Av. Rovisco Pais, 1049-001 Lisbon (Portugal); Ferreira-Dias, S. [Instituto Superior de Agronomia, DAIAT, Dep. Agro-Industrias, Centro de Estudos Agro-Alimentares, Tapada da Ajuda, 1349-017 Lisbon (Portugal)]. E-mail: suzanafdias@mail.telepac.pt

    2005-07-15

    The functional properties of fats are determined by the distribution pattern of fatty acid residues in their acylglycerols, which may be modified by ester interchange (transesterification). In the margarine industry, the time course of the transesterification of fat blends is monitored by assaying for the amount of the solid fraction at different temperatures (SFC-solid fat content) currently measured by nuclear magnetic resonance (NMR). The aim of this study was to evaluate the feasibility of near infrared spectroscopy (NIRS) to quantify the SFC of different fat blends using NMR data for calibration. SFC values of 128 samples, consisting of different blends of palm stearin, palm kernel oil and concentrates of triglycerides enriched with {omega}-3 polyunsaturated fatty acids were assayed by NMR prior to (64 samples) and following inorganic (10 samples) or lipase-catalysed transesterification (54 samples). Prior to SFC measurement by NMR, sample preparation takes about 90 min. With NIRS technique, a faster determination is achieved since NIR spectra for SFC estimations are directly obtained on the sample at room temperature. High correlations were obtained for cross-validation of the data estimated by NIRS models and NMR for SFC assays at 10 deg. C (R {sup 2} = 0.91, RMSECV = 2.4), 20 deg. C (R {sup 2} = 0.96, RMSECV 1.7), 30 deg. C (R {sup 2} = 0.96, RMSECV = 1.3) and 35 deg. C (R {sup 2} = 0.96, RMSECV = 1.3) of the different blends tested. The obtained results show that NIRS is a reliable technique to replace NMR for SFC estimation.

  16. A phytochemical comparison of saw palmetto products using gas chromatography and (1) H nuclear magnetic resonance spectroscopy metabolomic profiling.

    Science.gov (United States)

    Booker, Anthony; Suter, Andy; Krnjic, Ana; Strassel, Brigitte; Zloh, Mire; Said, Mazlina; Heinrich, Michael

    2014-06-01

    Preparations containing saw palmetto berries are used in the treatment of benign prostatic hyperplasia (BPH). There are many products on the market, and relatively little is known about their chemical variability and specifically the composition and quality of different saw palmetto products notwithstanding that in 2000, an international consultation paper from the major urological associations from the five continents on treatments for BPH demanded further research on this topic. Here, we compare two analytical approaches and characterise 57 different saw palmetto products. An established method - gas chromatography - was used for the quantification of nine fatty acids, while a novel approach of metabolomic profiling using (1) H nuclear magnetic resonance (NMR) spectroscopy was used as a fingerprinting tool to assess the overall composition of the extracts. The phytochemical analysis determining the fatty acids showed a high level of heterogeneity of the different products in the total amount and of nine single fatty acids. A robust and reproducible (1) H NMR spectroscopy method was established, and the results showed that it was possible to statistically differentiate between saw palmetto products that had been extracted under different conditions but not between products that used a similar extraction method. Principal component analysis was able to determine those products that had significantly different metabolites. The metabolomic approach developed offers novel opportunities for quality control along the value chain of saw palmetto and needs to be followed further, as with this method, the complexity of a herbal extract can be better assessed than with the analysis of a single group of constituents. © 2014 The Authors. Journal of Pharmacy and Pharmacology published by John Wiley & Sons Ltd on behalf of Royal Pharmaceutical Society.

  17. A phytochemical comparison of saw palmetto products using gas chromatography and 1H nuclear magnetic resonance spectroscopy metabolomic profiling

    Science.gov (United States)

    Booker, Anthony; Suter, Andy; Krnjic, Ana; Strassel, Brigitte; Zloh, Mire; Said, Mazlina; Heinrich, Michael

    2014-01-01

    Objectives Preparations containing saw palmetto berries are used in the treatment of benign prostatic hyperplasia (BPH). There are many products on the market, and relatively little is known about their chemical variability and specifically the composition and quality of different saw palmetto products notwithstanding that in 2000, an international consultation paper from the major urological associations from the five continents on treatments for BPH demanded further research on this topic. Here, we compare two analytical approaches and characterise 57 different saw palmetto products. Methods An established method – gas chromatography – was used for the quantification of nine fatty acids, while a novel approach of metabolomic profiling using 1H nuclear magnetic resonance (NMR) spectroscopy was used as a fingerprinting tool to assess the overall composition of the extracts. Key findings The phytochemical analysis determining the fatty acids showed a high level of heterogeneity of the different products in the total amount and of nine single fatty acids. A robust and reproducible 1H NMR spectroscopy method was established, and the results showed that it was possible to statistically differentiate between saw palmetto products that had been extracted under different conditions but not between products that used a similar extraction method. Principal component analysis was able to determine those products that had significantly different metabolites. Conclusions The metabolomic approach developed offers novel opportunities for quality control along the value chain of saw palmetto and needs to be followed further, as with this method, the complexity of a herbal extract can be better assessed than with the analysis of a single group of constituents. PMID:24417505

  18. In situ nuclear magnetic resonance investigations of lithium ions in carbon electrode materials using a novel detector

    Science.gov (United States)

    Gerald, R. E., II; Sanchez, J.; Johnson, C. S.; Klingler, R. J.; Rathke, J. W.

    2001-09-01

    The reversible electrochemical process (insertion/extraction) of lithium ions in graphitic carbon was monitored in situ for the first time by 7Li nuclear magnetic resonance (NMR) spectroscopy using a novel NMR apparatus. The compression coin cell battery imager is a simple device that combines the functions of an electrochemical cell and an NMR detector. A series of 7Li NMR spectra obtained for a blend of spherical and flaky disordered graphitic carbon particles revealed two distinct chemical shift signatures for the lithium ions that were inserted and extracted in the first electrochemical cycle. The lithium signal at ~50 ppm is consistent with the interplane sites for lithium ions on the sixfold axis between two stacked aromatic carbon rings aligned in registry. The second predominant lithium signal at ~12 ppm occurs in the chemical shift region reported for high-stage lithiated graphite and a dispersion of lithium-ion sites found in disordered carbon matrices. In addition, we observed chemical shift signatures similar to those assigned to Li-7 nuclei in lithium oxide, lithium carbonate, lithium alkyls, and lithium alkoxides that occur near 0 ppm and represent lithium nuclei that are irreversibly bound in the electrode/electrolyte interphase. An increase in intensity in the spectral region that is normally associated with irreversibly bound lithium was observed during the first discharge cycle, as anticipated. However, the same peaks in the spectrum unexpectedly diminished during the subsequent charge cycle, suggesting that the interphase between the carbon electrode and the electrolyte is built up over several cycles.

  19. Anomalous solute transport in saturated porous media: Relating transport model parameters to electrical and nuclear magnetic resonance properties

    Science.gov (United States)

    Swanson, Ryan D; Binley, Andrew; Keating, Kristina; France, Samantha; Osterman, Gordon; Day-Lewis, Frederick D.; Singha, Kamini

    2015-01-01

    The advection-dispersion equation (ADE) fails to describe commonly observed non-Fickian solute transport in saturated porous media, necessitating the use of other models such as the dual-domain mass-transfer (DDMT) model. DDMT model parameters are commonly calibrated via curve fitting, providing little insight into the relation between effective parameters and physical properties of the medium. There is a clear need for material characterization techniques that can provide insight into the geometry and connectedness of pore spaces related to transport model parameters. Here, we consider proton nuclear magnetic resonance (NMR), direct-current (DC) resistivity, and complex conductivity (CC) measurements for this purpose, and assess these methods using glass beads as a control and two different samples of the zeolite clinoptilolite, a material that demonstrates non-Fickian transport due to intragranular porosity. We estimate DDMT parameters via calibration of a transport model to column-scale solute tracer tests, and compare NMR, DC resistivity, CC results, which reveal that grain size alone does not control transport properties and measured geophysical parameters; rather, volume and arrangement of the pore space play important roles. NMR cannot provide estimates of more-mobile and less-mobile pore volumes in the absence of tracer tests because these estimates depend critically on the selection of a material-dependent and flow-dependent cutoff time. Increased electrical connectedness from DC resistivity measurements are associated with greater mobile pore space determined from transport model calibration. CC was hypothesized to be related to length scales of mass transfer, but the CC response is unrelated to DDMT.

  20. Structure-Related Roles for the Conservation of the HIV-1 Fusion Peptide Sequence Revealed by Nuclear Magnetic Resonance.

    Science.gov (United States)

    Serrano, Soraya; Huarte, Nerea; Rujas, Edurne; Andreu, David; Nieva, José L; Jiménez, María Angeles

    2017-10-17

    Despite extensive characterization of the human immunodeficiency virus type 1 (HIV-1) hydrophobic fusion peptide (FP), the structure-function relationships underlying its extraordinary degree of conservation remain poorly understood. Specifically, the fact that the tandem repeat of the FLGFLG tripeptide is absolutely conserved suggests that high hydrophobicity may not suffice to unleash FP function. Here, we have compared the nuclear magnetic resonance (NMR) structures adopted in nonpolar media by two FP surrogates, wtFP-tag and scrFP-tag, which had equal hydrophobicity but contained wild-type and scrambled core sequences LFLGFLG and FGLLGFL, respectively. In addition, these peptides were tagged at their C-termini with an epitope sequence that folded independently, thereby allowing Western blot detection without interfering with FP structure. We observed similar α-helical FP conformations for both specimens dissolved in the low-polarity medium 25% (v/v) 1,1,1,3,3,3-hexafluoro-2-propanol (HFIP), but important differences in contact with micelles of the membrane mimetic dodecylphosphocholine (DPC). Thus, whereas wtFP-tag preserved a helix displaying a Gly-rich ridge, the scrambled sequence lost in great part the helical structure upon being solubilized in DPC. Western blot analyses further revealed the capacity of wtFP-tag to assemble trimers in membranes, whereas membrane oligomers were not observed in the case of the scrFP-tag sequence. We conclude that, beyond hydrophobicity, preserving sequence order is an important feature for defining the secondary structures and oligomeric states adopted by the HIV FP in membranes.

  1. Proton Nuclear Magnetic Resonance-Spectroscopic Discrimination of Wines Reflects Genetic Homology of Several Different Grape (V. vinifera L.) Cultivars

    Science.gov (United States)

    Zhu, Yong; Wen, Wen; Zhang, Fengmin; Hardie, Jim W.

    2015-01-01

    Background and Aims Proton nuclear magnetic resonance spectroscopy coupled multivariate analysis (1H NMR-PCA/PLS-DA) is an important tool for the discrimination of wine products. Although 1H NMR has been shown to discriminate wines of different cultivars, a grape genetic component of the discrimination has been inferred only from discrimination of cultivars of undefined genetic homology and in the presence of many confounding environmental factors. We aimed to confirm the influence of grape genotypes in the absence of those factors. Methods and Results We applied 1H NMR-PCA/PLS-DA and hierarchical cluster analysis (HCA) to wines from five, variously genetically-related grapevine (V. vinifera) cultivars; all grown similarly on the same site and vinified similarly. We also compared the semi-quantitative profiles of the discriminant metabolites of each cultivar with previously reported chemical analyses. The cultivars were clearly distinguishable and there was a general correlation between their grouping and their genetic homology as revealed by recent genomic studies. Between cultivars, the relative amounts of several of the cultivar-related discriminant metabolites conformed closely with reported chemical analyses. Conclusions Differences in grape-derived metabolites associated with genetic differences alone are a major source of 1H NMR-based discrimination of wines and 1H NMR has the capacity to discriminate between very closely related cultivars. Significance of the Study The study confirms that genetic variation among grape cultivars alone can account for the discrimination of wine by 1H NMR-PCA/PLS and indicates that 1H NMR spectra of wine of single grape cultivars may in future be used in tandem with hierarchical cluster analysis to elucidate genetic lineages and metabolomic relations of grapevine cultivars. In the absence of genetic information, for example, where predecessor varieties are no longer extant, this may be a particularly useful approach. PMID

  2. Sequence dependent structure and thermodynamics of DNA oligonucleotides and polynucleotides: uv melting and NMR (nuclear magnetic resonance) studies

    Energy Technology Data Exchange (ETDEWEB)

    Aboul-ela, F.M.

    1987-12-01

    Thermodynamic parameters for double strand formation have been measured for the twenty-five DNA double helices made by mixing deoxyoligonucleotides of the sequence dCA/sub 3/XA/sub 3/G with the complement dCT/sub 3/YT/sub 3/G. Each of the bases A, C, G, T, and I (I = hypoxanthine) have been substituted at the positions labeled X and Y. The results are analyzed in terms of nearest neighbors. At higher temperatures the sequences containing a G)centerreverse arrowdot)C base pair become more stable than those containing only A)centerreverse arrowdot)T. All molecules containing mismatcher are destabilized with respect to those with only Watson-Crick pairing, but there is a wide range of destabilization. Large neighboring base effects upon stability were observed. For example, when (X, Y) = (I, A), the duplex is eightfold more stable than when (X, Y) = (A, I). Independent of sequence effects the order of stabilities is: I)centerreverse arrowdot)C )succ) I)centerreverse arrowdot) A)succ) I)centerreverse arrowdot)T approx. I)centerreverse arrowdot)G. All of these results are discussed within the context of models for sequence dependent DNA secondary structure, replication fidelity and mechanisms of mismatch repair, and implications for probe design. The duplex deoxyoligonucleotide d(GGATGGGAG))centerreverse arrowdot)d(CTCCCATCC) is a portion of the gene recognition sequence of the protein transcription factor IIIA. The crystal structure of this oligonucleotide was shown to be A-form The present study employs Nuclear Magnetic Resonance, optical, chemical and enzymatic techniques to investigate the solution structure of this DNA 9-mer. (157 refs., 19 figs., 10 tabs.

  3. Surface chemistry of group 11 atomic layer deposition precursors on silica using solid-state nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Pallister, Peter J.; Barry, Seán T.

    2017-02-01

    The use of chemical vapour deposition (CVD) and atomic layer deposition (ALD) as thin film deposition techniques has had a major impact on a number of fields. The deposition of pure, uniform, conformal thin films requires very specific vapour-solid reactivity that is largely unknown for the majority of ALD and CVD precursors. This work examines the initial chemisorption of several thin film vapour deposition precursors on high surface area silica (HSAS) using 13C, 31P, and quantitative 29Si nuclear magnetic resonance spectroscopy (NMR). Two copper metal precursors, 1,3-diisopropyl-imidazolin-2-ylidene copper (I) hexamethyldisilazide (1) and 1,3-diethyl-imidazolin-2-ylidene copper(I) hexamethyldisilazide (2), and one gold metal precursor, trimethylphosphine gold(III) trimethyl (3), are examined. Compounds 1 and 2 were found to chemisorb at the hydroxyl surface-reactive sites to form a ||-O-Cu-NHC surface species and fully methylated silicon (||-SiMe3, due to reactivity of the hexamethyldisilazane (HMDS) ligand on the precursor) at 150 °C and 250 °C. From quantitative 29Si solid-state NMR (SS-NMR) spectroscopy measurements, it was found that HMDS preferentially reacts at geminal disilanol surface sites while the copper surface species preferentially chemisorbed to lone silanol surface species. Additionally, the overall coverage was strongly dependent on temperature, with higher overall coverage of 1 at higher temperature but lower overall coverage of 2 at higher temperature. The chemisorption of 3 was found to produce a number of interesting surface species on HSAS. Gold(III) trimethylphosphine, reduced gold phosphine, methylated phosphoxides, and graphitic carbon were all observed as surface species. The overall coverage of 3 on HSAS was only about 10% at 100 °C and, like the copper compounds, had a preference for lone silanol surface reactive sites. The overall coverage and chemisorbed surface species have implications to the overall growth rate and purity of

  4. Quantification of Petrophysical Properties and Their Correlations with Nuclear Magnetic Resonance and Spectral Induced Polarization Responses in Carbonate

    Science.gov (United States)

    Zhang, F.; Zhang, C.

    2016-12-01

    Carbonate rocks are well known for their highly complex petrophysical behaviors due to their intrinsically heterogeneous pore geometry. 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 various carbonate rock samples. Carbonate samples from Pennsylvanian and Mississippian reservoir are selected from four classes (mudstones, packstones, wackstones and grainstones), with distinct depositional fabrics and pore system. NMR measures the relaxation of hydrogen nuclei at pore scale, and SIP determines dielectric property of a sample and is sensitive to the interfacial properties at mineral-fluid. Samples were fully saturated for T2 relaxation and complex conductivity measurements. The permeability and porosity were also obtained from Klinkenberg K-air tests. Additionally, the results from thin section, mercury intrusion, and gas adsorption will be used to calibrate NMR and SIP datasets and further analyze the control of porosity, pore size distribution, and specific surface on NMR and SIP signals. Comparing T2 relaxation and complex conductivity with petrographic and analytical data on pore attributes, our results elucidate how porosity, pore size distribution, and permeability correlate in carbonate pore system. Porosity (phi)-permeability (K)-T2,ML plots illustrate the general distribution of samples' petrophysical properties. Clusters of four rock classes, as well as linear correlations between phi-K, and phi-T2 can be identified from these plots. Furthermore, variations of peak frequencies of phase changes in samples indicate that pore size distribution has the critical impact on SIP responses. As the first attempt to characterize carbonates with integrated NMR and SIP method, these results would help establish correlations among pore attributes, permeability and NMR/SIP responses, and provide reasonable

  5. Improved estimates of formation factor for combined electrical and nuclear magnetic resonance models of permeability of sandstone cores

    Science.gov (United States)

    Osterman, G. K.; Keating, K.; Binley, A. M.; Slater, L. D.; McDonald, R.

    2014-12-01

    In spite of the importance of permeability in controlling numerous hydrogeological and biogeochemical processes, the property can be exceptionally difficult to measure directly in the field. Recently, nuclear magnetic resonance (NMR) has become an increasingly popular method, both in the lab and the field, for hydrogeophysical investigations due to its sensitivity to water content and pore surface area. Additionally, previous work has shown that the electrical formation factor can be used as a proxy for the tortuosity of the pore space—a parameter NMR is incapable of detecting—in permeability models. However, the formation factor is impossible to accurately measure in the field using DC electrical methods, as the measured conductivity cannot be decomposed into the fluid and surface conduction components. Therefore, our approach is to use induced polarization (IP) and spectral induced polarization (SIP) in the laboratory to correct for the influence of surface conductivity in the formation factor calculation. The corrected formation factor can then be used along with NMR parameters for more accurate permeability estimation. Laboratory SIP and NMR datasets were acquired on 40 sandstone cores with a range of permeabilities spanning six orders of magnitude as estimated from gas permeameter measurements. We examine how different estimates of the electrical formation factor can be combined with the NMR transverse relaxation time to estimate permeability. Specifically, we compare the electrical formation factor measured at high and low pore-fluid salinity with the formation factor derived using IP and SIP. Using both empirical and mechanistic petrophysical relationships, we explore the utility of IP- and SIP-corrected formation factors in tandem with NMR parameters for permeability prediction as compared to the low-salinity formation factor typically measured in the field. Furthermore, we develop our models using IP and SIP data that may be acquired in the field

  6. Mutagenesis and nuclear magnetic resonance analyses of the fusion peptide of Helicoverpa armigera single nucleocapsid nucleopolyhedrovirus F protein.

    Science.gov (United States)

    Tan, Ying; Jiang, Ling; Wang, Manli; Yin, Feifei; Deng, Fei; Liu, Maili; Hu, Zhihong; Wang, Hualin

    2008-08-01

    The entry of enveloped viruses into cells is normally mediated by fusion between viral and cellular membranes, in which the fusion peptide plays a crucial role. The fusion peptides of group II nucleopolyhedrovirus (NPV) F proteins are quite conserved, with a hydrophobic region located at the N terminal of the F(1) fragment. For this report, we used mutagenesis and nuclear magnetic resonance (NMR) to study the structure and function of the fusion peptide of the Helicoverpa armigera single-nucleocapsid NPV (HearNPV) F protein (HaF). Five mutations in the fusion peptide of HaF, N(1)G, N(1)L, I(2)N, G(3)L, and D(11)L, were generated separately, and the mutated f genes were transformed into the f-null HearNPV bacmid. The mutations N(1)L, I(2)N, and D(11)L were found to completely abolish the ability of the recombinant bacmids to produce infectious budded virus, while the mutations N(1)G and G(3)L did not. The low-pH-induced envelope fusion assay demonstrated that the N(1)G substitution increased the fusogenicity of HaF, while the G(3)L substitution reduced its fusogenicity. NMR spectroscopy was used to determine the structure of a synthetic fusion peptide of HaF in the presence of sodium dodecyl sulfate micelles at pH 5.0. The fusion peptide appeared to be an amphiphilic structure composed of a flexible coil in the N terminus from N(1) to N(5), a 3(10)-helix from F(6) to G(8), a turn at S(9), and a regular alpha-helix from V(10) to D(19). The data provide the first NMR structure of a baculovirus fusion peptide and allow us to further understand the relationship of structure and function of the fusion peptide.

  7. Reaction of Oxidized Polysialic Acid and a Diaminooxy Linker: Characterization and Process Optimization Using Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Ray, G Joseph; Siekmann, Jürgen; Scheinecker, Richard; Zhang, Zhenqing; Gerasimov, Mikhail V; Szabo, Christina M; Kosma, Paul

    2016-09-21

    Native polysialic acid (natPSA) is a high-molecular-weight glycan composed of repeat units of α-(2 → 8) linked N-acetylneuraminic acid (Neu5Ac). Mild periodate oxidation of PSA selectively targets the end sialic acid ring containing three adjacent alcohols generating a putative aldehyde, which can be used, after attachment of a linker molecule, for terminal attachment of PSA to protein. Previously, we showed that the oxidized PSA (oxoPSA) contained a hemiacetal at the oxidation site and can react with a linker containing an aminooxy group in a conjugation reaction to form a stable oxime linkage. Thus, reagents containing an aminooxy group may be prepared for conjugation of PSA to the carbohydrate moiety of therapeutic proteins, thereby increasing their half-life. These aminooxy-PSA reagents can selectively react with aldehyde groups generated by mild NaIO4 oxidation of glycans on the surface of the target protein. To comprehend the conjugation, unoxidized tetrasialic acid and Neu5Ac were reacted in model reactions with a diaminooxy linker to define the nuclear magnetic resonance (NMR) chemical shifts. Based on these data, we were able to show that, in the case of PSA, the reaction with the linker occurs not only at the expected oxidized end to form an aldoxime but also at the end distal to the oxidation to form a ketoxime. We determined that, in aged solutions, both oxoPSA and PSA aldoxime were hydrolyzed. PSA aldoxime was also shown to disproportionate to form a dimer (PSA-linker-PSA), which then could react further with the released linker at one of its PSA termini. Furthermore, NMR was used to monitor the effects of deliberate process changes so that conditions could be optimized for attachment of linker at the desired end of the PSA chain, which led to a well-defined product.

  8. Multicomponent analysis of radiolytic products in human body fluids using high field proton nuclear magnetic resonance (NMR) spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Grootveld, M.C.; Herz, H.; Naughton, D.; Perera, A.; Knappitt, J.; Blake, D.R.; Claxson, A.W.D. [London Hospital Medical College (United Kingdom). The Inflammation Research Group; Haywood, R.; Hawkes, G.E. [Queen Mary and Westfield College, London (United Kingdom). Dept. of Chemistry

    1994-05-01

    High field proton Hahn spin-echo nuclear magnetic resonance (NMR) spectroscopy has been employed to investigate radiolytic damage to biomolecules present in intact human body fluids. {gamma}-Radiolysis of healthy or rheumatoid human serum (5.00 kGy) in the presence of atmospheric O{sub 2} gave rise to reproducible elevations in the concentration of NMR-detectable acetate which are predominantly ascribable to the prior oxidation of lactate to pyruvate by hydroxyl radical ({sup .}OH) followed by oxidative decarboxylation of pyruvate by radiolytically-generated hydrogen peroxide (H{sub 2}O{sub 2}) and/or further {sup .}OH radical. Increases in the serum levels of non-protein-bound, low-molecular-mass components such as citrate and glutamine were also observed subsequent to {gamma}-radiolysis, an observation which may reflect their mobilisation from protein binding-sites by {sup .}OH radical, superoxide anion and/or HO{sub 2}. Moreover, substantial radiolytically-mediated elevations in the concentration of serum formate were also detectable. In addition to the above modifications, {gamma}-radiolysis of inflammatory knee-joint synovial fluid (SF) generated a low-molecular-mass oligosaccharide species derived from the radiolytic fragmentation of hyaluronate. The radiolytically-mediated production of acetate in SF samples was markedly greater than that observed in serum samples, a consequence of the much higher levels of {sup .}OH radical-scavenging lactate present. Indeed, increases in SF acetate concentration were detectable at doses as low as 48 Gy. We conclude that high field proton NMR analysis provides much useful information regarding the relative radioprotectant abilities of endogenous components and the nature, status and levels of radiolytic products generated in intact biofluids. (author).

  9. Characterization of phosphorus forms in lake macrophytes and algae by solution (31)P nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Feng, Weiying; Zhu, Yuanrong; Wu, Fengchang; Meng, Wei; Giesy, John P; He, Zhongqi; Song, Lirong; Fan, Mingle

    2016-04-01

    Debris from aquatic macrophytes and algae are important recycling sources of phosphorus (P), which can result in continuing blooms of algae by recycling bioavailable P in the eutrophic lakes. However, knowledge of forms of P in aquatic macrophytes and algae and their contribution to internal loads of P in lakes is limited. Without such knowledge, it is difficult to develop appropriate strategies to remediate and or restore aquatic ecosystems that have become eutrophic. Therefore, in this work, P was extracted from six types of aquatic macrophytes and algae collected from Tai Lake of China and characterized by use of solution (31)P-nuclear magnetic resonance (NMR) spectroscopy. When extracted by 0.5 M NaOH-25 mM EDTA, extraction recovery of total P(TP) and organic P(Po) exceeded 90 %. Concentrations of Po in algae and aquatic macrophytes were 5552 mg kg(-1) and 1005 mg kg(-1) and accounted for 56.0 and 47.2 % of TP, respectively. When Po, including condensed P, was characterized by solution (31)P-NMR Po in algae included orthophosphate monoesters (79.8 %), pyrophosphate (18.2 %), and orthophosphate diester (2.0 %), and Po in aquatic macrophytes included orthophosphate monoesters (90.3 %), pyrophosphate (4.2 %), and orthophosphate diester (5.5 %). Additionally, orthophosphate monoesters in algal debris mainly included β-glycerophosphate (44.1 %), α-glycerophosphate (13.5 %), and glucose 6-phosphate (13.5 %). Orthophosphate monoesters in aquatic macrophytes mainly included β-glycerophosphate (27.9 %), α-glycerophosphate (24.6 %), and adenosine 5' monophosphate (8.2 %). Results derived from this study will be useful in better understanding nutrient cycling, relevant eutrophication processes, and pollution control for freshwater lakes.

  10. Explicit calculation of nuclear-magnetic-resonance relaxation rates in small pores to elucidate molecular-scale fluid dynamics

    Science.gov (United States)

    Faux, D. A.; McDonald, P. J.

    2017-03-01

    Nuclear-magnetic-resonance (NMR) spin-lattice (T1-1) and spin-spin (T2-1) relaxation rate measurements can act as effective nondestructive probes of the nanoscale dynamics of 1H spins in porous media. In particular, fast-field-cycling T1-1 dispersion measurements contain information on the dynamics of diffusing spins over time scales spanning many orders of magnitude. Previously published experimental T1-1 dispersions from a plaster paste, synthetic saponite, mortar, and oil-bearing shale are reanalyzed using a model and associated theory which describe the relaxation rate contributions due to the interaction between spin ensembles in quasi-two-dimensional pores. Application of the model yields physically meaningful diffusion correlation times for all systems. In particular, the surface diffusion correlation time and the surface desorption time take similar values for each system, suggesting that surface mobility and desorption are linked processes. The bulk fluid diffusion correlation time is found to be two to five times the value for the pure liquid at room temperature for each system. Reanalysis of the oil-bearing shale yields diffusion time constants for both the oil and water constituents. The shale is found to be oil wetting and the water T1-1 dispersion is found to be associated with aqueous Mn2 + paramagnetic impurities in the bulk water. These results escalate the NMR T1-1 dispersion measurement technique as the primary probe of molecular-scale dynamics in porous media yielding diffusion parameters and a wealth of information on pore morphology.

  11. Relationship between noninvasive scores of nonalcoholic fatty liver disease and nuclear magnetic resonance lipoprotein abnormalities: A focus on atherogenic dyslipidemia.

    Science.gov (United States)

    Amor, Antonio J; Pinyol, Montserrat; Solà, Elsa; Catalan, Marta; Cofán, Montserrat; Herreras, Zoe; Amigó, Nuria; Gilabert, Rosa; Sala-Vila, Aleix; Ros, Emilio; Ortega, Emilio

    Nonalcoholic fatty liver disease (NAFLD) is an emerging, highly prevalent, cardiovascular risk factor, and lipoprotein proatherogenic disturbances likely explain a large part of this risk. However, information regarding associations between detailed nuclear magnetic resonance (NMR) lipoprotein changes and noninvasive NAFLD scores is lacking. The objective of the study was to investigate the NMR-assessed atherogenic lipoprotein profile according to noninvasive NAFLD status. Lipoprotein profiles by NMR spectroscopy and NAFLD status by fatty liver index (FLI) and Gholam's models. We assessed 173 participants (55% males), mean age 60.8 ± 7.8 years, 87% overweight/obese, 53% with diabetes. An FLI 60 was found in 32, 50, and 91 participants, respectively. Individuals with FLI >60 had lower high-density lipoprotein (HDL)-cholesterol (P 60, respectively). Conversely, although total HDL particle number did not differ by FLI (P = .377), larger HDL particles (P 60 (vs <60) was associated with a higher proportion of small LDL particles (P = .010) and lower LDL size (19.85 ± 0.34 vs 19.98 ± 0.25 nm; P = .005). Similar findings were found for Gholam's model. Simple and noninvasive NAFLD scores are useful to detect many of the proatherogenic changes (especially in VLDL and HDL), beyond conventional lipids parameters that are common in individuals with this high-risk condition. Copyright © 2017 National Lipid Association. Published by Elsevier Inc. All rights reserved.

  12. Espectros de duas formas de lignina obtidos por ressonância magnética nuclear Nuclear magnetic resonance spectra of two types of lignin

    Directory of Open Access Journals (Sweden)

    Romualdo Shigueo Fukushima

    2003-04-01

    Full Text Available O conteúdo de lignina pode ser útil na estimativa da digestão da fibra de plantas forrageiras. A determinação quantitativa da lignina pelo método espectrofotométrico pressupõe a existência de um padrão de referência satisfatório. O objetivo deste trabalho foi avaliar, por meio da ressonância magnética nuclear (RMN, duas ligninas, uma extraída com brometo de acetila (LBrAc e outra com solução ácida de dioxano (LDiox, para utilização como padrão de referência em análises espectrofotométricas. A ressonância de próton acusou altos teores de carboidratos contaminantes nas amostras de LBrAc. Como a cromatografia líquida já havia indicado menor presença de carboidratos contaminantes na LDiox, os espectros por ressonância de carbono, mais rica em detalhes do que a espectroscopia anterior, porém mais demorada, foram realizados somente nas ligninas LDiox. Este espectro revelou picos típicos, comuns à maioria das ligninas. Os achados da RMN foram condizentes com a análise química, a qual identificou que o carboidrato da parede celular que acompanha a LBrAc seria possivelmente a celulose, ao passo que a pequena contaminação da LDiox teria origem nas pentosanas. A LDiox pode ser considerada melhor padrão de referência para as análises espectrofotométricas do que a LBrAc.Lignin content can be useful to estimate fiber digestion of forage plants. Quantitative determination of lignin by the spectrophotometric method presumes an efficient standard. The objective of this work was to evaluate, by the nuclear magnetic resonance (NMR, two lignins, one extracted with acetyl bromide (AcBrL and another with acidic dioxane solution (DL, as standards in spectrophotometric analysis. Proton resonance revealed high presence of carbohydrates in the AcBrL residues. Because liquid chromatograph had already shown low contamination with carbohydrates in the DL samples, only carbon resonance, which is lengthier, but richer in details than

  13. 7.0T nuclear magnetic resonance evaluation of the amyloid beta (1-40) animal model of Alzheimer's disease: comparison of cytology verification.

    Science.gov (United States)

    Zhang, Lei; Dong, Shuai; Zhao, Guixiang; Ma, Yu

    2014-02-15

    3.0T magnetic resonance spectroscopic imaging is a commonly used method in the research of brain function in Alzheimer's disease. However, the role of 7.0T high-field magnetic resonance spectroscopic imaging in brain function of Alzheimer's disease remains unclear. In this study, 7.0T magnetic resonance spectroscopy showed that in the hippocampus of Alzheimer's disease rats, the N-acetylaspartate wave crest was reduced, and the creatine and choline wave crest was elevated. This finding was further supported by hematoxylin-eosin staining, which showed a loss of hippocampal neurons and more glial cells. Moreover, electron microscopy showed neuronal shrinkage and mitochondrial rupture, and scanning electron microscopy revealed small size hippocampal synaptic vesicles, incomplete synaptic structure, and reduced number. Overall, the results revealed that 7.0T high-field nuclear magnetic resonance spectroscopy detected the lesions and functional changes in hippocampal neurons of Alzheimer's disease rats in vivo, allowing the possibility for assessing the success rate and grading of the amyloid beta (1-40) animal model of Alzheimer's disease.

  14. Multilayer Integrated Film Bulk Acoustic Resonators

    CERN Document Server

    Zhang, Yafei

    2013-01-01

    Multilayer Integrated Film Bulk Acoustic Resonators mainly introduces the theory, design, fabrication technology and application of a recently developed new type of device, multilayer integrated film bulk acoustic resonators, at the micro and nano scale involving microelectronic devices, integrated circuits, optical devices, sensors and actuators, acoustic resonators, micro-nano manufacturing, multilayer integration, device theory and design principles, etc. These devices can work at very high frequencies by using the newly developed theory, design, and fabrication technology of nano and micro devices. Readers in fields of IC, electronic devices, sensors, materials, and films etc. will benefit from this book by learning the detailed fundamentals and potential applications of these advanced devices. Prof. Yafei Zhang is the director of the Ministry of Education’s Key Laboratory for Thin Films and Microfabrication Technology, PRC; Dr. Da Chen was a PhD student in Prof. Yafei Zhang’s research group.

  15. Magnetic Resonance Imaging (MRI) -- Head

    Medline Plus

    Full Text Available ... News Physician Resources Professions Site Index A-Z Magnetic Resonance Imaging (MRI) - Head Magnetic resonance imaging (MRI) of the head ... limitations of MRI of the Head? What is MRI of the Head? Magnetic resonance imaging (MRI) is ...

  16. Children's (Pediatric) Magnetic Resonance Imaging

    Medline Plus

    Full Text Available ... Resources Professions Site Index A-Z Children’s (Pediatric) Magnetic Resonance Imaging Children’s magnetic resonance imaging (MRI) uses a powerful ... of Children’s (Pediatric) MRI? What is Children’s (Pediatric) MRI? Magnetic resonance imaging (MRI) is a noninvasive medical ...

  17. Children's (Pediatric) Magnetic Resonance Imaging

    Medline Plus

    Full Text Available ... News Physician Resources Professions Site Index A-Z Children’s (Pediatric) Magnetic Resonance Imaging Children’s magnetic resonance imaging ( ... the limitations of Children’s (Pediatric) MRI? What is Children’s (Pediatric) MRI? Magnetic resonance imaging (MRI) is a ...

  18. Magnetic Resonance Imaging (MRI) -- Head

    Medline Plus

    Full Text Available ... Physician Resources Professions Site Index A-Z Magnetic Resonance Imaging (MRI) - Head Magnetic resonance imaging (MRI) of the head uses a powerful ... Head? What is MRI of the Head? Magnetic resonance imaging (MRI) is a noninvasive medical test that ...

  19. Children's (Pediatric) Magnetic Resonance Imaging

    Medline Plus

    Full Text Available ... Physician Resources Professions Site Index A-Z Children’s (Pediatric) Magnetic Resonance Imaging Children’s magnetic resonance imaging (MRI) ... limitations of Children’s (Pediatric) MRI? What is Children’s (Pediatric) MRI? Magnetic resonance imaging (MRI) is a noninvasive ...

  20. A Magnetic Resonance Measurement Technique for Rapidly Switched Gradient Magnetic Fields in a Magnetic Resonance Tomograph

    Directory of Open Access Journals (Sweden)

    K. Bartušek

    2003-01-01

    Full Text Available This paper describes a method for measuring of the gradient magnetic field in Nuclear Magnetic Resonance (NMR tomography, which is one of the modern medical diagnostic methods. A very important prerequisite for high quality imaging is a gradient magnetic field in the instrument with exactly defined properties. Nuclear magnetic resonance enables us to measure the pulse gradient magnetic field characteristics with high accuracy. These interesting precise methods were designed, realised, and tested at the Institute of Scientific Instruments (ISI of the Academy of Sciences of the Czech Republic. The first of them was the Instantaneous Frequency (IF method, which was developed into the Instantaneous Frequency of Spin Echo (IFSE and the Instantaneous Frequency of Spin Echo Series (IFSES methods. The above named methods are described in this paper and their a comparison is also presented.