Science.gov

Sample records for 23na nmr imaging

  1. 23Na and (1)H NMR microimaging of intact plants.

    PubMed

    Olt, S; Krötz, E; Komor, E; Rokitta, M; Haase, A

    2000-06-01

    (23)Na NMR microimaging is described to map, for the first time, the sodium distribution in living plants. As an example, the response of 6-day-old seedlings of Ricinus communis to exposure to sodium chloride concentrations from 5 to 300 mM was observed in vivo using (23)Na as well as (1)H NMR microimaging. Experiments were performed at 11.75 T with a double resonant (23)Na-(1)H probehead. The probehead was homebuilt and equipped with a climate chamber. T(1) and T(2) of (23)Na were measured in the cross section of the hypocotyl. Within 85 min (23)Na images with an in-plane resolution of 156 x 156 micrometer were acquired. With this spatial information, the different types of tissue in the hypocotyl can be discerned. The measurement time appears to be short compared to the time scale of sodium uptake and accumulation in the plant so that the kinetics of salt stress can be followed. In conclusion, (23)Na NMR microimaging promises great potential for physiological studies of the consequences of salt stress on the macroscopic level and thus may become a unique tool for characterizing plants with respect to salt tolerance and salt sensitivity. Copyright 2000 Academic Press.

  2. 23Na and 1H NMR Microimaging of Intact Plants

    NASA Astrophysics Data System (ADS)

    Olt, Silvia; Krötz, Eva; Komor, Ewald; Rokitta, Markus; Haase, Axel

    2000-06-01

    23Na NMR microimaging is described to map, for the first time, the sodium distribution in living plants. As an example, the response of 6-day-old seedlings of Ricinus communis to exposure to sodium chloride concentrations from 5 to 300 mM was observed in vivo using 23Na as well as 1H NMR microimaging. Experiments were performed at 11.75 T with a double resonant 23Na-1H probehead. The probehead was homebuilt and equipped with a climate chamber. T1 and T2 of 23Na were measured in the cross section of the hypocotyl. Within 85 min 23Na images with an in-plane resolution of 156 × 156 μm were acquired. With this spatial information, the different types of tissue in the hypocotyl can be discerned. The measurement time appears to be short compared to the time scale of sodium uptake and accumulation in the plant so that the kinetics of salt stress can be followed. In conclusion, 23Na NMR microimaging promises great potential for physiological studies of the consequences of salt stress on the macroscopic level and thus may become a unique tool for characterizing plants with respect to salt tolerance and salt sensitivity.

  3. Double-quantum-filtered 23Na NMR study of intracellular sodium in the perfused liver.

    PubMed Central

    Lyon, R C; McLaughlin, A C

    1994-01-01

    We acquired double-quantum-filtered 23Na NMR spectra from perfused liver, using a range of tau values from 0.2 to 24 ms, where tau is the separation between the first and second pi/2 pulses in the radio-frequency pulse sequence. For each tau value we compared the amplitude of the double-quantum-filtered 23Na NMR signal acquired from intracellular sodium ions when the liver was perfused with buffer containing the "shift reagent" Dy(PPP)2 to the amplitude of the total double-quantum-filtered 23Na NMR signal acquired when the liver was perfused with buffer containing no Dy(PPP)2. For tau < or = 4 ms, the average ratio of the two amplitudes was 0.98 +/- 0.03 (mean +/- SEM). For tau > or = 8 ms, the average ratio was significantly less than 1. These results demonstrate that double-quantum-filtered 23Na NMR signals acquired from perfused liver using short tau values arise almost exclusively from intracellular sodium ions, but double-quantum-filtered 23Na NMR signals acquired from perfused liver using long tau values contain contributions from both intracellular and extracellular sodium ions. This conclusion suggests that multiple-quantum-filtered 23Na NMR spectroscopy will be useful in studying intracellular sodium levels in the perfused liver, and possibly in the intact liver in vivo. PMID:7919009

  4. Computational interpretation of 23Na MQMAS NMR spectra: A comprehensive investigation of the Na environment in silicate glasses

    NASA Astrophysics Data System (ADS)

    Gambuzzi, Elisa; Charpentier, Thibault; Menziani, Maria Cristina; Pedone, Alfonso

    2014-09-01

    Molecular dynamics, density functional theory calculations and 23Na NMR experiments have been used to inspect the chemical and structural characteristics of the Na environment in soda-lime silicate (CSN) and aluminosilicate (CASN) glasses. The use of an improved 3QMAS pulse sequence has allowed a clear identification of different Na sites. Average coordination numbers have been extracted by fitting the 23Na 3QMAS spectra with the computed NMR parameters. The results show that the 23Na δiso values correlate with the average distances only when the different coordination numbers are explicitly taken into account.

  5. 39K, 23Na, and 31P NMR Studies of Ion Transport in Saccharomyces cerevisiae

    NASA Astrophysics Data System (ADS)

    Ogino, T.; den Hollander, J. A.; Shulman, R. G.

    1983-09-01

    The relationship between efflux and influx of K+, Na+, and intracellular pH (pHin) in yeast cells upon energizing by oxygenation was studied by using the noninvasive technique of 39K, 23Na, and 31P NMR spectroscopy. By introducing an anionic paramagnetic shift reagent, Dy3+(P3O105-)2, into the medium, NMR signals of intra- and extracellular K+ and Na+ could be resolved, enabling us to study ion transport processes by NMR. Measurements showed that 40% of the intracellular K+ and Na+ in yeast cells contributed to the NMR intensities. By applying this correction factor, the intracellular ion concentrations were determined to be 130-170 mM K+ and 2.5 mM Na+ for fresh yeast cells. With the aid of a home-built solenoidal coil probe for 39K and a double-tuned probe for 23Na and 31P, we could follow time courses of K+ and Na+ transport and of pHin with a time resolution of 1 min. It was shown that H+ extrusion is correlated with K+ uptake and not with Na+ uptake upon energizing yeast cells by oxygenation. When the cells were deenergized after the aerobic period, K+ efflux, H+ influx, and Na+ influx were calculated to be 1.6, 1.5, and 0.15 μ mol/min per ml of cell water, respectively. Therefore, under the present conditions, K+ efflux is balanced by exchange for H+ with an approximate stoichiometry of 1:1.

  6. /sup 23/Na NMR study of DNA thermal transconformation in presence of cysteamine radioprotector

    SciTech Connect

    Lematre, J.; Mallet, G.; Vasilescu, D.

    1988-01-01

    DNA thermal transconformation is studied in absence and in presence of the cysteamine radioprotector, by observing the delta nu 1/2 variation of /sup 23/Na NMR peaks. The sodium state (Free or Bound) is discussed with the help of a two states model with RF and RB relaxation rates. The delta nu 1/2 behavior during the DNA transconformation shows clearly the electrostatic interaction with cysteamine which is accompanied by an Na+ ejection out of phosphate sites. The temperature dependence of delta nu 1/2 in all cases leads to the conclusion that RBc (the average relaxation rate of sodium nuclei that remain bound in the coil state of DNA) tends to zero.

  7. A selective inversion recovery method for the improvement of 23Na NMR spectral resolution in isolated perfused rat hearts.

    PubMed

    Simor, T; Kim, S K; Chu, W J; Pohost, G M; Elgavish, G A

    1993-01-01

    Shift-reagent-aided 23Na NMR spectroscopy allows differentiation of the intracellular (Na(i)) and extracellular sodium (Na(o)) signals. The goal of the present study has been to develop a 23Na NMR spectroscopic method to minimize the intensity of the shift-reagent-shifted Na(o) signal and thus increase Na(i) resolution. This is achieved by a selective inversion recovery (SIR) method which enhances the resolution between the Na(i) and Na(o) peaks in shift-reagent-aided 23Na NMR spectroscopy. The application of SIR with Dy(TTHA), Tm(DOTP), or with low concentrations of Dy(PPP)2 results in both good spectral resolution and physiologically acceptable contractile function in the isolated, perfused rat heart model.

  8. In vivo sodium (23Na) imaging of the human kidneys at 7 T: preliminary results.

    PubMed

    Haneder, Stefan; Juras, Vladimir; Michaely, Henrik J; Deligianni, Xeni; Bieri, Oliver; Schoenberg, Stefan O; Trattnig, Siegfried; Zbýň, Štefan

    2014-02-01

    To evaluate the feasibility of in vivo (23)Na imaging of the corticomedullary (23)Na gradient and to measure (23)Na transverse relaxation times (T2*) in human kidneys. In this prospective, IRB-approved study, eight healthy volunteers (4 female, 4 male; mean age 29.4 ± 3.6 years) were examined on a 7-T whole-body MR system using a (23)Na-only spine-array coil. For morphological (23)Na-MRI, a 3D gradient echo (GRE) sequence with a variable echo time scheme (vTE) was used. T2* times were calculated using a multiecho 3D vTE-GRE approach. (23)Na signal-to-noise ratios (SNR) were given on a pixel-by-pixel basis for a 20-mm section from the cortex in the direction of the medulla. T2* maps were calculated by fitting the (23)Na signal decay monoexponentially on a pixel-by-pixel basis, using least squares fit. Mean corticomedullary (23)Na-SNR increased from the cortex (32.2 ± 5.6) towards the medulla (85.7 ± 16.0). The SNR increase ranged interindividually from 57.2% to 66.3%. Mean (23)Na-T2* relaxation times differed statistically significantly (P < 0.001) between the cortex (17.9 ± 0.8 ms) and medulla (20.6 ± 1.0 ms). The aim of this study was to evaluate the feasibility of in vivo (23)Na MRI of the corticomedullary (23)Na gradient and to measure the (23)Na T2* relaxation times of human kidneys at 7 T. • High field MR offers new insights into renal anatomy and physiology. • (23) Na MRI of healthy human kidneys is feasible at ultra-high field. • Renal (23) Na concentration increases from the cortex in the medullary pyramid direction. • In vivo measurements of renal (23) Na-T2* times are demonstrated at 7.0 T.

  9. 23 Na and 17O NMR studies of hyperkagome Na4Ir3O8

    NASA Astrophysics Data System (ADS)

    Shockley, Abigail; Bert, Fabrice; Orain, Jean-Christophe; Okamoto, Yoshihiko; Mendels, Philippe

    2015-03-01

    Na4Ir3O8 is a unique case of a 3D corner sharing triangular lattice which can be decorated with quantum spins. It has spurred a lot of theoretical interest as a spin liquid candidate of a new kind where the Hamiltonian might not be thought in terms of a simple Heisenberg case because of spin orbit coupling on the Ir 5d element. We present a comprehensive set of NMR data taken on both the 23Na and 17O sites. We have found that magnetic freezing of all Ir sites sets in below Tf ~ 7.5K ~ 0 . 019 J with a clear hyperfine field transferred from Ir moments and a drastic decrease of 1 /T1 . Above Tf, physical properties are expected to be a landmark of frustration in this exotic geometry. We will discuss our shift and relaxation data in the temperature range of 300K to 7.5 K in the light of published thermodynamic measurements (Y. Okamotoa et al, PRL 99 137207, 2007 and Y. Singh et al, PRB 88 220413(R), 2013) and comment on their implications for the already existing large body of theoretical work.

  10. Periodic ab initio calculation of nuclear quadrupole parameters as an assignment tool in solid-state NMR spectroscopy: applications to 23Na NMR spectra of crystalline materials.

    PubMed

    Johnson, Clive; Moore, Elaine A; Mortimer, Michael

    2005-05-01

    Periodic ab initio HF calculations using the CRYSTAL code have been used to calculate (23)Na NMR quadrupole parameters for a wide range of crystalline sodium compounds including Na(3)OCl. An approach is developed that can be used routinely as an alternative to point-charge modelling schemes for the assignment of distinct lines in (23)Na NMR spectra to specific crystallographic sodium sites. The calculations are based on standard 3-21 G and 6-21 G molecular basis sets and in each case the same modified basis set for sodium is used for all compounds. The general approach is extendable to other quadrupolar nuclei. For the 3-21 G calculations a 1:1 linear correlation between experimental and calculated values of C(Q)((23)Na) is obtained. The 6-21 G calculations, including the addition of d-polarisation functions, give better accuracy in the calculation of eta((23)Na). The sensitivity of eta((23)Na) to hydrogen atom location is shown to be useful in testing the reported hydrogen-bonded structure of Na(2)HPO(4).

  11. 13C and 23Na NMR studies of Na2C60 and Na6C60 fullerides

    NASA Astrophysics Data System (ADS)

    Rachdi, F.; Hajji, L.; Galtier, M.; Yildirim, T.; Fischer, J. E.; Goze, C.; Mehring, M.

    1997-10-01

    We report on 13C and 23Na NMR measurements on Na2C60 and Na6C60 compounds. The room-temperature 13C NMR spectra of Na2C60 and Na6C60 samples present a narrow isotropic line at 172 and 176 ppm, respectively. The Na6C60 resonance is shifted 20 ppm more down field than the resonances of A6C60 compounds with heavier alkalis, indicating a partial charge transfer to the threefold degenerate t1u level which is totally filled in the latter compounds. The 23Na NMR spectrum of A2C60 shows one line at 73 ppm and the one of A6C60 presents two lines at 73 and 147 ppm. The intensity ratio of the latter lines is about 2:1. According to previously reported x-ray data we attribute the line at 147 ppm to the Na tetramers in the octahedral sites and the line at 73 ppm to the Na cations in the tetrahedral ones which are singly occupied.

  12. Magnetic field dependence of 23Na NMR spectra of rat skeletal muscle infused with shift reagent in Vivo

    NASA Astrophysics Data System (ADS)

    Balschi, James A.; Kohler, Susan J.; Bittl, John A.; Springer, Charles S.; Ingwall, Joanne S.

    We obtained 23Na NMR spectra of the gastrocnemius muscle in the living rat before and after infusing the animal with the shift reagent for cations, triethylenetetraminehexaacetate dysprosium (III) (DyTTHA 3-), at field strengths of 8.4, 4.7, and 1.5 T. When plotted on a ppm scale, sodium linewidths both with and without shift reagent showed little field dependence. Thus the spectra obtained in the presence of shift reagent showed almost no change in resolution as the field strength increased. Since the absolute line-widths increased with increasing B0 our results also indicate that both the shifted and the unshifted sodium resonances are inhomogeneously broadened and that the observed linewidths are determined primarily by bulk magnetic susceptibility shifts. These results suggest that cation NMR in conjunction with shift reagent can be used to discriminate between intra- and extracellular sodium pools over a wide range of field strengths.

  13. A 125Te and 23Na NMR investigation of the structure and crystallisation of sodium tellurite glasses.

    PubMed

    Holland, D; Bailey, J; Ward, G; Turner, B; Tierney, P; Dupree, R

    2005-01-01

    125Te static nuclear magnetic resonance (NMR) and 23Na and 125Te magic angle spinning (MAS) NMR have been used, in conjunction with X-ray diffraction, to examine the structure and crystallisation behaviour of glasses of composition xNa2O.(1-x)TeO2 (0.075 x 0.4). The MAS NMR 23Na spectra from the glasses are broad and featureless but shift by approximately +5 ppm with increased x, i.e. as the system becomes more ionic. The static 125Te NMR spectra show an increase in axial symmetry with increasing x, indicating a shift from predominantly [TeO4] to [TeO3] structural units. The 23Na and 125Te spectra from the crystallised samples have been fitted to obtain information on the sites in the metastable crystal phases, which are the first to form on heating and which are therefore more closely related to the glass structure than thermodynamically stable crystal phases. New sodium tellurite phases are reported, including a sodium stabilised, face centred cubic phase related to delta-TeO2; a metastable form of Na2Te4O9 containing 3 sodium and 4 tellurium sites; and a metastable form of Na2Te2O5 containing 2 sodium sites. There is evidence of oxidation of TeIV to TeVI occurring in glasses with high values of x and, at x=0.40 and 0.50 (outside the glass forming range), some sodium metatellurate (Na2TeO4) is formed at the same time as sodium metatellurite (Na2TeO3). The 125Te shift is very sensitive to environment within the sodium tellurite system, covering more than 320 ppm, with anisotropies varying from 640 to 1540 ppm. The lack of features in the 125Te spectra of the glass phases, combined with the large shift range and high but variable anisotropy, means than it is not possible to obtain a unique fit to any presumed species present. Furthermore, the chemical shift anisotropy parameters for three of the four Te sites in the Na2Te4O9 phase are found to lie outside the range used for previous simulations of glass spectra.

  14. In vivo(39)K, (23)Na and (1)H MR imaging using a triple resonant RF coil setup.

    PubMed

    Augath, Mark; Heiler, Patrick; Kirsch, Stefan; Schad, Lothar R

    2009-09-01

    The maintenance of a gradient of potassium and sodium ions across the cell membranes is essential for the physiological function of the mammal organism. The measurement of the spatial distribution of pathologically changing ion concentrations of (23)Na and (39)K with magnetic resonance imaging offers a promising approach in clinical diagnostics to measure tissue viability. Existing studies were focused mainly on (23)Na imaging as well as spectroscopy with only one post-mortem study for (39)K imaging. In this paper a triple resonant RF coil setup for the rat head at 9.4T is presented for imaging of both nuclei ((23)Na and (39)K) and the acquisition of anatomical proton images in the same experiment without moving the subject or the RF coil. In vivo MR images of (39)K and (23)Na in the rat brain were acquired as well as anatomical proton images in the same scanning session.

  15. In vivo39K, 23Na and 1H MR imaging using a triple resonant RF coil setup

    NASA Astrophysics Data System (ADS)

    Augath, Mark; Heiler, Patrick; Kirsch, Stefan; Schad, Lothar R.

    2009-09-01

    The maintenance of a gradient of potassium and sodium ions across the cell membranes is essential for the physiological function of the mammal organism. The measurement of the spatial distribution of pathologically changing ion concentrations of 23Na and 39K with magnetic resonance imaging offers a promising approach in clinical diagnostics to measure tissue viability. Existing studies were focused mainly on 23Na imaging as well as spectroscopy with only one post-mortem study for 39K imaging. In this paper a triple resonant RF coil setup for the rat head at 9.4 T is presented for imaging of both nuclei (23Na and 39K) and the acquisition of anatomical proton images in the same experiment without moving the subject or the RF coil. In vivo MR images of 39K and 23Na in the rat brain were acquired as well as anatomical proton images in the same scanning session.

  16. Interface Induced Growth and Transformation of Polymer-Conjugated Proto-Crystalline Phases in Aluminosilicate Hybrids: A Multiple-Quantum (23)Na-(23)Na MAS NMR Correlation Spectroscopy Study.

    PubMed

    Brus, Jiri; Kobera, Libor; Urbanova, Martina; Doušová, Barbora; Lhotka, Miloslav; Koloušek, David; Kotek, Jiří; Čuba, Pavel; Czernek, Jiri; Dědeček, Jiří

    2016-03-22

    Nanostructured materials typically offer enhanced physicochemical properties because of their large interfacial area. In this contribution, we present a comprehensive structural characterization of aluminosilicate hybrids with polymer-conjugated nanosized zeolites specifically grown at the organic-inorganic interface. The inorganic amorphous Al-O-Si framework is formed by alkali-activated low-temperature transformation of metakaoline, whereas simultaneous copolymerization of organic comonomers creates a secondary epoxide network covalently bound to the aluminosilicate matrix. This secondary epoxide phase not only enhances the mechanical integrity of the resulting hybrids but also introduces additional binding sites accessible for compensating negative charge on the aluminosilicate framework. This way, the polymer network initiates growth and subsequent transformation of protocrystalline short-range ordered zeolite domains that are located at the organic-inorganic interface. By applying an experimental approach based on 2D (23)Na-(23)Na double-quantum (DQ) MAS NMR spectroscopy, we discovered multiple sodium binding sites in these protocrystalline domains, in which immobilized Na(+) ions form pairs or small clusters. It is further demonstrated that these sites, the local geometry of which allows for the pairing of sodium ions, are preferentially occupied by Pb(2+) ions during the ion exchange. The proposed synthesis protocol thus allows for the preparation of a novel type of geopolymer hybrids with polymer-conjugated zeolite phases suitable for capturing and storage of metal cations. The demonstrated (23)Na-(23)Na DQ MAS NMR combined with DFT calculations represents a suitable approach for understanding the role of Na(+) ions in aluminositicate solids and related inorganic-organic hybrids, particularly their specific arrangement and clustering at interfacial areas.

  17. Relative affinities of divalent polyamines and of their N-methylated analogues for helical DNA determined by 23Na NMR.

    PubMed

    Padmanabhan, S; Brushaber, V M; Anderson, C F; Record, M T

    1991-07-30

    Interactions of divalent polyamines with double-helical DNA in aqueous solution are investigated by monitoring the decrease in 23Na NMR relaxation rates as NaDNA is titrated with H3N(+)-(CH2)m-+NH3, where m = 3, 4, 5, or 6. Analogous measurements are made for the same homologous series of methylated polyamines (methonium ions). The dependence of the 23Na relaxation rates on the amount of added divalent cation (M2+) is analyzed quantitatively in terms of a two-state model. The sodium ions are assumed to be in rapid exchange between a "bound" state, where they are close enough to DNA so that it affects their relaxation rate, and a "free" state in bulk solution, where their relaxation rate is the same as in solutions containing no DNA. The distribution of Na+ and M2+ between these states is described quantitatively in terms of an ion-exchange parameter: DM = (pMB)(1-pNaB)n/(pNaB)n(1-pMB), where pNaB and pMB are the fractions of Na+ and M2+ that are close enough to DNA to be considered bound (by the NMR criterion), and n is the number of sodium ions displaced from DNA by the binding of one M2+ ion. For each of the polyamines and methonium ions investigated here, equations derived from this two-state model yield acceptable fittings of the titration curves if roNa, the number of sodium ions bound per DNA phosphate when no competing cations are present, is assigned a value between 0.6 and 1.00. Within this range, changing the value assigned to roNa does change the best-fitted values of DM determined for these polyamines (DH) and for the methonium ions (DMe) but does not alter the following conclusions about the trends in these parameters. (1) For polyamines and methonium ions of the same m, DH exceeds DMe by factors that are significantly larger for m = 3 and 4 than for m = 5 and 6. (2) DH for m = 3 and 4 is larger than DH for m = 5 and 6. (3) DMe for m = 3 and 4 is smaller than DMe for m = 5 and 6.

  18. Characterization of Sodium Mobility and Binding by (23) Na NMR Spectroscopy in a Model Lipoproteic Emulsion Gel for Sodium Reduction.

    PubMed

    Okada, Kyle S; Lee, Youngsoo

    2017-07-01

    The effects of formulation and processing parameters on sodium availability in a model lipid/protein-based emulsion gel were studied for purposes of sodium reduction. Heat-set model gels were prepared with varying levels of protein, lipid, and NaCl contents and high pressure homogenization treatments. Single quantum and double quantum-filtered (23) Na NMR spectroscopy experiments were used to characterize sodium mobility, structural order around "bound" (restricted mobility) sodium, and sodium binding, which have been correlated to saltiness perception in food systems previously. Total sodium mobility was lower in gels with higher protein or fat content, and was not affected by changes in homogenization pressure. The gels with increased protein, fat, or homogenization pressure had increased structure surrounding "bound" sodium and more relative "bound" sodium due to increased interfacial protein interactions. The data obtained in this study provide information on factors affecting sodium availability, which can be applied towards sodium reduction in lipid/protein-based foods. © 2017 Institute of Food Technologists®.

  19. Distribution and mobility of phosphates and sodium ions in cheese by solid-state 31P and double-quantum filtered 23Na NMR spectroscopy.

    PubMed

    Gobet, Mallory; Rondeau-Mouro, Corinne; Buchin, Solange; Le Quéré, Jean-Luc; Guichard, Elisabeth; Foucat, Loïc; Moreau, Céline

    2010-04-01

    The feasibility of solid-state magic angle spinning (MAS) (31)P nuclear magnetic resonance (NMR) spectroscopy and (23)Na NMR spectroscopy to investigate both phosphates and Na(+) ions distribution in semi-hard cheeses in a non-destructive way was studied. Two semi-hard cheeses of known composition were made with two different salt contents. (31)P Single-pulse excitation and cross-polarization MAS experiments allowed, for the first time, the identification and quantification of soluble and insoluble phosphates in the cheeses. The presence of a relatively 'mobile' fraction of colloidal phosphates was evidenced. The detection by (23)Na single-quantum NMR experiments of all the sodium ions in the cheeses was validated. The presence of a fraction of 'bound' sodium ions was evidenced by (23)Na double-quantum filtered NMR experiments. We demonstrated that NMR is a suitable tool to investigate both phosphates and Na(+) ions distributions in cheeses. The impact of the sodium content on the various phosphorus forms distribution was discussed and results demonstrated that NMR would be an important tool for the cheese industry for the processes controls.

  20. Optimized cartilage visualization using 7-T sodium ((23)Na) imaging after patella dislocation.

    PubMed

    Widhalm, Harald K; Apprich, Sebastian; Welsch, Goetz H; Zbyn, Stefan; Sadoghi, Patrick; Vekszler, György; Hamböck, Martina; Weber, Michael; Hajdu, Stefan; Trattnig, Siegfried

    2016-05-01

    Retropatellar cartilage lesions often occur in the course of recurrent patella dislocation. Aim of this study was to develop a more detailed method for examining cartilage tissue, in order to reduce patient discomfort and time of care. For detailed diagnosing, a 7-T MRI of the knee joint and patella was performed in nine patients, with mean age of 26.4 years, after patella dislocation to measure the cartilage content in three different regions of interest of the patella. Axial sodium ((23)Na) images were derived from an optimized 3D GRE sequence on a 7-T MR scanner. Morphological cartilage grading was performed, and sodium signal-to-noise ratio (SNR) values were calculated. Mean global sodium values and SNR were compared between patients and volunteers. Two out of nine patients showed a maximum cartilage defect of International Cartilage Repair Society (ICRS) grade 3, three of grade 2, three of  grade 1, and one patient showed no cartilage defect. The mean SNR in sodium images for cartilage was 13.4 ± 2.5 in patients and 14.6 ± 3.7 in volunteers (n.s.). A significant negative correlation between age and global sodium SNR for cartilage was found in the medial facet (R = -0.512; R (2) = 0.26; p = 0.030). Mixed-model ANOVA yielded a marked decrease of the sodium SNR, with increasing grade of cartilage lesions (p < 0.001). Utilization of the (23)Na MR imaging will make earlier detection of alterations to the patella cartilage after dislocation possible and will help prevent subsequent disease due to start adequate therapy earlier in the rehabilitation process. II.

  1. Influence of sodium ion dynamics on the 23Na quadrupolar interaction in sodalite: a high-temperature 23Na MAS NMR study.

    PubMed

    Fechtelkord, M

    2000-01-01

    High-temperature 33Na MAS NMR experiments up to 873 K for a number of different sodalites (Na8[AlSiO4]6(NO3)2, Na8[AlSiO4]6(NO2)2, Na8[AlSiO4]6I2, Na7.9[AlSiO4]6(SCN)7.9 x 0.5H2O, Na8[AlGeO4]6(NO3)2, and Na7[AlSiO4]6(H3O2) x 4H2O) were carried out. The spectra of the first five sodalites consist of a quadrupolar MAS pattern with different quadrupolar coupling constants. The quadrupolar interaction for the thiocyanate sodalite, the nitrate aluminosilicate, and germanate sodalite decreases strongly passing a coalescence state on heating, while the quadrupolar interaction of the iodide and nitrite sample shows nearly no change. The basic hydrosodalite shows an asymmetric lineshape at room temperature and, between 350 and 370 K, a second line due to the evaporation of cage-water emerges. The linewidth increases with rising temperature. The temperature dependence of the quadrupolar interaction seems to be a function of the sodalite beta-cage expansion. Two conceivable jump mechanisms are proposed for a tetrahedral two-site jump between occupied and unoccupied tetrahedral sites.

  2. Lead exchange into zeolite and clay minerals: A [sup 29]Si, [sub 27]Al, [sup 23]Na solid-state NMR study

    SciTech Connect

    Liang, J.J.; Sherriff, B.L. )

    1993-08-01

    Chabazite, vermiculite, montmorillonite, hectorite, and kaolinite were used to remove Pb, through ion exchange, from 0.01 M aqueous Pb(NO[sub 3])[sub 2] solutions. These minerals contained 27 (Na-chabazite), 16, 9, 9, and 0.5 wt % of Pb, respectively, after equilibration with the solutions. Ion exchange reached equilibrium within 24 h for Na-chabazite and vermiculite, but in less than 5 min for montmorillonite and hectorite. Na-chabazite took up more Pb than natural (Ca, Na)-chabazite (7 wt % Pb), whereas no such difference was observed in different cation forms of the clay minerals. Calcite impurities, associated with the clay minerals, effectively removed Pb from the aqueous solutions by the precipitation of cerussite (PbCO[sub 3]). [sup 29]Si, [sup 27]Al, and [sup 23]Na magic angle spinning (MAS) nuclear magnetic resonance (NMR), [sup 23]Na double rotation (DOR) NMR, and [sup 23]Na variable-temperature MAS NMR were used to study the ion exchange mechanisms. In Na-chabazite, cations in all three possible sites take part in the fast chemical exchange. The chemical exchange passes from the fast exchange regime to the slow regime at [minus]80 to [minus]100[degrees]C. One site contains a relatively low population of exchangeable cations. The other two more shielded sites contain most of the exchangeable cation. The exchangeable cations in chabazite and vermiculite were found to be close to the SiO[sub 4] and AlO[sub 4] tetrahedra, while those in the other clay minerals were more distant. Two sites (or groups of sites) for exchangeable cations were observed in hectorite. Lead tended to occupy the one which corresponds to the [minus]8 ppM peak on the [sup 23]Na MAS NMR spectrum. The behavior of the exchangeable cations in the interlayer sites was similar in all the clay minerals studied. 27 refs., 7 figs., 4 tabs.

  3. Temperature calibration for high-temperature MAS NMR to 913 K: 63Cu MAS NMR of CuBr and CuI, and 23Na MAS NMR of NaNbO3.

    PubMed

    Wu, Jingshi; Kim, Namjun; Stebbins, Jonathan F

    2011-09-01

    The solid-state phase transitions of CuBr, CuI and NaNbO(3) can be readily observed using (63)Cu and (23)Na high-temperature magic-angle spinning nuclear magnetic resonance spectroscopy. Temperature has large, linear effects on the peak maximum of (63)Cu in each solid phase of CuBr and CuI, and there is large jump in shift across each phase transition. The (23)Na MAS NMR peak intensities and the line widths in NaNbO(3) also clearly show its high-temperature transition to the cubic phase. These data can be used to calibrate high-temperature MAS NMR probes up to 913 K, which is two hundred degrees higher than the commonly-used temperature calibration based on the chemical shift of (207)Pb in Pb(NO(3))(2). Copyright © 2011 Elsevier Inc. All rights reserved.

  4. Multiple quantum filtered 23Na NMR in the Langendorff perfused mouse heart: Ratio of triple/double quantum filtered signals correlates with [Na]i

    PubMed Central

    Eykyn, Thomas R.; Aksentijević, Dunja; Aughton, Karen L.; Southworth, Richard; Fuller, William; Shattock, Michael J.

    2015-01-01

    We investigate the potential of multiple quantum filtered (MQF) 23Na NMR to probe intracellular [Na]i in the Langendorff perfused mouse heart. In the presence of Tm(DOTP) shift reagent the triple quantum filtered (TQF) signal originated largely from the intracellular sodium pool with a 32 ± 6% contribution of the total TQF signal arising from extracellular sodium, whilst the rank 2 double-quantum filtered signal (DQF), acquired with a 54.7° flip-angle pulse, originated exclusively from the extracellular sodium pool. Given the different cellular origins of the 23Na MQF signals we propose that the TQF/DQF ratio can be used as a semi-quantitative measure of [Na]i in the mouse heart. We demonstrate a good correlation of this ratio with [Na]i measured with shift reagent at baseline and under conditions of elevated [Na]i. We compare the measurements of [Na]i using both shift reagent and TQF/DQF ratio in a cohort of wild type mouse hearts and in a transgenic PLM3SA mouse expressing a non-phosphorylatable form of phospholemman, showing a modest but measurable elevation of baseline [Na]i. MQF filtered 23Na NMR is a potentially useful tool for studying normal and pathophysiological changes in [Na]i, particularly in transgenic mouse models with altered Na regulation. PMID:26196304

  5. Multiple quantum filtered (23)Na NMR in the Langendorff perfused mouse heart: Ratio of triple/double quantum filtered signals correlates with [Na]i.

    PubMed

    Eykyn, Thomas R; Aksentijević, Dunja; Aughton, Karen L; Southworth, Richard; Fuller, William; Shattock, Michael J

    2015-09-01

    We investigate the potential of multiple quantum filtered (MQF) (23)Na NMR to probe intracellular [Na]i in the Langendorff perfused mouse heart. In the presence of Tm(DOTP) shift reagent the triple quantum filtered (TQF) signal originated largely from the intracellular sodium pool with a 32±6% contribution of the total TQF signal arising from extracellular sodium, whilst the rank 2 double-quantum filtered signal (DQF), acquired with a 54.7° flip-angle pulse, originated exclusively from the extracellular sodium pool. Given the different cellular origins of the (23)Na MQF signals we propose that the TQF/DQF ratio can be used as a semi-quantitative measure of [Na]i in the mouse heart. We demonstrate a good correlation of this ratio with [Na]i measured with shift reagent at baseline and under conditions of elevated [Na]i. We compare the measurements of [Na]i using both shift reagent and TQF/DQF ratio in a cohort of wild type mouse hearts and in a transgenic PLM(3SA) mouse expressing a non-phosphorylatable form of phospholemman, showing a modest but measurable elevation of baseline [Na]i. MQF filtered (23)Na NMR is a potentially useful tool for studying normal and pathophysiological changes in [Na]i, particularly in transgenic mouse models with altered Na regulation.

  6. Triple-Quantum-Filtered 23Na NMR Spectroscopy of Subcutaneously Implanted 9L Gliosarcoma in the Rat in the Presence of TmDOTP 5-

    NASA Astrophysics Data System (ADS)

    Winter, Patrick M.; Bansal, Navin

    2001-09-01

    The utility of triple-quantum (TQ)-filtered 23Na NMR spectroscopy for discriminating between intra- and extracellular Na+(Nai+ and Nae+, respectively) in a solid tumor in vivo was evaluated using TmDOTP5- as a 23Na shift reagent. Infusion of 80 mM TmDOTP5- without added Ca2+ produced baseline-resolved Nai+ and Nae+ peaks in both single-quantum (SQ) and TQ-filtered 23Na spectra. The Nai+ signal represented 22±4% of the SQ spectrum, but 59±10% of the TQ-filtered spectrum. Therefore, the Nai+ contribution in TQ-filtered spectra is much higher than in SQ spectra. Both SQ and TQ-filtered Nai+ signals increased by about 75% 1 h after sacrificing the animal. The TQ-filtered relaxation times did not change during this time, indicating that changes observed in TQ-filtered spectra collected with a preparation time of 3 ms represent changes in the concentration of sodium ions contributing to the TQ-filtered signal. Similar experiments were conducted without TmDOTP5- to determine changes in the Nae+ signal in the absence of the shift reagent. The changes in total SQ and TQ-filtered signals 1 h after sacrificing the animal showed that the SQ Nae+ signal decreased by approximately 35%, while the TQ-filtered Nae+ signal did not change significantly. This demonstrates that the TQ-filtered 23Na signal is relatively insensitive to changes in Nae+ content. To our knowledge, this work represents the first evaluation of multiple-quantum-filtered 23Na spectroscopy to discriminate between intra- and extracellular Na+ in a solid tumor in vivo.

  7. Evaluation of adaptive combination of 30-channel head receive coil array data in 23Na MR imaging.

    PubMed

    Benkhedah, Nadia; Hoffmann, Stefan H; Biller, Armin; Nagel, Armin M

    2016-02-01

    The aim was to optimally combine multichannel coil array data in sodium ((23) Na) MRI. (23) Na MRI was conducted on a 3 Tesla MR system using a 30-channel head receive coil array. The parameters used for the adaptive combination (ADC) reconstruction of the low signal-to-noise ratio (SNR) dataset have been optimized by finding the maximum mean SNR. A pseudo multiple-replica approach has been used to obtain SNR maps of the combined images. To prove reproducibility of the combination algorithm, the procedure was repeated for several measurements. For low SNR data, sum-of-squares (SOS) reconstruction leads to high background noise and a signal bias in the imaged object. The ADC reconstruction clearly reduces noise in the image and leads to an increase of the mean SNR in the range of 8% to 50%, compared to weighted SOS depending on the absolute SNR of the image. The evaluation of the effects of different noise scans showed that a small number of projections can be used to estimate noise statistics of the coil array without substantially decreasing the resulting SNR. (23) Na MRI can be markedly improved by using a 30-channel receive array and ADC reconstruction. The ADC reconstruction showed robust results for all measurements without the need for sensitivity maps. © 2015 Wiley Periodicals, Inc.

  8. Cellular cation transport studied by 6/7Li and 23Na NMR in a porous Mo132 Keplerate type nano-capsule as model system.

    PubMed

    Rehder, Dieter; Haupt, Erhard T K; Müller, Achim

    2008-01-01

    Li+ ions can interplay with other cations intrinsically present in the intra- and extra-cellular space (i.e. Na+, K+, Mg2+ and Ca2+) have therapeutic effects (e.g. in the treatment of bipolar disorder) or toxic effects (at higher doses), likely because Li+ interferes with the intra-/extra-cellular concentration gradients of the mentioned physiologically relevant cations. The cellular transmembrane transport can be modelled by molybdenum-oxide-based Keplerates, i.e. nano-sized porous capsules containing 132 Mo centres, monitored through 6/7Li as well as 23Na NMR spectroscopy. The effects on the transport of Li+ cations through the 'ion channels' of these model cells, caused by variations in water amount, temperature, and by the addition of organic cationic 'plugs' and the shift reagent [Dy(PPP)2](7-) are reported. In the investigated solvent systems, water acts as a transport mediator for Li+. Likewise, the counter-transport (Li+/Na+, Li+/K+, Li+/Cs+ and Li+/Ca2+) has been investigated by 7Li NMR and, in the case of Li+/Na+ exchange, by 23Na NMR, and it has been shown that most (in the case of Na+ and K+, all (Ca2+) or almost none (Cs+) of the Li cations is extruded from the internal sites of the artificial cell to the extra-cellular medium, while Na+, K+ and Ca2+ are partially incorporated.

  9. In Situ 13C and 23Na Magic Angle Spinning NMR Investigation of Supercritical CO2 Incorporation in Smectite-Natural Organic Matter Composites

    SciTech Connect

    Bowers, Geoffrey M.; Hoyt, David W.; Burton, Sarah D.; Ferguson, Brennan O.; Varga, Tamas; Kirkpatrick, Robert J.

    2014-01-29

    This paper presents an in situ NMR study of clay-natural organic polymer systems (a hectoritehumic acid [HA] composite) under CO2 storage reservoir conditions (90 bars CO2 pressure, 50°C). The 13C and 23Na NMR data show that supercritical CO2 interacts more strongly with the composite than with the base clay and does not react to form other C-containing species over several days at elevated CO2. With and without organic matter, the data suggest that CO2 enters the interlayer space of Na-hectorite equilibrated at 43% relative humidity. The presence of supercritical CO2 also leads to increased 23Na signal intensity, reduced line width at half height, increased basal width, more rapid 23Na T1 relaxation rates, and a shift to more positive resonance frequencies. Larger changes are observed for the hectorite-HA composite than for the base clay. In light of recently reported MD simulations of other polymer-Na-smectite composites, we interpret the observed changes as an increase in the rate of Na+ site hopping in the presence of supercritical CO2, the presence of potential new Na+ sorption sites when the humic acid is present, and perhaps an accompanying increase in the number of Na+ ions actively involved in site hopping. The results suggest that the presence of organic material either in clay interlayers or on external particle surfaces can significantly affect the behavior of supercritical CO2 and the mobility of metal ions in reservoir rocks.

  10. Solid state {sup 31}P/{sup 27}Al and {sup 31}P/{sup 23}Na MAS NMR dipolar dephasing investigations of connectivity in sodium aluminophosphate glasses

    SciTech Connect

    LANG,DAVID P.; ALAM,TODD M.; BENCOE,DENISE N.

    2000-05-01

    Solid state {sup 31}P/{sup 27}Al and {sup 31}P/{sup 23}Na MAS NMR dipolar dephasing experiments have been used to investigate the spatial distribution of aluminum and sodium cations with respect to the phosphate backbone for a series of sodium aluminophosphate glasses, xAl{sub 2}O{sub 3}{center_dot}50Na{sub 2}O{center_dot}(50{minus}x)P{sub 2}O{sub 5} (0{le} x {le} 17.5). From the {sup 31}P/{sup 27}Al and {sup 31}P/{sup 23}Na connectivity data gathered, information about the medium range order in these glasses is obtained. The expanded connectivity data allows for better identification and interpretation of the new resonances observed in the {sup 31}P MAS NMR spectra with the addition of alumina. The results of the dipolar dephasing experiments show that the sodium-phosphate distribution remains relatively unchanged for the glass series, and that the addition of aluminum occurs primarily through the depolymerization of the phosphate tetrahedral backbone.

  11. (23)Na multiple-quantum MAS NMR of the perovskites NaNbO(3) and NaTaO(3).

    PubMed

    Ashbrook, Sharon E; Le Pollès, Laurent; Gautier, Régis; Pickard, Chris J; Walton, Richard I

    2006-08-07

    The distorted perovskites NaTaO(3) and NaNbO(3) have been studied using (23)Na multiple-quantum (MQ) MAS NMR. NaTaO(3) was prepared by high temperature solid state synthesis and the NMR spectra are consistent with the expected room temperature structure of the material (space group Pbnm), with a single crystallographic sodium site. Two samples of NaNbO(3) were studied. The first, a commercially available sample which was annealed at 900 degrees C, showed two crystallographic sodium sites, as expected for the room temperature structure of the material (space group Pbcm). The second sample, prepared by a low temperature hydrothermal method, showed the presence of four sodium sites, two of which match the expected room temperature structure and the second pair, another polymorph of the material (space group P21ma). This is consistent with powder X-ray diffraction data which showed weak extra peaks which can be accounted for by the presence of this second polymorph. Density functional theory (DFT) calculations support our conclusions, and aid assignment of the NMR spectra. Finally, we discuss the measured NMR parameters in relation to other studies of sodium in high coordination sites in the solid state.

  12. Adsorption of polycations on clays: A comparative in situ study using {sup 133}Cs and {sup 23}Na solution phase NMR

    SciTech Connect

    Billingham, J.; Breen, C.; Rawson, J.O.; Yarwood, J.; Mann, B.E.

    1997-09-15

    {sup 23}Na solution phase NMR has been evaluated as an in situ probe to study the adsorption of tetramethylammonium (TMA{sup +}) and two polycations, FL17 and Magnafloc 1697, onto clays in aqueous suspensions containing 2.5 mass% low iron Texas bentonite. The NMR data shows the effectiveness of the organocations at displacing Na{sup +} from the bentonite surface. This information has been correlated with that obtained from particle-size and electrophoretic measurements in aqueous solution, together with information from adsorption isotherms. These results have been compared to those obtained in parallel studies using {sup 133}Cs solution phase NMR. FL17 and 1697 both exhibited high affinity adsorption isotherms on Na{sup +}- and Cs{sup +}-clay, whereas the adsorption of TMA{sup +}, which represents the cationic portion of the polymers was of lower affinity. Na{sup +}-bentonite adsorbed almost twice the amount of polycation required to fulfill the cation-exchange capacity (CEC) of the bentonite. The electrophoretic and particle size data indicated significant differences in the size of the polycation/clay flocs and the amount of polymer adsorbed on the external faces of the flocs in the presence of Na{sup +}- and Cs{sup +}-exchange ions. Correlation of this data with the NMR results suggests that the Na{sup +}-bentonite/polycation flocs are large, of low density, and that the polycation is concentrated in the interior while the Na{sup +}-ions occupy exchange sites on the external faces.

  13. Apparatus for rapid adjustment of the degree of alignment of NMR samples in aqueous media: Verification with residual quadrupolar splittings in 23Na and 133Cs spectra

    NASA Astrophysics Data System (ADS)

    Kuchel, Philip W.; Chapman, Bogdan E.; Müller, Norbert; Bubb, William A.; Philp, David J.; Torres, Allan M.

    2006-06-01

    NMR spectra of 23Na + and 133Cs + in gelatine in a silicone rubber tube that was stretched to various extents showed remarkably reproducible resonance multiplicity. The relative intensities of the components of the split peaks had ratios, 3:4:3, and 7:12:15:16:15:12:7, respectively, that conformed with those predicted using a Mathematica program. The silicone-rubber tube was sealed at its lower end by a small rubber stopper and placed inside a thick-walled glass tube. Gelatine was injected in solution into the silicone tube and 'set' by cooling below 30 °C. A plastic thumb-screw held the silicone tube at various degrees of extension, up to ˜2-fold. After constituting the gel in buffers containing NaCl and CsCl, both 23Na and 133Cs NMR spectroscopy revealed that after stretching the initial single Lorentzian line was split into a well-resolved triplet and a heptet, respectively. This was interpreted as being due to coupling between the electric quadrupoles of the nuclei and the average electric field gradient tensor of the collagen molecules of gelatine; these molecules became progressively more aligned in the direction of the main magnetic field, B0, of the vertical bore magnet, as the gel was stretched. This apparatus provides a simple way of demonstrating fundamental physical characteristics of quadrupolar cations, some characteristics of gelatine under stretching, and a way to invoke static distortion of red blood cells. It should be useful with these and other cell types, for studies of metabolic and membrane transport characteristics that may change when the cells are distorted, and possibly for structural studies of macromolecules.

  14. Competition between Na + and Li + for Unsealed and Cytoskeleton-Depleted Human Red Blood Cell Membrane: A 23Na Multiple Quantum Filtered and 7Li NMR Relaxation Study

    NASA Astrophysics Data System (ADS)

    Srinivasan, Chandra; Minadeo, Nicole; Toon, Jason; Graham, Daniel; Mota de Freitas, Duarte; Geraldes, Carlos F. G. C.

    1999-09-01

    Evidence for competition between Li+ and Na+ for binding sites of human unsealed and cytoskeleton-depleted human red blood cell (csdRBC) membranes was obtained from the effect of added Li+ upon the 23Na double quantum filtered (DQF) and triple quantum filtered (TQF) NMR signals of Na+-containing red blood cell (RBC) membrane suspensions. We found that, at low ionic strength, the observed quenching effect of Li+ on the 23Na TQF and DQF signal intensity probed Li+/Na+ competition for isotropic binding sites only. Membrane cytoskeleton depletion significantly decreased the isotropic signal intensity, strongly affecting the binding of Na+ to isotropic membrane sites, but had no effect on Li+/Na+ competition for those sites. Through the observed 23Na DQF NMR spectra, which allow probing of both isotropic and anisotropic Na+ motion, we found anisotropic membrane binding sites for Na+ when the total ionic strength was higher than 40 mM. This is a consequence of ionic strength effects on the conformation of the cytoskeleton, in particular on the dimer-tetramer equilibrium of spectrin. The determinant involvement of the cytoskeleton in the anisotropy of Na+ motion at the membrane surface was demonstrated by the isotropy of the DQF spectra of csdRBC membranes even at high ionic strength. Li+ addition initially quenched the isotropic signal the most, indicating preferential Li+/Na+ competition for the isotropic membrane sites. High ionic strength also increased the intensity of the anisotropic signal, due to its effect on the restructuring of the membrane cytoskeleton. Further Li+ addition competed with Na+ for those sites, quenching the anisotropic signal. 7Li T1 relaxation data for Li+-containing suspensions of unsealed and csdRBC membranes, in the absence and presence of Na+ at low ionic strength, showed that cytoskeleton depletion does not affect the affinity of Na+ for the RBC membrane, but increases the affinity of Li+ by 50%. This clearly indicates that cytoskeleton

  15. Investigation of cation environment and framework changes in silicotitanate exchange materials using solid-state 23Na, 29Si, and 133Cs MAS NMR

    NASA Astrophysics Data System (ADS)

    Cherry, Brian R.; Nyman, May; Alam, Todd M.

    2004-06-01

    Crystalline silicotitanate (CST), HNa 3Ti 4Si 2O 14·4H 2O and the Nb-substituted CST (Nb-CST), HNa 2Ti 3NbSi 2O 14·4H 2O, are highly selective Cs + sorbents, which makes them attractive materials for the selective removal of radioactive species from nuclear waste solutions. The structural basis for the improved Cs + selectivity in the niobium analogs was investigated through a series of solid-state magic angle spinning (MAS) NMR experiments. Changes in the local environment of the Na + and Cs + cations in both CST and Nb-CST materials as a function of weight percent cesium exchange were investigated using 23Na and 133Cs MAS NMR. Framework changes induced by Cs + loading and hydration state were investigated with 29Si MAS NMR. Multiple Cs + environments were observed in the CST and Nb-CST material. The relative population of these different Cs + environments varies with the extent of Cs + loading. Marked changes in the framework Si environment were noted with the initial incorporation of Cs +, however with increased Cs + loading the impact to the Si environment becomes less pronounced. The Cs + environment and Si framework structure were influenced by the Nb-substitution and were greatly affected by the amount of water present in the materials. The increased Cs + selectivity of the Nb-CST materials arises from both the chemistry and geometry of the tunnels and pores.

  16. Structural characterization of hydrated poly(aspartic acid) sodium and poly(aspartic acid) sodium/poly(vinyl alcohol) blends by high-resolution solid-state 23Na NMR

    NASA Astrophysics Data System (ADS)

    Wang, P.; Ando, I.

    1999-09-01

    The structure of hydrated poly(aspartic acid) sodium (PAANa) and in blended PAANa, which was blended with poly(vinyl alcohol) (PVA), is characterized by means of high-resolution solid-state 23Na NMR. There are two peaks in dried pure PAANa, which are assigned to associated ions (about -16 ppm) and isolated ions or end group ions of PAANa (7.2 ppm), respectively. With an increase in hydration, the 23Na chemical shifts of these two peaks are changed to tend toward 0 ppm, and the line width at half the height of the 23Na resonance decreases. In contrast, in the blended samples, the 23Na resonance shapes and chemical shift values are significantly changed depending on the ratio of the PAANa/PVA blends and the temperature. On the basis of these experimental results, the structure of the blends was elucidated.

  17. Sodium-23 magnetic resonance imaging during and after transient cerebral ischemia: multinuclear stroke protocols for double-tuned 23Na/1H resonator systems

    NASA Astrophysics Data System (ADS)

    Wetterling, Friedrich; Ansar, Saema; Handwerker, Eva

    2012-11-01

    A double-tuned 23Na/1H resonator system was developed to record multinuclear MR image data during and after transient cerebral ischemia. 1H-diffusion-, 1H perfusion, 1H T2-, 1H arterial blood flow- and 23Na spin density-weighted images were then acquired at three time points in a rodent stroke model: (I) during 90 min artery occlusion, (II) directly after arterial reperfusion and (III) one day after arterial reperfusion. Normal 23Na was detected in hypoperfused stroke tissue which exhibited a low 1H apparent diffusion coefficient (ADC) and no changes in 1H T2 relaxation time during transient ischemia, while 23Na increased and ADC values recovered to normal values directly after arterial reperfusion. For the first time, a similar imaging protocol was set-up on a clinical 3T MRI site in conjunction with a commercial double-tuned 1H/23Na birdcage resonator avoiding a time-consuming exchange of resonators or MRI systems. Multinuclear 23Na/1H MRI data sets were obtained from one stroke patient during both the acute and non-acute stroke phases with an aquisition time of 22 min. The lesion exhibiting low ADC was found to be larger compared to the lesion with high 23Na at 9 h after symptom onset. It is hoped that the presented pilot data demonstrate that fast multinuclear 23Na/1H MRI preclinical and clinical protocols can enable a better understanding of how temporal and regional MRI parameter changes link to pathophysiological variations in ischemic stroke tissue.

  18. In vivo sup 23 Na and sup 31 P NMR measurement of a tonoplast Na sup + /H sup + exchange process and its characteristics in two barley cultivars

    SciTech Connect

    Fan, T.W.M.; Norlyn, J.; Epstein, E. ); Higashi, R.M. )

    1989-12-01

    A Na{sup +} uptake-associated vacuolar alkalinization was observed in roots of two barley cultivars (Arivat and the more salt-tolerant California Mariout) by using {sup 23}Na and {sup 31}P in vivo NMR spectroscopy. A NaCl uptake-associated broadening was also noted for both vacuolar P{sub i} and intracellular Na NMR peaks, consistent with Na{sup +} uptake into the same compartment as the vacuolar P{sub i}. A close coupling of Na{sup +} with H{sup +} transport (presumably the Na{sup +}/H{sup +} antiport) in vivo was evidence by qualitative and quantitative correlations between Na{sup +} accumulation and vacuolar alkalinization for both cultivars. Prolongation of the low NaCl pretreatment (30 mM) increased the activity of the putative antiport in Arivat but reduced it in California Mariout. This putative antiport also showed a dependence on NaCl concentration for California Mariout but not for Arivat. No cytoplasmic acidification accompanied the antiporter activity for either cultivar. The response of adenosine phosphates indicated that ATP utilization exceeded the capacity for ATP synthesis in Arivat, but the two processes seemed balanced in California Mariout. These comparisons provide clues to the role of the tonoplast Na{sup +}/H{sup +} antiport and compensatory cytoplasmic adjustments including pH, osymolytes, and energy phosphates in governing the different salt tolerance of the two cultivars.

  19. Multiparametric Magnetic Resonance Imaging, Spectroscopy and Multinuclear (23Na) Imaging Monitoring of Preoperative Chemotherapy for Locally Advanced Breast Cancer

    PubMed Central

    Jacobs, Michael A.; Stearns, Vered; Wolff, Antonio C.; Macura, Katarzyna; Argani, Pedram; Khouri, Nagi; Tsangris, Theodore; Barker, Peter B.; Davidson, Nancy E.; Bhujwalla, Zaver M.; Bluemke, David A.; Ouwerkerk, Ronald

    2010-01-01

    Rationale and Objectives We conducted a prospective study to investigate using multiparametric and multinuclear magnetic resonance imaging(MRI) during preoperative systemic treatment(PST) for locally advanced breast cancer. Methods Women with operable stage II or III breast cancer who received PST were studied using dynamic-contrast-enhanced(DCE)-MRI, spectroscopy(MRS), and (23Na)sodium MR. Quantitative metrics of choline peak signal-to-noise ratios(SNR), total sodium concentration(TSC;mM), tumor volumes and Response Evaluation Criteria In Solid Tumors (RECIST) were determined and compared to final pathological result with ROC analysis. Hormonal markers were investigated. Statistical significance was set at p<0.05. Results Eighteen(n=18) eligible women were studied. Fifteen(n=15) responded to therapy, four(22%) with pathological-complete-response(pCR) and eleven(61%) with a pathological-partial-response(pPR). Three patients(17%) had no response(pNR). Among ER+, HER2+, and Triple Negative(TN) phenotypes, observed frequencies of pCR, pPR, and pNR were 2/5/0, 1/4/0, and 1/1/3, respectively. Responders(pCR and pPR) had the largest reduction in choline SNR (35%:7.2±2.3 to 4.6±2;p<0.01) compared to pNR(11%:8.4±2.7 to 7.5±3.6;p=0.13) after the first cycle. TSC significantly decreased in responders(27%:66±18 to 48.4±8mM;p=0.01), while there was little change in non-responders(51.7±7.6 to 56.5±1.6;p=0.50). Lesion volume decreased in responders(40%:78±78 to 46±51mm3;p=0.01) and nonresponders(21%:100±104 to 79.2±87 mm3;p=0.23) after the first cycle. The largest reduction in RECIST occurred after the first treatment in responders(18%:24.5±20 to 20.2±18mm;p=0.01) with a slight decrease in tumor diameter noted in nonresponders(17%;23±19 to 19.2±19.1mm;p=0.80). Conclusion Multiparametric and Multinuclear imaging parameters were significantly reduced after the first cycle of PST in responders, specifically, Choline SNR and Sodium. These new surrogate radiological

  20. Quantification of the Contribution of Extracellular Sodium to 23Na Multiple-Quantum-Filtered NMR Spectra of Suspensions of Human Red Blood Cells

    NASA Astrophysics Data System (ADS)

    Knubovets, Tatyana; Shinar, Hadassah; Navon, Gil

    1998-03-01

    23Na double-quantum-filtered (DQF) NMR enables the detection of anisotropic motion of sodium ions due to their interaction with ordered structures in biological tissues. Using the technique, anisotropic motion was found for sodium ions in mammalian red blood cell suspensions (RBC) and the effect was shown to correlate with the integrity of membrane cytoskeleton. In the present study relative contributions to the DQF and triple-quantum-filtered (TQF) spectra of sodium bound to anisotropic and isotropic binding sites in the intra- and extracellular sodium pools (Na content being 15 and 150 mM, respectively) of human RBC were quantified for different hematocrits. DQF spectra were measured by a modified Jeener-Broekaert pulse sequence which enabled exclusive detection of anisotropically moving sodium ions. The relative contributions of the extracellular sodium to the TQF and DQF spectra decreased as the hematocrit increased, but their efficiency relative to the sodium content increased. The contribution of the extracellular sodium to the TQF signal was found to dominate the spectrum of the RBC suspension at all hematocrits studied. The contribution of the extracellular sodium to the DQF was significantly smaller than that to the TQF and was only 22% at a high hematocrit of about 90%.

  1. 23Na- and 1H-NMR studies of the action of chlorpromazine and imipramine on nigericin-mediated Na+ transport across phosphatidylcholine vesicular membranes.

    PubMed

    Tanaka, H; Matsunaga, K; Kawazura, H

    1994-03-01

    In order to elucidate the action of chlorpromazine (CPZ) and imipramine (IMP) on nigericin-mediated Na+ transport across phosphatidylcholine vesicular membranes, 23Na nuclear magnetic resonance was applied to the exchange system of Na+ ions present at the same concentration inside and outside unilamellar vesicles. CPZ and IMP added to the vesicles in micromolar concentrations produced an equal increase in the carrier-transport rate. The kinetic analysis, together with 1H-NMR observations of the reduction in membrane fluidity produced by the drugs and on the direct interaction between drugs and nigericin, allowed us to conclude that the drug-induced promotion of transport occurred not from the formation step of the Na(+)-nigericin complex nor from its diffusion step, but from its dissociation step. The formation of an adduct between drug and nigericin could be the cause of the drug effect and this proceeded much more efficiently at a membrane-water interface (stability constant Kb; 3 x 10(5) M-1) than in methanol (Kb; 5 x 10(2) M-1). The reason for the difference is also discussed.

  2. A 23Na Multiple-Quantum-Filtered NMR Study of the Effect of the Cytoskeleton Conformation on the Anisotropic Motion of Sodium Ions in Red Blood Cells

    NASA Astrophysics Data System (ADS)

    Knubovets, Tatyana; Shinar, Hadassah; Eliav, Uzi; Navon, Gil

    1996-01-01

    Recently, it has been shown that23Na double-quantum-filtered NMR spectroscopy can be used to detect anisotropic motion of bound sodium ions in biological systems. The technique is based on the formation of the second-rank tensor when the quadrupolar interaction is not averaged to zero. Using this method, anisotropic motion of bound sodium in human and dog red blood cells was detected, and the effect was shown to depend on the integrity of the membrane cytoskeleton. In the present study, multiple-quantum-filtered techniques were applied in combination with a quadrupolar echo to measure the transverse-relaxation times,T2fandT2s. Line fitting was performed to obtain the values of the residual quadrupolar interaction, which was measured for sodium in a variety of mammalian erythrocytes of different size, shape, rheological properties, and sodium concentrations. Human unsealed white ghosts were used to study sodium bound at the anisotropic sites on the inner side of the RBC membrane. Modulations of the conformation of the cytoskeleton by the variation of either the ionic strength or pH of the suspending medium caused drastic changes in both the residual quadrupolar interaction andT2fdue to changes in the fraction of bound sodium ions as well as changes in the structure of the binding sites. By combining the two spectroscopic parameters, structural change can be followed. The changes in the structure of the sodium anisotropic binding sites deduced by this method were found to correlate with known conformational changes of the membrane cytoskeleton. Variations of the medium pH affected both the fraction of bound sodium ions and the structure of the anisotropic binding sites. Sodium and potassium were shown to bind to the anisotropic binding sites with the same affinity.

  3. Proton, Diffusion-weighted Imaging, and Sodium (23Na) MRI of Uterine Leiomyomata after MR-guided High Intensity Focused Ultrasound: A Preliminary Study

    PubMed Central

    Jacobs, Michael A.; Ouwerkerk, Ronald; Kamel, Ihab; Bottomley, Paul A.; Kim, Hyun S.

    2014-01-01

    Purpose To determine the feasibility of using combined proton (1H), diffusion-weighted imaging (DWI), and sodium (23Na) magnetic resonance imaging (MRI) to monitor the treatment of uterine leiomyomata (fibroids). Materials and Methods Eight patients with uterine leiomyomata were enrolled and treated using MRI-guided high intensity frequency ultrasound surgery (MRg-HIFUS). MRI scans collected at baseline and post-treatment consisted of T2-, T1-, and 1H DWI, as well as post-treatment 23Na MRI. The 23Na and 1H MRi were co-registered using a replacement phantom method. Regions of interest in treated and untreated uterine leiomyoma tissue were drawn on 1H MRI and DWI, wherein the tissue apparent diffusion coefficient of water (ADC) and absolute sodium concentrations were measured. Results Regions of treated uterine tissue were clearly identified on both DWI and 23Na images. The sodium concentrations in normal myometrium tissue were 35.8± 2.1 mmol (mM), in fundus; 43.4± 3.8 mM in bladder; and 65.3± 0.8mM with ADC in normal myometrium of 2.2± 0.3×10-3mm2/sec. Sodium concentration in untreated leiomyomata were 28± 5mM, and were significantly elevated (41.6± 7.6mM p<0.05) after treatment. Apparent diffusion coefficient values in the treated leiomyomata (1.30± 0.38×10-3mm2/sec) were decreased compared to areas of untreated leiomyomata (1.75±0.36×10-3mm2/sec; p=0.04). Conclusion Multiparametric imaging permits identification of uterine leiomyomata, revealing altered 23Na MRI and DWI levels following non-invasive treatment which provides a mechanism to explore the molecular and metabolic pathways after treatment. PMID:19243047

  4. Na+ deposition in the fibrotic skin of systemic sclerosis patients detected by 23Na-magnetic resonance imaging.

    PubMed

    Kopp, Christoph; Beyer, Christian; Linz, Peter; Dahlmann, Anke; Hammon, Matthias; Jantsch, Jonathan; Neubert, Patrick; Rosenhauer, Daniela; Müller, Dominik N; Cavallaro, Alexander; Eckardt, Kai-Uwe; Schett, Georg; Luft, Friedrich C; Uder, Michael; Distler, Jörg H W; Titze, Jens

    2017-04-01

    Skin fibrosis is the predominant feature of SSc and arises from excessive extracellular matrix deposition. Glycosaminoglycans are macromolecules of the extracellular matrix, which facilitate Na + accumulation in the skin. We used 23 Na-MRI to quantify Na + in skin. We hypothesized that skin Na + might accumulate in SSc and might be a biomarker for skin fibrosis. In this observational case-control study, skin Na + was determined by 23 Na-MRI using a Na + volume coil in 12 patients with diffuse cutaneous SSc and in 21 control subjects. We assessed skin fibrosis by the modified Rodnan skin score prior to 23 Na-MRI and on follow-up 12 months later. 23 Na-MRI demonstrated increased Na + in the fibrotic skin of SSc patients compared with skin from controls [mean ( s . d .): 27.2 (5.6) vs 21.4 (5.3) mmol/l, P < 0.01]. Na + content was higher in fibrotic than in non-fibrotic SSc skin [26.2 (4.8) vs 19.2 (3.4) mmol/l, P < 0.01]. Furthermore, skin Na + amount was correlated with changes in follow-up modified Rodnan skin score (R 2 = 0.68). 23 Na-MRI detected increased Na + in the fibrotic SSc skin; high Na + content was associated with progressive skin disease. Our findings provide the first evidence that 23 Na-MRI might be a promising tool to assess skin Na + and thereby predict progression of skin fibrosis in SSc.

  5. NMR imaging microscopy

    SciTech Connect

    Not Available

    1986-10-01

    In the past several years, proton nuclear magnetic resonance (NMR) imaging has become an established technique in diagnostic medicine and biomedical research. Although much of the work in this field has been directed toward development of whole-body imagers, James Aguayo, Stephen Blackband, and Joseph Schoeninger of the Johns Hopkins University School of Medicine working with Markus Hintermann and Mark Mattingly of Bruker Medical Instruments, recently developed a small-bore NMR microscope with sufficient resolution to image a single African clawed toad cell (Nature 1986, 322, 190-91). This improved resolution should lead to increased use of NMR imaging for chemical, as well as biological or physiological, applications. The future of NMR microscopy, like that of many other newly emerging techniques, is ripe with possibilities. Because of its high cost, however, it is likely to remain primarily a research tool for some time. ''It's like having a camera,'' says Smith. ''You've got a way to look at things at very fine levels, and people are going to find lots of uses for it. But it is a very expensive technique - it costs $100,000 to add imaging capability once you have a high-resolution NMR, which itself is at least a $300,000 instrument. If it can answer even a few questions that can't be answered any other way, though, it may be well worth the cost.''

  6. NMR imaging of materials

    SciTech Connect

    Vinegar, H.J.; Rothwell, W.P.

    1988-03-01

    A method for obtaining at least one petrophysical property of a porous material containing therein at least one preselected fluid, is described, comprising: NMR imaging the material to generate signals dependent upon both M(0) and T/sub 1/ and M(0) and T/sub 2/, generating separate M(0), T/sub 1/ and T/sub 2/ images from the signals, and determining at least one petrophysical property from at least one of the images.

  7. (Na{sub 4}BH{sub 4}){sup 3+} guests inside aluminosilicate, gallosilicate and aluminogermanate sodalite host frameworks studied by {sup 1}H, {sup 11}B, and {sup 23}Na MAS NMR spectroscopy

    SciTech Connect

    Buhl, J.-Ch.; Murshed, M.M.

    2009-07-01

    We report tetrahydroborate aluminosilicate, gallosilicate and aluminogermanate sodalites studied by {sup 11}B, {sup 1}H and {sup 23}Na MAS NMR spectroscopy. The spectral parameters are consistent with the local environments of each investigated nucleus obtained from the crystal structures. The {sup 11}B MAS NMR spectra exhibit a sharp narrow line at about -49.0 ppm, which is assigned to BH{sub 4}{sup -} enclathrated into the sodalite framework matrix. The lineshape of the signal shows no quadrupolar interactions due to discreteness and high symmetry of the BH{sub 4}{sup -} unit as well as possible fast dynamic site exchange of hydrogen atoms. The {sup 23}Na MAS NMR signals also show a narrow Gaussian lineshape, which clearly indicates a single type of sodium coordination, and a centrosymmetrical charge distribution around the sodium atom. The {sup 1}H MAS NMR spectra can clearly distinguish between hydrogen in BH{sub 4}{sup -} anions (-0.6 ppm), H{sub 3}O{sub 2}{sup -} anions (1.2 ppm) and H{sub 2}O molecules (5.0 ppm). The structural properties of BH{sub 4}{sup -} intercalation into sodalite framework matrix help connect the microporous materials to hydride-containing A, X and Y type zeolites.

  8. 23Na Magnetic Resonance Imaging of the Lower Leg of Acute Heart Failure Patients during Diuretic Treatment

    PubMed Central

    Hammon, Matthias; Grossmann, Susan; Linz, Peter; Kopp, Christoph; Dahlmann, Anke; Garlichs, Christoph; Janka, Rolf; Cavallaro, Alexander; Luft, Friedrich C.; Uder, Michael; Titze, Jens

    2015-01-01

    Objective Na+ can be stored in muscle and skin without commensurate water accumulation. The aim of this study was to assess Na+ and H2O in muscle and skin with MRI in acute heart failure patients before and after diuretic treatment and in a healthy cohort. Methods Nine patients (mean age 78 years; range 58–87) and nine age and gender-matched controls were studied. They underwent 23Na/1H-MRI at the calf with a custom-made knee coil. Patients were studied before and after diuretic therapy. 23Na-MRI gray-scale measurements of Na+-phantoms served to quantify Na+-concentrations. A fat-suppressed inversion recovery sequence was used to quantify H2O content. Results Plasma Na+-levels did not change during therapy. Mean Na+-concentrations in muscle and skin decreased after furosemide therapy (before therapy: 30.7±6.4 and 43.5±14.5 mmol/L; after therapy: 24.2±6.1 and 32.2±12.0 mmol/L; p˂0.05 and p˂0.01). Water content measurements did not differ significantly before and after furosemide therapy in muscle (p = 0.17) and only tended to be reduced in skin (p = 0.06). Na+-concentrations in calf muscle and skin of patients before and after diuretic therapy were significantly higher than in healthy subjects (18.3±2.5 and 21.1±2.3 mmol/L). Conclusions 23Na-MRI shows accumulation of Na+ in muscle and skin in patients with acute heart failure. Diuretic treatment can mobilize this Na+-deposition; however, contrary to expectations, water and Na+-mobilization are poorly correlated. PMID:26501774

  9. Correlated sodium and potassium imbalances within the ischemic core in experimental stroke: a 23Na MRI and histochemical imaging study

    PubMed Central

    Yushmanov, Victor E.; Kharlamov, Alexander; Yanovski, Boris; LaVerde, George; Boada, Fernando E.; Jones, Stephen C.

    2013-01-01

    This study addresses the spatial relation between local Na+ and K+ imbalances in the ischemic core in a rat model of focal ischemic stroke. Quantitative [Na+] and [K+] brain maps were obtained by 23Na MRI and histochemical K+ staining, respectively, and calibrated by emission flame photometry of the micropunch brain samples. Stroke location was verified by diffusion MRI, by changes in tissue surface reflectivity and by immunohistochemistry with microtubule-associated protein 2 antibody. Na+ and K+ distribution within the ischemic core was inhomogeneous, with the maximum [Na+] increase and [K+] decrease typically observed in peripheral regions of the ischemic core. The pattern of the [K+] decrease matched the maximum rate of [Na+] increase (‘slope’). Some residual mismatch between the sites of maximum Na+ and K+ imbalances was attributed to the different channels and pathways involved in transport of the two ions. A linear regression of the [Na+]br vs. [K+]br in the samples of ischemic brain indicates that for each K+ equivalent leaving ischemic tissue, 0.8 ± 0.1 Eq, on average, of Na+ enter the tissue. Better understanding of the mechanistic link between the Na+ influx and K+ egress would validate the 23Na MRI slope as a candidate biomarker and a complementary tool for assessing ischemic damage and treatment planning. PMID:23792152

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

    SciTech Connect

    Arevalo-Hidalgo, Ana G.; Dugar, Sneha; Fu, Riqiang; Hernandez-Maldonado, Arturo J.

    2012-07-15

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

  11. Polarization transfer NMR imaging

    DOEpatents

    Sillerud, Laurel O.; van Hulsteyn, David B.

    1990-01-01

    A nuclear magnetic resonance (NMR) image is obtained with spatial information modulated by chemical information. The modulation is obtained through polarization transfer from a first element representing the desired chemical, or functional, information, which is covalently bonded and spin-spin coupled with a second element effective to provide the imaging data. First and second rf pulses are provided at first and second frequencies for exciting the imaging and functional elements, with imaging gradients applied therebetween to spatially separate the nuclei response for imaging. The second rf pulse is applied at a time after the first pulse which is the inverse of the spin coupling constant to select the transfer element nuclei which are spin coupled to the functional element nuclei for imaging. In a particular application, compounds such as glucose, lactate, or lactose, can be labeled with .sup.13 C and metabolic processes involving the compounds can be imaged with the sensitivity of .sup.1 H and the selectivity of .sup.13 C.

  12. Retrospectively-gated CINE (23)Na imaging of the heart at 7.0 Tesla using density-adapted 3D projection reconstruction.

    PubMed

    Resetar, Ana; Hoffmann, Stefan H; Graessl, Andreas; Winter, Lukas; Waiczies, Helmar; Ladd, Mark E; Niendorf, Thoralf; Nagel, Armin M

    2015-11-01

    Implementation, evaluation and application of a pulse sequence for retrospectively-gated sodium magnetic resonance imaging of the human heart. Measurements were conducted at a magnetic field strength of 7.0 Tesla. A 3D projection reconstruction technique using a standard (ST) and a golden angle (GA) acquisition scheme for short echo time (23)Na MR was applied. Data were acquired continuously without cardiac triggering using a free breathing regime. Arbitrary phases of the cardiac cycle were reconstructed using synchronization with a physiological trigger signal and different temporal resolutions. Phantom measurements and examinations of healthy subjects were performed to evaluate the performance of the ST and GA acquisition schemes. A signal-to-background ratio (SBR)--that compromises both the signal-to-noise ratio and artifacts--was calculated for benchmarking the GA and ST scheme. In phantom measurements, the measured SBR of the GA acquisition scheme was up to 88% higher versus ST. Undersampling artifacts were reduced in GA compared to the ST sampling scheme. Whole heart coverage sodium images could be reconstructed with a nominal spatial resolution of (6 mm)(3) and a temporal resolution of Δt=0.1 s for covering the entire cardiac cycle. Changes in overall heart volume and myocardial wall thickness throughout the cardiac cycle were clearly visible in the reconstructed images. For the in vivo data and the imaging protocol used, GA provided a mean SBR of 38.0±5.5 while ST provided a mean SBR of 37.2±2.2. Retrospectively-gated CINE (23)Na imaging of the heart at 7.0 T using density-adapted 3D projection reconstruction is feasible. The GA acquisition scheme is superior to the ST acquisition. Copyright © 2015 Elsevier Inc. All rights reserved.

  13. NMR imaging of the spine

    SciTech Connect

    Han, J.S.; Kaufman, B.; El Yousef, S.J.; Benson, J.E.; Bonstelle, C.T.; Alfidi, R.J.; Haaga, J.R.; Yeung, H.; Huss, R.G.

    1983-12-01

    The usefulness of nuclear magnetic resonance (NMR) images in the evaluation of spinal disorders below the craniocervical junction was studied. Six normal subjects and 41 patients with various spinal abnormalities were examined. NMR proved capable of demonstrating important normal and pathologic anatomic structures; it was useful in the evaluation of syringohydromyelia and cystic spinal cord tumors, and the bright signal intensity of lipoma was quite impressive. In the evaluation of herniated disk, NMR images offered a new perspective by visualizing abnormal degradation of the signal intensity of the nucleus pulposus itself. NMR images were least valuable in the evaluation of spondylosis and spinal stenosis. Although NMR imaging of the spine is still in a very early developmental stage, the absence of both ionizing radiation and risks associated with contrast material makes it especially attractive as a new diagnostic method. This limited experience with currently available equipment suggests that, with technical refinement, the efficacy of NMR of the spine will increase.

  14. NMR Imaging of Elastomeric Materials

    DTIC Science & Technology

    1990-11-30

    on ’everse if necessary and identify by block number) FIELD GROUP SUB-GROUP nuclear magnetic resonance , imaging, elastomers, tires, composites, porous...correspondence should be addressed 1i ABSTRACT Nuclear magnetic resonance images have been obtained for four porous glass disks of different porosities...INDEX HEADINGS: NMR imaging Porous materials Spin relaxation 2. I0J INTRODUCTION Nuclear magnetic resonance (NMR) imaging has seen increasing use in the

  15. X-ray CT and NMR imaging of rocks

    SciTech Connect

    Vinegar, H.J.

    1986-03-01

    In little more than a decade, X-ray computerized tomography (CT) and nuclear magnetic resonance (NMR) imaging have become the premier modalities of medical radiology. Both of these imaging techniques also promise to be useful tools in petrophysics and reservoir engineering, because CT and NMR can nondestructively image a host of physical and chemical properties of porous rocks and multiple fluid phases contained within their pores. The images are taken within seconds to minutes, at reservoir temperatures and pressures, with spatial resolution on the millimeter and submillimeter level. The physical properties imaged by the two techniques are complementary. CT images bulk density and effective atomic number. NMR images the nuclide concentration, M/sub 0/, of a variety of nuclei (/sup 1/H, /sup 19/F, /sup 23/Na, /sup 31/P, etc.), their longitudinal and transverse relaxation-time curves (t/sub 1/ and t/sub 2/), and their chemical shift spectra. In rocks, CT images both rock matrix and pore fluids, while NMR images only mobile fluids and the interactions of these mobile fluids with the confining surfaces of the pores.

  16. Monitoring of neoadjuvant chemotherapy using multiparametric, 23Na sodium MR, and multimodality (PET/CT/MRI) imaging in locally advanced breast cancer

    PubMed Central

    Ouwerkerk, Ronald; Wolff, Antonio C.; Gabrielson, Edward; Warzecha, Hind; Jeter, Stacie; Bluemke, David A.; Wahl, Richard; Stearns, Vered

    2011-01-01

    We prospectively investigated using advanced magnetic resonance imaging (MRI) and positron emission tomography/computed tomography (PET/CT) to identify radiological biomarkers for treatment response in patients receiving preoperative systemic therapy (PST) for locally advanced breast cancer. Patients with a stage II or III breast cancer receiving PST were selected and underwent positron emission tomography (PET), magnetic resonance imaging (MRI), and breast biopsies at baseline and after the first cycle of PST (days 7–8) during the full course of treatment. PET/CT was acquired after injection of 2-deoxy-2-[18F]-fluoro-D-glucose (18FDG, 0.22 mCi/kg) and quantified with standardized uptake value assessment (SUV). Diagnostic breast MRI and sodium (23Na) was acquired at 1.5 T. Total tissue sodium concentration (TSC), response criteria in solid tumors (RECIST), and volumes were quantified. Treatment response was determined by pathological assessment at surgery. Immunohistochemistry values of the proliferative index (Ki-67) were performed on biopsy specimens. Six of nineteen eligible women (43 ± 11 years) who received PST underwent radiological imaging of 18FDG-PET/CT and MRI for at least two cycles of treatment. Five patients had a pathological partial response (pPR) and one had pathological non-response (pNR). TSC decreased 21% in responders with increases in the non-responder (P = 0.03). Greater reduction in SUV was observed in responders (38%) compared to the non-responder (22%; P = 0.03). MRI volumes decreased after cycle 1 by 42% (responders) and 35% (non-responder; P = 0.11). Proliferation index Ki-67 declined in responders in the first cycle (median = 47%, range = 29–20%), but increased (4%) in the non-responder. Significant decreases in TSC, SUV, and Ki-67 were observed in responders with increases in TSC and Ki-67 in non-responders. Our results demonstrate the feasibility of using multi-modality proton, 23Na MRI, and PET/CT metrics as radiological

  17. Petrophysical applications of NMR imaging

    SciTech Connect

    Rothwell, W.P.; Vinegar, H.J.

    1985-12-01

    A system for obtaining high-resolution NMR images of oil field cores is described. Separate proton density and T/sub 2/ relaxation images are obtained to distinguish spatial variations of fluid-filled porosity and the physical nature of the pores. Results are presented for typical sandstones.

  18. NMR imaging techniques and applications: A review

    NASA Astrophysics Data System (ADS)

    Bottomley, Paul A.

    1982-09-01

    Over the past ten years, a variety of techniques have been proposed and demonstrated that enable the spatial discrimination and mapping of nuclear-magnetic-resonance (NMR) signals in heterogeneous objects. These NMR imaging techniques are currently finding useful application in clinical medicine and physiological chemistry, where their noninvasive, apparently hazard-free nature, and the sensitivity of the NMR signal to the state of biological tissue, are key advantages. This article reviews the historical development, the conceptual basis, and the applications of the various NMR imaging techniques. Qualitative descriptions and illustrations of each technique and an outline of imaging instrumentation are provided. Proton NMR imaging, in medicine, of pathological states such as cancer, imaging of relaxation time, chemical shift and flow parameters, imaging of nuclei other than hydrogen, and potential hazards are discussed and demonstrated with examples.

  19. Guest-host interactions in sodium zeolite Y: Structural and dynamical [sup 23]Na double-rotation NMR study of H[sub 2]O, PMe[sub 3], Mo(CO)[sub 6], and Mo(CO)[sub 4](PMe[sub 3])[sub 2] adsorption in Na[sub 56]Y

    SciTech Connect

    Jelinek, R. Univ. of California, Berkeley ); Oezkar, S.; Malek, A.; Ozin, G.A. ); Pastore, H.O. Universidade Estadual de Campinas, Sao Paulo )

    1993-01-27

    [sup 23]Na double-rotation NMR (DOR) provides site-specific structural and dynamical information on guest-host interactions within sodium zeolite Y pores. Quantitative adsorption of H[sub 2]O, PMe[sub 3], and Mo(CO)[sub 6] guests affects both the positions and line shapes of the [sup 23]Na resonances from specific extraframework Na[sup +] sites. The evolution of the [sup 23]Na DOR spectra with the progressive introduction of guest molecules allows one to probe direct solvation' effects involving the Na[sup +] cations in the larger supercages, as well as indirect effects on the Na[sup +] cations in adjacent smaller sodalite cavities. [sup 23]Na DOR experiments conducted at two magnetic field strengths confirm that PMe[sub 3] coadsorption in 8[l brace]Mo(CO)[sub 6][r brace],16[l brace]PMe[sub 3][r brace]-Na[sub 56]Y, and PMe[sub 3] ligand-substitution in 8[l brace]cis-Mo(CO)[sub 4](PMe[sub 3])[sub 2][r brace]-Na[sub 56]Y give rise to progressive deshielding and enhanced quadrupolar interactions of the anchoring Na[sup +] cations in the [alpha]-cages, relative to those of the starting material, 8[l brace]Mo(CO)[sub 6][r brace]-Na[sub 56]Y. Spin-lattice relaxation measurements indicate that adsorption of PMe[sub 3] facilitates an increased motion of the Na[sup +] cations and/or guest species inside the [alpha]-cages. 22 refs., 6 figs., 1 tab.

  20. Nanoscale phase quantification in lead-free (Bi1 /2Na1 /2) TiO3-BaTiO3 relaxor ferroelectrics by means of 23Na NMR

    NASA Astrophysics Data System (ADS)

    Groszewicz, Pedro B.; Breitzke, Hergen; Dittmer, Robert; Sapper, Eva; Jo, Wook; Buntkowsky, Gerd; Rödel, Jürgen

    2014-12-01

    We address the unsolved question on the structure of relaxor ferroelectrics at the atomic level by characterizing lead-free piezoceramic solid solutions (100 -x ) (Bi1 /2Na1 /2) TiO3-x BaTiO3 (BNT -x BT ) (for x =1 ,4 ,6 , and 15). Based on the relative intensity between spectral components in quadrupolar perturbed 23Na nuclear magnetic resonance, we present direct evidence of the coexistence of cubic and polar local symmetries in these relaxor ferroelectrics. In addition, we demonstrate how the cubic phase vanishes whenever a ferroelectric state is induced, either by field cooling or changing the dopant amount, supporting the relation between this cubic phase and the relaxor state.

  1. Medical applications of NMR imaging and NMR spectroscopy with stable isotopes. Summary

    SciTech Connect

    Matwiyoff, N.A.

    1983-01-01

    The current status of NMR imaging and NMR spectroscopy are summarized. For the most part examples from the March 1983 Puerto Rico symposium are used to illustrate the utility of NMR in medicine. 18 refs., 5 figs.

  2. 7-T (35)Cl and (23)Na MR Imaging for Detection of Mutation-dependent Alterations in Muscular Edema and Fat Fraction with Sodium and Chloride Concentrations in Muscular Periodic Paralyses.

    PubMed

    Weber, Marc-André; Nagel, Armin M; Marschar, Anja M; Glemser, Philip; Jurkat-Rott, Karin; Wolf, Maya B; Ladd, Mark E; Schlemmer, Heinz-Peter; Kauczor, Hans-Ulrich; Lehmann-Horn, Frank

    2016-09-01

    Purpose To determine whether altered sodium (Na(+)) and chloride (Cl(-)) homeostasis can be visualized in periodic paralyses by using 7-T sodium 23 ((23)Na) and chlorine 35 ((35)Cl) magnetic resonance (MR) imaging. Materials and Methods Institutional review board approval and informed consent of all participants were obtained. (23)Na (repetition time msec/echo time msec, 160/0.35) and (35)Cl (40/0.6) MR imaging of both lower legs was performed with a 7-T whole-body system in patients with genetically confirmed hypokalemic periodic paralysis (Cav1.1-R1239H mutation, n = 5; Cav1.1-R528H mutation, n = 8) and Andersen-Tawil syndrome (n = 3) and in 16 healthy volunteers. Additionally, each participant underwent 3-T proton MR imaging on the same day by using T1-weighted, short-tau inversion-recovery, and Dixon-type sequences. Muscle edema was assessed on short-tau inversion-recovery images, fatty degeneration was assessed on T1-weighted images, and muscular fat fraction was quantified with Dixon-type imaging. Na(+) and Cl(-) were quantified in the soleus muscle by using three phantoms that contained 10-, 20-, and 30-mmol/L NaCl solution and 5% agarose gel as a reference. Parametric data for all subpopulations were tested by using one-way analysis of variance with the Dunnett test, and correlations were assessed with the Spearman rank correlation coefficient. Results Median muscular (23)Na concentration was higher in patients with Cav1.1-R1239H (34.7 mmol/L, P < .001), Cav1.1-R528H (32.0 mmol/L, P < .001), and Kir2.1 (24.3 mmol/L, P = .035) mutations than in healthy volunteers (19.9 mmol/L). Median muscular normalized (35)Cl signal intensity was higher in patients with Cav1.1-R1239H (27.6, P < .001) and Cav1.1-R528H (23.6, P < .001) than in healthy volunteers (12.6), but not in patients with the Kir2.1 mutation (14.3, P = .517). When compared with volunteers, patients with Cav1.1-R1239H and Cav1.1-R528H showed increased muscular edema (P < .001 and P = .003, respectively

  3. Sodium-23 magnetic resonance imaging during and after transient cerebral ischemia: multinuclear stroke protocols for double-tuned (23)Na/(1)H resonator systems.

    PubMed

    Wetterling, Friedrich; Ansar, Saema; Handwerker, Eva

    2012-11-07

    A double-tuned ²³Na/¹H resonator system was developed to record multinuclear MR image data during and after transient cerebral ischemia. ¹H-diffusion-, (¹H perfusion, ¹H T₂-, ¹H arterial blood flow- and ²³Na spin density-weighted images were then acquired at three time points in a rodent stroke model: (I) during 90 min artery occlusion, (II) directly after arterial reperfusion and (III) one day after arterial reperfusion. Normal ²³Na was detected in hypoperfused stroke tissue which exhibited a low ¹H apparent diffusion coefficient (ADC) and no changes in ¹H T₂ relaxation time during transient ischemia, while ²³Na increased and ADC values recovered to normal values directly after arterial reperfusion. For the first time, a similar imaging protocol was set-up on a clinical 3T MRI site in conjunction with a commercial double-tuned ¹H/²³Na birdcage resonator avoiding a time-consuming exchange of resonators or MRI systems. Multinuclear ²³Na/¹H MRI data sets were obtained from one stroke patient during both the acute and non-acute stroke phases with an aquisition time of 22 min. The lesion exhibiting low ADC was found to be larger compared to the lesion with high ²³Na at 9 h after symptom onset. It is hoped that the presented pilot data demonstrate that fast multinuclear ²³Na/¹H MRI preclinical and clinical protocols can enable a better understanding of how temporal and regional MRI parameter changes link to pathophysiological variations in ischemic stroke tissue.

  4. Evaluation of native hyaline cartilage and repair tissue after two cartilage repair surgery techniques with 23Na MR imaging at 7 T: initial experience.

    PubMed

    Zbýň, S; Stelzeneder, D; Welsch, G H; Negrin, L L; Juras, V; Mayerhoefer, M E; Szomolanyi, P; Bogner, W; Domayer, S E; Weber, M; Trattnig, S

    2012-08-01

    To compare the sodium normalized mean signal intensity (NMSI) values between patients after bone marrow stimulation (BMS) and matrix-associated autologous chondrocyte transplantation (MACT) cartilage repair procedures. Nine BMS and nine MACT patients were included. Each BMS patient was matched with one MACT patient according to age [BMS 36.7 ± 10.7 (mean ± standard deviation) years; MACT 36.9 ± 10.0 years], postoperative interval (BMS 33.5 ± 25.3 months; MACT 33.2 ± 25.7 months), and defect location. All magnetic resonance imaging (MRI) measurements were performed on a 7 T system. Proton images served for morphological evaluation of repair tissue using the magnetic resonance observation of cartilage repair tissue (MOCART) scoring system. Sodium NMSI values in the repair area and morphologically normal cartilage were calculated. Clinical outcome was assessed right after MRI. Analysis of covariance, t-tests, and Pearson correlation coefficients were evaluated. Sodium NMSI was significantly lower in BMS (P = 0.004) and MACT (P = 0.006) repair tissue, compared to reference cartilage. Sodium NMSI was not different between the reference cartilage in MACT and BMS patients (P = 0.664), however it was significantly higher in MACT than in BMS repair tissue (P = 0.028). Better clinical outcome was observed in BMS than in MACT patients. There was no difference between MOCART scores for MACT and BMS patients (P = 0.915). We did not observe any significant correlation between MOCART score and sodium repair tissue NMSI (r = -0.001; P = 0.996). Our results suggest higher glycosaminoglycan (GAG) content, and therefore, repair tissue of better quality in MACT than in BMS patients. Sodium imaging might be beneficial in non-invasive evaluation of cartilage repair surgery efficacy. Copyright © 2012 Osteoarthritis Research Society International. Published by Elsevier Ltd. All rights reserved.

  5. Solid-state NMR imaging system

    DOEpatents

    Gopalsami, Nachappa; Dieckman, Stephen L.; Ellingson, William A.

    1992-01-01

    An apparatus for use with a solid-state NMR spectrometer includes a special imaging probe with linear, high-field strength gradient fields and high-power broadband RF coils using a back projection method for data acquisition and image reconstruction, and a real-time pulse programmer adaptable for use by a conventional computer for complex high speed pulse sequences.

  6. BOOK REVIEW: NMR Imaging of Materials

    NASA Astrophysics Data System (ADS)

    Blümich, Bernhard

    2003-09-01

    Magnetic resonance imaging (MRI) of materials is a field of increasing importance. Applications extend from fundamental science like the characterization of fluid transport in porous rock, catalyst pellets and hemodialysers into various fields of engineering for process optimization and product quality control. While the results of MRI imaging are being appreciated by a growing community, the methods of imaging are far more diverse for materials applications than for medical imaging of human beings. Blümich has delivered the first book in this field. It was published in hardback three years ago and is now offered as a paperback for nearly half the price. The text provides an introduction to MRI imaging of materials covering solid-state NMR spectroscopy, imaging methods for liquid and solid samples, and unusual MRI in terms of specialized approaches to spatial resolution such as an MRI surface scanner. The book represents an excellent and thorough treatment which will help to grow research in materials MRI. Blümich developed the treatise over many years for his research students, graduates in chemistry, physics and engineering. But it may also be useful for medical students looking for a less formal discussion of solid-state NMR spectroscopy. The structure of this book is easy to perceive. The first three chapters cover an introduction, the fundamentals and methods of solid-state NMR spectroscopy. The book starts at the ground level where no previous knowledge about NMR is assumed. Chapter 4 discusses a wide variety of transformations beyond the Fourier transformation. In particular, the Hadamard transformation and the 'wavelet' transformation are missing from most related books. This chapter also includes a description of noise-correlation spectroscopy, which promises the imaging of large objects without the need for extremely powerful radio-frequency transmitters. Chapters 5 and 6 cover basic imaging methods. The following chapter about the use of relaxation and

  7. 3T renal (23)Na-MRI: effects of desmopressin in patients with central diabetes insipidus.

    PubMed

    Haneder, Stefan; Michaely, Henrik J; Konstandin, Simon; Schad, Lothar R; Morelli, John N; Krämer, Bernhard K; Schoenberg, Stefan O; Lammert, Alexander

    2014-02-01

    The purpose of this prospective study was to assess physiologic changes in the renal corticomedullary (23)Na-concentration ([(23)Na]) gradient with (23)Na-MRI at 3.0T in patients with central diabetes insipidus (CDI) before and after intranasal administration of 20 μg desmopressin (DDAVP). Four patients with CDI (all male, mean age 60.2 years) were included in this IRB-approved study. For (23)Na-imaging, a 3D density adapted, radial GRE-sequence (TE = 0.55 ms; TR = 120 ms; projections = 8,000; spatial resolution = 5 × 5 × 5 mm(3)) was used in combination with a dedicated (23)Na-coil and reference phantoms. The corticomedullary [(23)Na] gradient (in mmol/L/mm) was calculated pixel-by-pixel along a linear region-of-interest (ROI) spanning from the renal cortex in the direction of the medulla. Mean ± SDs of [(23)Na] were calculated for each patient as well as for the entire group. Mean [(23)Na] increased along the corticomedullary gradient from the cortex (pre-DDAVP 38.0 ± 6.3 mmol/L vs. post-DDAVP 30.7 ± 3.5 mmol/L) to the medulla (pre-DDAVP 71.6 ± 14.8 mmol/L vs. post-DDAVP 59.7 ± 10.8 mmol/L). The overall mean decrease of [(23)Na] after DDAVP administration was 17.1 ± 1.1 %. (23)Na-MRI with state-of-the-art techniques at 3T depicts the physiologic renal response to the administration of desmopressin in patients with central diabetes insipidus.

  8. High-performance radiofrequency coils for (23)Na MRI: brain and musculoskeletal applications.

    PubMed

    Wiggins, Graham C; Brown, Ryan; Lakshmanan, Karthik

    2016-02-01

    (23)Na RF coil design for brain and MSK applications presents a number of challenges, including poor coil loading for arrays of small coils and SNR penalties associated with providing (1)H capability with the same coil. The basics of RF coil design are described, as well as a review of historical approaches to dual tuning. There follows a review of published high performance coil designs for MSK and brain imaging. Several coil designs have been demonstrated at 7T and 3T which incorporate close-fitting receive arrays and in some cases design features which provide (1)H imaging with little penalty to (23)Na sensitivity. The "nested coplanar loop" approach is examined, in which small transmit-receive (1)H elements are placed within each (23)Na loop, presenting only a small perturbation to (23)Na performance and minimizing RF shielding issues. Other designs incorporating transmit-receive arrays for (23)Na and (1)H are discussed including a 9.4 T (23)Na/(1)H brain coil. Great gains in (23)Na SNR have been made with many of these designs, but simultaneously achieving high performance for 1H remains elusive.

  9. In vivo NMR imaging of deuterium

    NASA Astrophysics Data System (ADS)

    Müller, S.; Seelig, J.

    D 2O is used as a contrast agent for studying anatomical images and flow in vivo by deuterium NMR. A deuterium image of the head of a living rat after administration of D 2O (5% v/v) in the drinking water is shown. It was obtained in 14 min with a surface coil and has a spatial resolution of about one millimeter. The application of D 2O as a tracer is discussed and the inflow of heavy water into the brain of a rat is recorded in a time series of deuterium images. Spatially resolved inflow time constants have been determined.

  10. Mobile NMR: Measuring Pixels, Images, and Spectra

    NASA Astrophysics Data System (ADS)

    Bluemich, Bernhard

    2007-03-01

    The vision of bringing nuclear magnetic resonance out of the lab to the doctor's office, the chemical reactor, or the manufacturing site is becoming reality with the development of mobile NMR. Pioneered for well logging in the oil industry, the concept has been explored for materials testing in a more systematic way since the introduction of the NMR-MOUSE. This is a small, one-sided access NMR sensor which acquires the information of one pixel from a particular spot of a large object. As the sensor explores the stray-fields of a permanent magnet and an rf coil, the magnetic fields are inhomogeneous and the sensitive volume is limited to the region, where both fields are orthogonal and the Larmor frequency lies within the excitation bandwidth. By shaping the magnet and the coil geometries, the shape of the sensitive volume can be tailored to a thin slice or a larger volume a certain distance away from the sensor surface. In the first case, there is a strong field gradient in the depth direction, and in the second case, a homogeneous sweet spot of the field profile is desired. The first case is suitable for measuring high-resolution depth profiles, while the second case is suitable for chemical shift resolved spectroscopy and volume imaging. The basic concepts of open and closed mobile NMR sensors will be discussed along with applications from testing polymer products, cultural heritage, medical tissue, and rock cores.

  11. (39) K and (23) Na relaxation times and MRI of rat head at 21.1 T.

    PubMed

    Nagel, Armin M; Umathum, Reiner; Rösler, Manuela B; Ladd, Mark E; Litvak, Ilya; Gor'kov, Peter L; Brey, William W; Schepkin, Victor D

    2016-06-01

    At ultrahigh magnetic field strengths (B0  ≥ 7.0 T), potassium ((39) K) MRI might evolve into an interesting tool for biomedical research. However, (39) K MRI is still challenging because of the low NMR sensitivity and short relaxation times. In this work, we demonstrated the feasibility of (39) K MRI at 21.1 T, determined in vivo relaxation times of the rat head at 21.1 T, and compared (39) K and sodium ((23) Na) relaxation times of model solutions containing different agarose gel concentrations at 7.0 and 21.1 T. (39) K relaxation times were markedly shorter than those of (23) Na. Compared with the lower field strength, (39) K relaxation times were up to 1.9- (T1 ), 1.4- (T2S ) and 1.9-fold (T2L ) longer at 21.1 T. The increase in the (23) Na relaxation times was less pronounced (up to 1.2-fold). Mono-exponential fits of the (39) K longitudinal relaxation time at 21.1 T revealed T1  = 14.2 ± 0.1 ms for the healthy rat head. The (39) K transverse relaxation times were 1.8 ± 0.2 ms and 14.3 ± 0.3 ms for the short (T2S ) and long (T2L ) components, respectively. (23) Na relaxation times were markedly longer (T1  = 41.6 ± 0.4 ms; T2S  = 4.9 ± 0.2 ms; T2L  = 33.2 ± 0.2 ms). (39) K MRI of the healthy rat head could be performed with a nominal spatial resolution of 1 × 1 × 1 mm(3) within an acquisition time of 75 min. The increase in the relaxation times with magnetic field strength is beneficial for (23) Na and (39) K MRI at ultrahigh magnetic field strength. Our results demonstrate that (39) K MRI at 21.1 T enables acceptable image quality for preclinical research. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  12. Continuous-wave NMR imaging of solids.

    PubMed

    Lurie, D J; McCallum, S J; Hutchison, J M; Alecci, M

    1996-03-01

    Current pulsed nuclear magnetic resonance methods of imaging samples such as solids with short spin-spin relaxation times are restricted to use with T2 values longer than approximately 10 microseconds. In the present study a method of imaging ultra-short T2 samples using continuous- wave, swept-field NMR is presented that, in principle, will be able to overcome this restriction. The technique is identical to that used in continuous-wave electron paramagnetic resonance imaging of paramagnetic species and involves irradiating the sample continuously with a radiofrequency excitation in the presence of a strong stationary magnetic field gradient. When the main magnetic field is swept over a suitable range, the variation of the NMR absorption signal with applied magnetic field yields a one-dimensional projection of the object under study along the gradient direction. Two- or three-dimensional image data sets may be reconstructed from projections that are obtained by applying the gradient in different directions. Signal-to-noise ratio can be improved by modulating the magnetic field and employing a lock-in amplifier to recover signal variations at the audio modulation frequency. Preliminary experiments were performed using a 7 Tesla magnet and a 300 MHz continuous-wave radiofrequency bridge with lock-in detection. The apparatus is described and the results of pilot experiments that employed vulcanized rubber samples are presented. The ability of the technique to detect short T2 samples was demonstrated by the presence of a background signal from the Perspex former of the birdcage resonator used for signal reception.

  13. Temperature imaging by 1H NMR and suppression of convection in NMR probes

    PubMed

    Hedin; Furo

    1998-03-01

    A simple arrangement for suppressing convection in NMR probes is tested experimentally. Diffusion experiments are used to determine the onset of convection and 1H temperature imaging helps to rationalize the somewhat surprising results. A convenient new 1H NMR thermometer, CH2Br2 dissolved in a nematic thermotropic liquid crystal, is presented. Copyright 1998 Academic Press.

  14. Ex vivo assessment of mouse cervical remodeling through pregnancy via 23Na MRS.

    PubMed

    Xu, Xiang; Akgul, Yucel; Mahendroo, Mala; Jerschow, Alexej

    2010-10-01

    Preterm birth occurs in 12.5% of births in the United States and can lead to risk of infant death or to lifelong serious health complications. A greater understanding by which the two main processes, uterine contraction and cervical remodeling are regulated is required to reduce rates of preterm birth. The cervix must undergo extensive remodeling through pregnancy in preparation for parturition, the process of labor and delivery of young. One key aspect of this dynamic process is a change in the composition and abundance of glycosaminoglycans (GAGs) and proteoglycans within the extracellular matrix, which influences the loss of tensile strength or stiffness of the cervix during labor. 23Na NMR spectroscopy has previously been validated as a method to quantify GAGs in tissues. In the current study, the Na+ concentration was measured at several time points through pregnancy in mouse cervices using 23Na NMR spectroscopy. The Na+ concentration increased progressively during pregnancy and peaked one day before birth followed by a rapid decline after birth. The same trend was seen in GAGs as measured by a biochemical assay using independent cervix samples over the course of pregnancy. We suggest that monitoring the Na+ concentration via 23Na NMR spectroscopy can serve as an informative physiological marker in evaluating the stages of cervical remodeling ex vivo and warrants further investigation to determine its utility as a diagnostic tool for the identification of women at risk for impending preterm birth. Copyright © 2010 John Wiley & Sons, Ltd.

  15. Triple-Quantum Filtered NMR Imaging of Sodium -23 in the Human Brain

    NASA Astrophysics Data System (ADS)

    Keltner, John Robinson

    In the past multiple-quantum filtered imaging of biexponential relaxation sodium-23 nuclei in the human brain has been limited by low signal to noise ratios; this thesis demonstrates that such imaging is feasible when using a modified gradient-selected triple-quantum filter at a repetition time which maximizes the signal to noise ratio. Nuclear magnetic resonance imaging of biexponential relaxation sodium-23 (^{23}Na) nuclei in the human brain may be useful for detecting ischemia, cancer, and pathophysiology related to manic-depression. Multiple -quantum filters may be used to selectively image biexponential relaxation ^{23}Na signals since these filters suppress single-exponential relaxation ^{23}Na signals. In this thesis, the typical repetition times (200 -300 ms) used for in vivo multiple-quantum filtered ^{23}Na experiments are shown to be approximately 5 times greater than the optimal repetition time which maximizes multiple-quantum filtered SNR. Calculations and experimental verification show that the gradient-selected triple-quantum (GS3Q) filtered SNR for ^ {23}Na in a 4% agarose gel increases by a factor of two as the repetition time decreases from 300 ms to 55 ms. It is observed that a simple reduction of repetition time also increases spurious single-quantum signals from GS3Q filtered experiments. Irreducible superoperator calculations have been used to design a modified GS3Q filter which more effectively suppresses the spurious single-quantum signals. The modified GS3Q filter includes a preparatory crusher gradient and two-step-phase cycling. Using the modified GS3Q filter and a repetition time of 70 ms, a three dimensional triple-quantum filtered image of a phantom modelling ^{23} Na in the brain was obtained. The phantom consisted of two 4 cm diameter spheres inside of a 8.5 cm x 7 cm ellipsoid. The two spheres contained 0.012 and 0.024 M ^{23}Na in 4% agarose gel. Surrounding the spheres and inside the ellipsoid was 0.03 M aqueous ^{23}Na. The image

  16. NMR techniques in the study of cardiovascular structure and functions

    SciTech Connect

    Osbakken, M.; Haselgrove, J.

    1987-01-01

    The chapter titles of this book are: Introduction to NMR Techniques;Theory of NMR Probe Design;Overview of Magnetic Resonance Imaging to Study the Cardiovascular System;Vascular Anatomy and Physiology Studied with NMR Techniques;Assessment of Myocardial Ischemia and Infarction by Nuclear Magnetic Resonance Imaging;The Use of MRI in Congenital Heart Disease;Cardiomyopathies and Myocarditis Studied with NMR Techniques;Determination of Myocardial Mechanical Function with Magnetic Resonance Imaging Techniques;Determination of Flow Using NMR Techniques;The Use of Contrast Agents in Cardiac MRI;Can Cardiovascular Disease Be Effectively Evaluated with NMR Spectroscopy. NMR Studies of ATP Synthesis Reactions in the Isolated Heart;Studies of Intermediary Metabolism in the Heart by 13C NMR Spectroscopy;23Na and 39K NMR Spectroscopic Studies of the Intact Beating Heart;and Evaluation of Skeletal Muscle Metabolism in Patients with Congestive Heart Failure Using Phosphorus Nuclear Magnetic Resonance.

  17. NMR imaging of components and materials for DOE application

    SciTech Connect

    Richardson, B.R.

    1993-12-01

    The suitability for using NMR imaging to characterize liquid, polymeric, and solid materials was reviewed. The most attractive applications for NMR imaging appear to be liquid-filled porous samples, partially cured polymers, adhesives, and potting compounds, and composite polymers/high explosives containing components with widely varying thermal properties. Solid-state NMR line-narrowing and signal-enhancing markedly improve the imaging possibilities of true solid and materials. These techniques provide unique elemental and chemical shift information for highly complex materials and complement images with similar spatial resolution, such as X-ray computed tomography (CT).

  18. (23)Na MRI reveals persistent sodium accumulation in tumefactive MS lesions.

    PubMed

    Huhn, Konstantin; Mennecke, Angelika; Linz, Peter; Tschunko, Franz; Kästle, Nicola; Nagel, Armin M; Uder, Michael; Dörfler, Arnd; Linker, Ralf A; Engelhorn, Tobias

    2017-08-15

    Chronic inflammatory demyelinating diseases of the CNS typically show a limited lesion size. However, extended lesions may appear with an atypical configuration. Large lesions with a diameter>2cm accompanied by tumor-like edema are entitled "tumefactive" and may occur in multiple sclerosis (MS) and other demyelinating diseases. Historically, differential diagnosis often requires histological analysis. Therefore, advanced imaging techniques are warranted to allow for a precise non-invasive diagnosis. Cerebral sodium ((23)Na) MRI was recently described as a new method to investigate in vivo sodium accumulation. Indicating extended sodium levels in MS lesions, (23)Na MRI is a promising differential diagnostic tool further elucidating the role of sodium in demyelinating lesions. Repetitive (23)Na MRI measurements in a MS patient with a tumefactive demyelinating lesion providing insight into the medium-term course of cerebral sodium levels. (23)Na MRI depicts persistent lesional sodium accumulation after anti-inflammatory treatment and provides the opportunity of a non-invasive, in vivo analysis of sodium levels in inflammatory CNS lesions without need for contrast enhancing media. As a result of the extended dimension, tumefactive lesions may have an appropriate size for the analysis of inflammatory demyelination by (23)Na MRI with sufficient resolution. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. A Demonstration of Imaging on an NMR Spectrometer.

    ERIC Educational Resources Information Center

    Hull, L. A.

    1990-01-01

    Described is a simple demonstration that relates the techniques of magnetic resonance imaging (MRI) used in medicine and nuclear magnetic resonance (NMR) spectroscopy. Included are materials, procedures, and probable results. (KR)

  20. A Demonstration of Imaging on an NMR Spectrometer.

    ERIC Educational Resources Information Center

    Hull, L. A.

    1990-01-01

    Described is a simple demonstration that relates the techniques of magnetic resonance imaging (MRI) used in medicine and nuclear magnetic resonance (NMR) spectroscopy. Included are materials, procedures, and probable results. (KR)

  1. Method of three-dimensional NMR imaging using selective excitation

    SciTech Connect

    Edelstein, W.A.; Bottomley, P.A.

    1984-02-14

    Selective excitation is used to define a thick planar slab of excited nuclear spins in a nuclear magnetic resonance (NMR) imaging sample. The thick slab is selected such that the excited spins are contained well within the optimum sensitive region defined by the radio frequency (RF) transmitter and receiver coils. Three-dimensional spatial information of an NMR imaging parameter, such as nuclear spin density or nuclear spin relaxation time, is collected simultaneously from the excited slab and can be used to construct a series of several tomographic section images of the slab. The spatial information is encoded in the NMR signal by application of pulsed gradient magnetic fields subsequent to excitation. Image picture information is obtained from the NMR signals via three-dimensional Fourier transformation.

  2. NMR imaging and cryoporometry of swelling clays

    NASA Astrophysics Data System (ADS)

    Dvinskikh, Sergey V.; Szutkowski, Kosma; Petrov, Oleg V.; Furó, István.

    2010-05-01

    Compacted bentonite clay is currently attracting attention as a promising "self-sealing" buffer material to build in-ground barriers for the encapsulation of radioactive waste. It is expected to fill up the space between waste canister and surrounding ground by swelling and thus delay flow and migration from the host rock to the canister. In environmental sciences, evaluation and understanding of the swelling properties of pre-compacted clay are of uttermost importance for designing such buffers. Major goal of present study was to provide, in a non-invasive manner, a quantitative measure of bentonite distribution in extended samples during different physical processes in an aqueous environment such as swelling, dissolution, and sedimentation on the time scale from minutes to years. The propagation of the swelling front during clay expansion depending on the geometry of the confining space was also studied. Magnetic resonance imaging and nuclear magnetic resonance spectroscopy were adapted and used as main experimental techniques. With this approach, spatially resolved movement of the clay/water interface as well as clay particle distributions in gel phase can be monitored [1]. Bulk samples with swelling in a vertical tube and in a horizontal channel were investigated and clay content distribution profiles in the concentration range over five orders of magnitude and with sub-millimetre spatial resolution were obtained. Expansion rates for bulk swelling and swelling in narrow slits were compared. For sodium-exchanged montmorillonite in contact with de-ionised water, we observed a remarkable acceleration of expansion as compared to that obtained in the bulk. To characterize the porosity of the clay a cryoporometric study [2] has been performed. Our results have important implications to waste repository designs and for the assessment of its long-term performance. Further research exploring clay-water interaction over a wide variety of clay composition and water ionic

  3. Nanoscale NMR spectroscopy and imaging of multiple nuclear species

    NASA Astrophysics Data System (ADS)

    Devience, Stephen J.; Pham, Linh M.; Lovchinsky, Igor; Sushkov, Alexander O.; Bar-Gill, Nir; Belthangady, Chinmay; Casola, Francesco; Corbett, Madeleine; Zhang, Huiliang; Lukin, Mikhail; Park, Hongkun; Yacoby, Amir; Walsworth, Ronald L.

    2015-02-01

    Nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) provide non-invasive information about multiple nuclear species in bulk matter, with wide-ranging applications from basic physics and chemistry to biomedical imaging. However, the spatial resolution of conventional NMR and MRI is limited to several micrometres even at large magnetic fields (>1 T), which is inadequate for many frontier scientific applications such as single-molecule NMR spectroscopy and in vivo MRI of individual biological cells. A promising approach for nanoscale NMR and MRI exploits optical measurements of nitrogen-vacancy (NV) colour centres in diamond, which provide a combination of magnetic field sensitivity and nanoscale spatial resolution unmatched by any existing technology, while operating under ambient conditions in a robust, solid-state system. Recently, single, shallow NV centres were used to demonstrate NMR of nanoscale ensembles of proton spins, consisting of a statistical polarization equivalent to ˜100-1,000 spins in uniform samples covering the surface of a bulk diamond chip. Here, we realize nanoscale NMR spectroscopy and MRI of multiple nuclear species (1H, 19F, 31P) in non-uniform (spatially structured) samples under ambient conditions and at moderate magnetic fields (˜20 mT) using two complementary sensor modalities.

  4. Measurement of a wide range of intracellular sodium concentrations in erythrocytes by 23Na nuclear magnetic resonance.

    PubMed Central

    Boulanger, Y; Vinay, P; Desroches, M

    1985-01-01

    The accuracy of the 23Na nuclear magnetic resonance (NMR) method for measuring the sodium concentration in erythrocytes was tested by comparing the NMR results to those obtained by emission-flame photometry. Comparisons were made on aqueous solutions, hemolysates, gels, ghosts, and intact erythrocytes. The intra- and extracellular 23Na NMR signals were distinguished by addition of the dysprosium tripolyphosphate [Dy(PPP)7-2] shift reagent to the extracellular fluid. The intra- and extracellular volumes of ghosts and cells were determined by the isotope dilution method. Our results indicate that greater than 20% of the intracellular signal remains undetected by NMR in ghosts and cells. When the cells are hemolyzed, the amount of NMR-detectable sodium varies depending on the importance of gel formation. In hemolysates prepared by water addition, the NMR and flame photometry results are identical. The loss of signal in ghosts, cells, and undiluted hemolysates is attributed to partial binding of the Na+ ion to intracellular components, this binding being operative only when these components exist in a gel state. In a second part, 31P NMR was used to monitor the penetration of the shift reagent into the cells during incubation. Our data demonstrate that free Dy3+ can slowly accumulate inside the red cell. PMID:3986283

  5. Faster imaging with a portable unilateral NMR device.

    PubMed

    Liberman, Asaf; Bergman, Elad; Sarda, Yifat; Nevo, Uri

    2013-06-01

    Unilateral NMR devices are important tools in various applications such as non-destructive testing and well logging, but are not applied routinely for imaging, primarily because B0 inhomogeneity in these scanners leads to a relatively low signal and requires use of the slow single point imaging scan scheme. Enabling high quality, fast imaging could make this affordable and portable technology practical for various imaging applications as well as for new applications that are not yet feasible with MRI technology. The goal of this work was to improve imaging times in a portable unilateral NMR scanner. Both Compressed Sensing and Fast Spin Echo were modified and applied to fit the unique characteristics of a unilateral device. Two printed phantoms, allowing high resolution images, were scanned with both methods and compared to a standard scan and to a low pass scan to evaluate performance. Both methods were found to be feasible with a unilateral device, proving ways to accelerate single point imaging in such scanners. This outcome encourages us to explore how to further accelerate imaging times in unilateral NMR devices so that this technology might become clinically applicable in the future.

  6. NMR imaging of thermal convection patterns.

    PubMed

    Weis, J; Kimmich, R; Müller, H P

    1996-01-01

    Two special magnetic resonance imaging techniques were applied to the Rayleigh/Bénard problem of thermal convection for the first time. The methods were tested using a water cell with horizontal bottom and top covers kept at different temperatures with a downward gradient. Using Fourier encoding velocity imaging (FEVI) a five-dimensional image data set was recorded referring to two space dimensions of slice-selective images and all three components of the local velocity vector. On this basis, the fields of the velocity components or of the velocity magnitude were evaluated quantitatively and rendered as gray shade images. Furthermore the convection rolls were visualized with the aid of two- or three-dimensional multistripe/multiplane tagging imaging pulse sequences based on two or three DANTE combs for the space directions to be probed. Movies illustrating the fluid motions by convection in all three space dimensions were produced. It is demonstrated that the full spatial information of the convection rolls is accessible with microscopic resolution of typically 100 x 100 x 100 microns3. This resolution is effectively limited by flow displacements in the echo time, which should be well within the voxel dimension. The main perspective of this work is that the combined application of FEVI and multistripe/multiplane tagging imaging permits quantitative examinations of thermal convection for arbitrary boundary conditions and with imposed through-flow apart from the direct visualization of convective flow in the form of movies.

  7. NMR clinical imaging and spectroscopy: Its impact on nuclear medicine

    SciTech Connect

    Not Available

    1990-02-02

    This is a collection of four papers describing aspects of past and future use of nuclear magnetic resonance as a clinical diagnostic tool. The four papers are entitled (1) What Does NMR Offer that Nuclear Medicine Does Not by Jerry W. Froelich, (2) Oncological Imaging: Now, Future and Impact Jerry W. Froelich, (3) Magnetic Resonance Spectroscopy/Spectroscopic Imaging and Nuclear Medicine: Past, Present and Future by H. Cecil Charles, and (4) MR Cardiology: Now, Future and Impact by Robert J. Herfkens.

  8. NMR clinical imaging and spectroscopy: Its impact on nuclear medicine

    SciTech Connect

    Not Available

    1990-02-02

    This is a collection of four papers describing aspects of past and future use of nuclear magnetic resonance as a clinical diagnostic tool. The four papers are entitled (1) What Does NMR Offer that Nuclear Medicine Does Not? by Jerry W. Froelich, (2) Oncological Imaging: Now, Future and Impact Jerry W. Froelich, (3) Magnetic Resonance Spectroscopy/Spectroscopic Imaging and Nuclear Medicine: Past, Present and Future by H. Cecil Charles, and (4) MR Cardiology: Now, Future and Impact by Robert J. Herfkens.

  9. Sodium Mapping in Focal Cerebral Ischemia in the Rat by Quantitative 23Na MRI

    PubMed Central

    Yushmanov, Victor E.; Yanovski, Boris; Kharlamov, Alexander; LaVerde, George; Boada, Fernando E.; Jones, Stephen C.

    2009-01-01

    Purpose To validate 23Na twisted projection magnetic resonance imaging (MRI) as a quantitative technique to assess local brain sodium concentration ([Na+]br) during rat focal ischemia every 5.3 minutes. Materials and Methods The MRI protocol included an ultrashort echo-time (0.4 msec), a correction of radiofrequency (RF) inhomogeneities by B1 mapping, and the use of 0–154 mM NaCl calibration standards. To compare MRI [Na+]br values with those obtained by emission flame photometry in precision-punched brain samples of about 0.5 mm3 size, MR images were aligned with a histological three-dimensional reconstruction of the punched brain and regions of interest (ROIs) were placed precisely over the punch voids. Results The Bland–Altman analysis of [Na+]br in normal and ischemic cortex and caudate putamen of seven rats quantitated by 23Na MRI and flame photometry yielded a mean bias and limits of agreement (at ±1.96 SD) of 2% and 43% of average, respectively. A linear increase in [Na+]br was observed between 1 and 6 hours after middle cerebral artery occlusion. Conclusion 23Na MRI provides accurate and reliable results within the whole range of [Na+]br in ischemia with a temporal resolution of 5.3 minutes and precisely targeted submicroliter ROIs in selected brain structures. PMID:19306443

  10. NMR imaging of cell phone radiation absorption in brain tissue.

    PubMed

    Gultekin, David H; Moeller, Lothar

    2013-01-02

    A method is described for measuring absorbed electromagnetic energy radiated from cell phone antennae into ex vivo brain tissue. NMR images the 3D thermal dynamics inside ex vivo bovine brain tissue and equivalent gel under exposure to power and irradiation time-varying radio frequency (RF) fields. The absorbed RF energy in brain tissue converts into Joule heat and affects the nuclear magnetic shielding and the Larmor precession. The resultant temperature increase is measured by the resonance frequency shift of hydrogen protons in brain tissue. This proposed application of NMR thermometry offers sufficient spatial and temporal resolution to characterize the hot spots from absorbed cell phone radiation in aqueous media and biological tissues. Specific absorption rate measurements averaged over 1 mg and 10 s in the brain tissue cover the total absorption volume. Reference measurements with fiber optic temperature sensors confirm the accuracy of the NMR thermometry.

  11. NMR imaging of cell phone radiation absorption in brain tissue

    PubMed Central

    Gultekin, David H.; Moeller, Lothar

    2013-01-01

    A method is described for measuring absorbed electromagnetic energy radiated from cell phone antennae into ex vivo brain tissue. NMR images the 3D thermal dynamics inside ex vivo bovine brain tissue and equivalent gel under exposure to power and irradiation time-varying radio frequency (RF) fields. The absorbed RF energy in brain tissue converts into Joule heat and affects the nuclear magnetic shielding and the Larmor precession. The resultant temperature increase is measured by the resonance frequency shift of hydrogen protons in brain tissue. This proposed application of NMR thermometry offers sufficient spatial and temporal resolution to characterize the hot spots from absorbed cell phone radiation in aqueous media and biological tissues. Specific absorption rate measurements averaged over 1 mg and 10 s in the brain tissue cover the total absorption volume. Reference measurements with fiber optic temperature sensors confirm the accuracy of the NMR thermometry. PMID:23248293

  12. Stellar (n ,γ ) cross sections of 23Na

    NASA Astrophysics Data System (ADS)

    Uberseder, E.; Heil, M.; Käppeler, F.; Lederer, C.; Mengoni, A.; Bisterzo, S.; Pignatari, M.; Wiescher, M.

    2017-02-01

    The cross section of the 23Na(n ,γ )24Na reaction was measured via the activation method at the Karlsruhe 3.7 MV Van de Graaff accelerator. NaCl samples were exposed to quasistellar neutron spectra at k T =5.1 and 25 keV produced via the 18O(p ,n )18F and 7Li(p ,n )7Be reactions, respectively. The derived capture cross sections <σ> kT =5 keV=9.1 ±0.3 mb and <σ> kT =25 keV=2.03 ±0.05 mb are significantly lower than reported in literature. These results were used to substantially revise the radiative width of the first 23Na resonance and to establish an improved set of Maxwellian average cross sections. The implications of the lower capture cross section for current models of s -process nucleosynthesis are discussed.

  13. Surface NMR imaging with simultaneously energized transmission loops

    NASA Astrophysics Data System (ADS)

    Irons, T. P.; Kass, A.; Parsekian, A.

    2016-12-01

    Surface nuclear magnetic resonance (sNMR) is a unique geophysical technique which allows for the direct detection of liquid-phase water. In saturated media the sNMR response also provides estimates of hydrologic properties including porosity and permeability. The most common survey deployment consists of a single coincident loop performing both transmission and receiving. Because the sNMR method is relatively slow, tomography using coincident loops is time-intensive. Surveys using multiple receiver loops (but a single transmitter) provide additional sensitivity; however, they still require iterating transmission over the loops, and do not decrease survey acquisition time. In medical rotating frame imaging, arrays of transmitters are employed in order to decrease acquisition time, whilst optimizing image resolving power-a concept which we extend to earth's field imaging. Using simultaneously energized transmission loops decreases survey time linearly with the number of channels. To demonstrate the efficacy and benefits of multiple transmission loops, we deployed simultaneous sNMR transmission arrays using minimally coupled loops and a specially modified instrument at the Red Buttes Hydrogeophysics Experiment Site-a well-characterized location near Laramie, Wyoming. The proposed survey proved capable of acquiring multiple-channel imaging data with comparable noise levels to figure-eight configurations. Finally, the channels can be combined after acquisition or inverted simultaneously to provide composite datasets and images. This capability leverages the improved near surface resolving power of small loops but retains sensitivity to deep media through the use of synthetic aperature receivers. As such, simultaneously acquired loop arrays provide a great deal of flexibility.

  14. Studying skin penetration by NMR imaging

    NASA Astrophysics Data System (ADS)

    Burg, J. M.; Voelker, M.; Schlupp, P.; Schmidts, T.; Maeder, U.; Bergmann, T.; Runkel, F.; Heverhagen, J. T.; Fiebich, M.

    2011-03-01

    Skin penetration studies are an important part for the development of dermal drug carrier systems. As a novel approach a 7-tesla Magnetic Resonance Imaging (MRI) Scanner was used to obtain information about the penetration of agents into the skin. The main advantage of this method is, that the properties of the skin does not influence the signals. Compared to optical assessments the MRI method is not limited to imaging depth. Furthermore, it is possible to analyze fat and water components of the skin separately. The aim of this work was to evaluate, if this method is a promising analysis tool for the visualization of the transport of substances across the skin. Gadobutrol (Gadovist®1.0), respresenting a coventional contrast agent in MRI, was used as a model drug for the visualization of the skin penetration. These first promising results showed that Gadobutrol, incorporated in an oil-in-water emulsion, could be detected across the skin tissue compared to an aqueous solution. After 24 hours, the pixel intensity value was increased about 4-fold compared to an untreated tissue.

  15. Improvements in Technique of NMR Imaging and NMR Diffusion Measurements in the Presence of Background Gradients.

    NASA Astrophysics Data System (ADS)

    Lian, Jianyu

    In this work, modification of the cosine current distribution rf coil, PCOS, has been introduced and tested. The coil produces a very homogeneous rf magnetic field, and it is inexpensive to build and easy to tune for multiple resonance frequency. The geometrical parameters of the coil are optimized to produce the most homogeneous rf field over a large volume. To avoid rf field distortion when the coil length is comparable to a quarter wavelength, a parallel PCOS coil is proposed and discussed. For testing rf coils and correcting B _1 in NMR experiments, a simple, rugged and accurate NMR rf field mapping technique has been developed. The method has been tested and used in 1D, 2D, 3D and in vivo rf mapping experiments. The method has been proven to be very useful in the design of rf coils. To preserve the linear relation between rf output applied on an rf coil and modulating input for an rf modulating -amplifying system of NMR imaging spectrometer, a quadrature feedback loop is employed in an rf modulator with two orthogonal rf channels to correct the amplitude and phase non-linearities caused by the rf components in the rf system. The modulator is very linear over a large range and it can generate an arbitrary rf shape. A diffusion imaging sequence has been developed for measuring and imaging diffusion in the presence of background gradients. Cross terms between the diffusion sensitizing gradients and background gradients or imaging gradients can complicate diffusion measurement and make the interpretation of NMR diffusion data ambiguous, but these have been eliminated in this method. Further, the background gradients has been measured and imaged. A dipole random distribution model has been established to study background magnetic fields Delta B and background magnetic gradients G_0 produced by small particles in a sample when it is in a B_0 field. From this model, the minimum distance that a spin can approach a particle can be determined by measuring

  16. Exploiting Image Registration for Automated Resonance Assignment in NMR

    PubMed Central

    Strickland, Madeleine; Stephens, Thomas; Liu, Jian; Tjandra, Nico

    2015-01-01

    Summary Analysis of protein NMR data involves the assignment of resonance peaks in a number of multidimensional data sets. To establish resonance assignment a three-dimensional search is used to match a pair of common variables, such as chemical shifts of the same spin system, in different NMR spectra. We show that by displaying the variables to be compared in two-dimensional plots the process can be simplified. Moreover, by utilizing a fast Fourier transform (FFT) cross-correlation algorithm, more common to the field of image registration or pattern matching, we can automate this process. Here, we use sequential NMR backbone assignment as an example to show that the combination of correlation plots and segmented pattern matching establishes fast backbone assignment in fifteen proteins of varying sizes. For example, the 265-residue RalBP1 protein was 95.4% correctly assigned in 10 seconds. The same concept can be applied to any multidimensional NMR data set where analysis comprises the comparison of two variables. This modular and robust approach offers high efficiency with excellent computational scalability and could be easily incorporated into existing assignment software. PMID:25828257

  17. Exploiting image registration for automated resonance assignment in NMR.

    PubMed

    Strickland, Madeleine; Stephens, Thomas; Liu, Jian; Tjandra, Nico

    2015-06-01

    Analysis of protein NMR data involves the assignment of resonance peaks in a number of multidimensional data sets. To establish resonance assignment a three-dimensional search is used to match a pair of common variables, such as chemical shifts of the same spin system, in different NMR spectra. We show that by displaying the variables to be compared in two-dimensional plots the process can be simplified. Moreover, by utilizing a fast Fourier transform cross-correlation algorithm, more common to the field of image registration or pattern matching, we can automate this process. Here, we use sequential NMR backbone assignment as an example to show that the combination of correlation plots and segmented pattern matching establishes fast backbone assignment in fifteen proteins of varying sizes. For example, the 265-residue RalBP1 protein was 95.4% correctly assigned in 10 s. The same concept can be applied to any multidimensional NMR data set where analysis comprises the comparison of two variables. This modular and robust approach offers high efficiency with excellent computational scalability and could be easily incorporated into existing assignment software.

  18. Time resolved spectroscopic NMR imaging using hyperpolarized 129Xe

    NASA Astrophysics Data System (ADS)

    Han, S.; Kühn, H.; Häsing, F. W.; Münnemann, K.; Blümich, B.; Appelt, S.

    2004-04-01

    We have visualized the melting and dissolution processes of xenon (Xe) ice into different solvents using the methods of nuclear magnetic resonance (NMR) spectroscopy, imaging, and time resolved spectroscopic imaging by means of hyperpolarized 129Xe. Starting from the initial condition of a hyperpolarized solid Xe layer frozen on top of an ethanol (ethanol/water) ice block we measured the Xe phase transitions as a function of time and temperature. In the pure ethanol sample, pieces of Xe ice first fall through the viscous ethanol to the bottom of the sample tube and then form a thin layer of liquid Xe/ethanol. The xenon atoms are trapped in this liquid layer up to room temperature and keep their magnetization over a time period of 11 min. In the ethanol/water mixture (80 vol%/20%), most of the polarized Xe liquid first stays on top of the ethanol/water ice block and then starts to penetrate into the pores and cracks of the ethanol/water ice block. In the final stage, nearly all the Xe polarization is in the gas phase above the liquid and trapped inside the pores. NMR spectra of homogeneous samples of pure ethanol containing thermally polarized Xe and the spectroscopic images of the melting process show that very high concentrations of hyperpolarized Xe (about half of the density of liquid Xe) can be stored or delivered in pure ethanol.

  19. Experimental study of the astrophysically important 23Na(α ,p )26Mg and 23Na(α ,n )26Al reactions

    NASA Astrophysics Data System (ADS)

    Avila, M. L.; Rehm, K. E.; Almaraz-Calderon, S.; Ayangeakaa, A. D.; Dickerson, C.; Hoffman, C. R.; Jiang, C. L.; Kay, B. P.; Lai, J.; Nusair, O.; Pardo, R. C.; Santiago-Gonzalez, D.; Talwar, R.; Ugalde, C.

    2016-12-01

    The 23Na(α ,p )26Mg and 23Na(α ,n )26Al reactions are important for our understanding of the 26Al abundance in massive stars. The aim of this work is to report on a direct and simultaneous measurement of these astrophysically important reactions using an active target system. The reactions were investigated in inverse kinematics using 4He as the active target gas in the detector. We measured the excitation functions in the energy range of about 2 to 6 MeV in the center of mass. We have found that the cross sections of the 23Na(α ,p )26Mg and the 23Na(α ,n )26Al reactions are in good agreement with previous experiments and with statistical-model calculations. The astrophysical reaction rate of the 23Na(α ,n )26Al reaction has been reevaluated and it was found to be larger than the recommended rate.

  20. Inhomogeneous Sodium Accumulation in the Ischemic Core in Rat Focal Cerebral Ischemia by 23Na MRI

    PubMed Central

    Yushmanov, Victor E.; Kharlamov, Alexander; Yanovski, Boris; LaVerde, George; Boada, Fernando E.; Jones, Stephen C.

    2009-01-01

    Purpose To test the hypotheses that 1) the regional heterogeneity of brain sodium concentration ([Na+]br) provides a parameter for ischemic progression not available from apparent diffusion coefficient (ADC) data, and 2) [Na+]br increases more in ischemic cortex than in the caudate putamen (CP) with its lesser collateral circulation after middle cerebral artery occlusion in the rat. Materials and Methods Twisted projection imaging 23Na MRI was performed at 3 T. [Na+]br was independently determined by flame photometry. The ischemic core was localized by ADC, by microtubule-associated protein-2 immunohistochemistry, and by changes in surface reflectivity. Results Within the ischemic core, the ADC ratio relative to the contralateral tissue was homogeneous (0.63 ± 0.07), whereas the rate of [Na+]br increase (slope) was heterogeneous (P < 0.005): 22 ± 4%/h in the sites of maximum slope vs. 14 ± 1%/h elsewhere (here 100% is [Na+]br in the contralateral brain). Maximum slopes in the cortex were higher than in CP (P < 0.05). In the ischemic regions, there was no slope/ADC correlation between animals and within the same brain (P > 0.1). Maximum slope was located at the periphery of ischemic core in 8/10 animals. Conclusion Unlike ADC, 23Na MRI detected within-core ischemic lesion heterogeneity. PMID:19557842

  1. NMR second moment imaging using Jeener-Broekaert dipolar signals.

    PubMed

    Matsui, S; Saito, S; Hashimoto, T; Inouye, T

    2003-01-01

    It is demonstrated that imaging of the 1H NMR second moment can be achieved by using the Jeener-Broekaert (JB) dipolar signal instead of the Zeeman FID signal commonly employed. The JB dipolar signal can be induced by applying a JB pulse sequence, 90 degrees (x)-tau-45 degrees (y)-tau(')-45 degrees (y), which is followed by the time-suspension magic echo sequence, TREV-16TS, for imaging detection. Scanning the imaging detection to cover the whole evolution of the JB dipolar signal finally results in producing spatially resolved JB dipolar signals. The local value of the quantity called the "JB second moment," M(2(JB)), is then estimated from the initial slope of each resolved JB dipolar signal. The M(2(JB)) can be regarded as the "weighted" powder average of the usual second moment. The "weighting" effect due to the JB sequence leads to the tau dependent M(2(JB)) value. The tau dependence is potentially useful for characterizing the second moment distribution resulting from the crystal orientation dependence: For example, in addition to the usual powder average, an approximate distribution range can be deduced by a simple analysis of the tau dependence, serving as a new contrast for materials imaging. This is illustrated by preliminary experiments performed on test samples.

  2. Design of a multimodal ((1)H/(23)Na MR/CT) anthropomorphic thorax phantom.

    PubMed

    Neumann, Wiebke; Lietzmann, Florian; Schad, Lothar R; Zöllner, Frank G

    2017-06-01

    This work proposes a modular, anthropomorphic MR and CT thorax phantom that enables the comparison of experimental studies for quantitative evaluation of deformable, multimodal image registration algorithms and realistic multi-nuclear MR imaging techniques. A human thorax phantom was developed with insertable modules representing lung, liver, ribs and additional tracking spheres. The quality of human tissue mimicking characteristics was evaluated for (1)H and (23)Na MR as well as CT imaging. The position of landmarks in the lung lobes was tracked during CT image acquisition at several positions during breathing cycles. (1)H MR measurements of the liver were repeated after seven months to determine long term stability. The modules possess HU, T1 and T2 values comparable to human tissues (lung module: -756±148HU, artificial ribs: 218±56HU (low CaCO3 concentration) and 339±121 (high CaCO3 concentration), liver module: T1=790±28ms, T2=65±1ms). Motion analysis showed that the landmarks in the lung lobes follow a 3D trajectory similar to human breathing motion. The tracking spheres are well detectable in both CT and MRI. The parameters of the tracking spheres can be adjusted in the following ranges to result in a distinct signal: HU values from 150 to 900HU, T1 relaxation time from 550ms to 2000ms, T2 relaxation time from 40ms to 200ms. The presented anthropomorphic multimodal thorax phantom fulfills the demands of a simple, inexpensive system with interchangeable components. In future, the modular design allows for complementing the present set up with additional modules focusing on specific research targets such as perfusion studies, (23)Na MR quantification experiments and an increasing level of complexity for motion studies. Copyright © 2016. Published by Elsevier GmbH.

  3. NMR imaging of anomalous solvent transport in macromolecular materials

    SciTech Connect

    Cody, G.D.; Botto, R.E.

    1993-08-01

    Systems in which a change in state accompanies solvent transport, exhibits a sharp solvent front that penetrates the sample like a shock wave; such behavior is called case II transport to distinguish it from Fickian transport. This occurs in macromolecule/solvent systems such as bituminous coals swollen in pyridine; the only requirement for case II behavior is a glassy state in the dry state, crossing over to a rubbery state during solvent uptake. A sharply defined solvent front and a constant front velocity are present. Case II behavior are related to relative magnitudes of characteristic diffusion times and molecular relaxation times. An experimental study of case II transport of methanol in polyethylmethacrylate and pyridine in coal using optical and NMR imaging techniques is reported in this paper.

  4. Using an NMR Spectrometer to Do Magnetic Resonance Imaging: An Undergraduate Physical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Steinmetz, Wayne E.; Maher, M. Cyrus

    2007-01-01

    A conventional Fourier-transform NMR spectrometer with a triple-axis gradient probe can function as a MRI imager. In this experiment students gain hands-on experience with MRI while they learn about important principles underlying the practice of NMR, such as gradients, multi-dimensional spectroscopy, and relaxation. Students image a biological…

  5. Using an NMR Spectrometer to Do Magnetic Resonance Imaging: An Undergraduate Physical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Steinmetz, Wayne E.; Maher, M. Cyrus

    2007-01-01

    A conventional Fourier-transform NMR spectrometer with a triple-axis gradient probe can function as a MRI imager. In this experiment students gain hands-on experience with MRI while they learn about important principles underlying the practice of NMR, such as gradients, multi-dimensional spectroscopy, and relaxation. Students image a biological…

  6. Nuclear magnetic resonance apparatus having semitoroidal rf coil for use in topical NMR and NMR imaging

    DOEpatents

    Fukushima, Eiichi; Roeder, Stephen B. W.; Assink, Roger A.; Gibson, Atholl A. V.

    1986-01-01

    An improved nuclear magnetic resonance (NMR) apparatus for use in topical magnetic resonance (TMR) spectroscopy and other remote sensing NMR applications includes a semitoroidal radio-frequency (rf) coil. The semitoroidal rf coil produces an effective alternating magnetic field at a distance from the poles of the coil, so as to enable NMR measurements to be taken from selected regions inside an object, particularly including human and other living subjects. The semitoroidal rf coil is relatively insensitive to magnetic interference from metallic objects located behind the coil, thereby rendering the coil particularly suited for use in both conventional and superconducting NMR magnets. The semitoroidal NMR coil can be constructed so that it emits little or no excess rf electric field associated with the rf magnetic field, thus avoiding adverse effects due to dielectric heating of the sample or to any other interaction of the electric field with the sample.

  7. The Na+ transport in gram-positive bacteria defect in the Mrp antiporter complex measured with 23Na nuclear magnetic resonance.

    PubMed

    Górecki, Kamil; Hägerhäll, Cecilia; Drakenberg, Torbjörn

    2014-01-15

    (23)Na nuclear magnetic resonance (NMR) has previously been used to monitor Na(+) translocation across membranes in gram-negative bacteria and in various other organelles and liposomes using a membrane-impermeable shift reagent to resolve the signals resulting from internal and external Na(+). In this work, the (23)Na NMR method was adapted for measurements of internal Na(+) concentration in the gram-positive bacterium Bacillus subtilis, with the aim of assessing the Na(+) translocation activity of the Mrp (multiple resistance and pH) antiporter complex, a member of the cation proton antiporter-3 (CPA-3) family. The sodium-sensitive growth phenotype observed in a B. subtilis strain with the gene encoding MrpA deleted could indeed be correlated to the inability of this strain to maintain a lower internal Na(+) concentration than an external one.

  8. Consortium to develop the medical uses of NMR imaging, NMR spectroscopy, and positron emission tomography. Final technical report

    SciTech Connect

    Pohost, G.M.

    1998-06-01

    The goal of this work is to, perform clinically relevant studies using a new whole-body 4.1 T NMR imaging spectrometer. Initially we will develop and approach for the assessment of the severity of skeletal muscle involvement in ischemic peripheral vascular disease.

  9. Magnetic Particle Imaging (MPI) for NMR and MRI researchers

    NASA Astrophysics Data System (ADS)

    Saritas, Emine U.; Goodwill, Patrick W.; Croft, Laura R.; Konkle, Justin J.; Lu, Kuan; Zheng, Bo; Conolly, Steven M.

    2013-04-01

    Magnetic Particle Imaging (MPI) is a new tracer imaging modality that is gaining significant interest from NMR and MRI researchers. While the physics of MPI differ substantially from MRI, it employs hardware and imaging concepts that are familiar to MRI researchers, such as magnetic excitation and detection, pulse sequences, and relaxation effects. Furthermore, MPI employs the same superparamagnetic iron oxide (SPIO) contrast agents that are sometimes used for MR angiography and are often used for MRI cell tracking studies. These SPIOs are much safer for humans than iodine or gadolinium, especially for Chronic Kidney Disease (CKD) patients. The weak kidneys of CKD patients cannot safely excrete iodine or gadolinium, leading to increased morbidity and mortality after iodinated X-ray or CT angiograms, or after gadolinium-MRA studies. Iron oxides, on the other hand, are processed in the liver, and have been shown to be safe even for CKD patients. Unlike the “black blood” contrast generated by SPIOs in MRI due to increased T2∗ dephasing, SPIOs in MPI generate positive, “bright blood” contrast. With this ideal contrast, even prototype MPI scanners can already achieve fast, high-sensitivity, and high-contrast angiograms with millimeter-scale resolutions in phantoms and in animals. Moreover, MPI shows great potential for an exciting array of applications, including stem cell tracking in vivo, first-pass contrast studies to diagnose or stage cancer, and inflammation imaging in vivo. So far, only a handful of prototype small-animal MPI scanners have been constructed worldwide. Hence, MPI is open to great advances, especially in hardware, pulse sequence, and nanoparticle improvements, with the potential to revolutionize the biomedical imaging field.

  10. Magnetic particle imaging (MPI) for NMR and MRI researchers.

    PubMed

    Saritas, Emine U; Goodwill, Patrick W; Croft, Laura R; Konkle, Justin J; Lu, Kuan; Zheng, Bo; Conolly, Steven M

    2013-04-01

    Magnetic Particle Imaging (MPI) is a new tracer imaging modality that is gaining significant interest from NMR and MRI researchers. While the physics of MPI differ substantially from MRI, it employs hardware and imaging concepts that are familiar to MRI researchers, such as magnetic excitation and detection, pulse sequences, and relaxation effects. Furthermore, MPI employs the same superparamagnetic iron oxide (SPIO) contrast agents that are sometimes used for MR angiography and are often used for MRI cell tracking studies. These SPIOs are much safer for humans than iodine or gadolinium, especially for Chronic Kidney Disease (CKD) patients. The weak kidneys of CKD patients cannot safely excrete iodine or gadolinium, leading to increased morbidity and mortality after iodinated X-ray or CT angiograms, or after gadolinium-MRA studies. Iron oxides, on the other hand, are processed in the liver, and have been shown to be safe even for CKD patients. Unlike the "black blood" contrast generated by SPIOs in MRI due to increased T2* dephasing, SPIOs in MPI generate positive, "bright blood" contrast. With this ideal contrast, even prototype MPI scanners can already achieve fast, high-sensitivity, and high-contrast angiograms with millimeter-scale resolutions in phantoms and in animals. Moreover, MPI shows great potential for an exciting array of applications, including stem cell tracking in vivo, first-pass contrast studies to diagnose or stage cancer, and inflammation imaging in vivo. So far, only a handful of prototype small-animal MPI scanners have been constructed worldwide. Hence, MPI is open to great advances, especially in hardware, pulse sequence, and nanoparticle improvements, with the potential to revolutionize the biomedical imaging field. Copyright © 2012 Elsevier Inc. All rights reserved.

  11. Single NMR image super-resolution based on extreme learning machine.

    PubMed

    Wang, Zhiqiong; Xin, Junchang; Wang, Zhongyang; Tian, Shuo; Qiu, Xuejun

    2016-10-01

    The performance limitation of MRI equipment and higher resolution demand of NMR images from radiologists have formed a strong contrast. Therefore, it is important to study the super resolution algorithm suitable for NMR images, using low costs software to replace the expensive equipment-updating. Firstly, a series of NMR images are obtained from original NMR images with original noise to the lowest resolution images with the highest noise. Then, based on extreme learning machine, the mapping relation model is constructed from lower resolution NMR images with higher noise to higher resolution NMR images with lower noise in each pair of adjacent images in the obtained image sequence. Finally, the optimal mapping model is established by the ensemble way to reconstruct the higher resolution NMR images with lower noise on the basis of original resolution NMR images with original noise. Experiments are carried out by 990111 NMR brain images in datasets NITRC, REMBRANDT, RIDER NEURO MRI, TCGA-GBM and TCGA-LGG. The performance of proposed method is compared with three approaches through 7 indexes, and the experimental results show that our proposed method has a significant improvement. Since our method considers the influence of the noise, it has 20% higher in Peak-Signal-to-Noise-Ratio comparison. As our method is sensitive to details, and has a better characteristic retention, it has higher image quality upgrade of 15% in the additional evaluation. Finally, since extreme learning machine has a celerity learning speed, our method is 46.1% faster. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

  12. Practical design of a 4 Tesla double-tuned RF surface coil for interleaved 1H and 23Na MRI of rat brain

    NASA Astrophysics Data System (ADS)

    Alecci, M.; Romanzetti, S.; Kaffanke, J.; Celik, A.; Wegener, H. P.; Shah, N. J.

    2006-08-01

    MRI is proving to be a very useful tool for sodium quantification in animal models of stroke, ischemia, and cancer. In this work, we present the practical design of a dual-frequency RF surface coil that provides 1H and 23Na images of the rat head at 4 T. The dual-frequency RF surface coil comprised of a large loop tuned to the 1H frequency and a smaller co-planar loop tuned to the 23Na frequency. The mutual coupling between the two loops was eliminated by the use of a trap circuit inserted in the smaller coil. This independent-loop design was versatile since it enabled a separate optimisation of the sensitivity and RF field distributions of the two coils. To allow for an easy extension of this simple double-tuned coil design to other frequencies (nuclei) and dimensions, we describe in detail the practical aspects of the workbench design and MRI testing using a phantom that mimics in vivo conditions. A comparison between our independent-loop, double-tuned coil and a single-tuned 23Na coil of equal size obtained with a phantom matching in vivo conditions, showed a reduction of the 23Na sensitivity (about 28 %) because of signal losses in the trap inductance. Typical congruent 1H and 23Na rat brain images showing good SNR ( 23Na: brain 7, ventricular cerebrospinal fluid 11) and spatial resolution ( 23Na: 1.25 × 1.25 × 5 mm 3) are also reported. The in vivo SNR values obtained with this coil were comparable to, if not better than, other contemporary designs in the literature.

  13. Multinuclear Magnetic Resonance Imaging and NMR Spectroscopy in Biomedical Investigations

    NASA Astrophysics Data System (ADS)

    Pirogov, Yury A.

    Biomedical investigations with small animals using 0.5-T and 7-T MRI scanners adjusted on the Larmor frequencies of different nuclei 1H, 2H, 11B, 13C, 19F, 23Na, 31P, 35Cl are described. Experiments on registration of signals 19F from the fluorocarbons injected in laboratory animals are discussed. They give presentation on the application of fluorocarbon compounds as blood substitutes and contrasting preparations in MRI diagnostics. A blood substitute product fluorocarbon Perfluoranum® has shown effectiveness in oxygen delivery to the tissues of living organisms, and cardioprotective effect which does not depend on the patient's blood group. Inclusion of paramagnetic atoms (gadolinium, iron, etc.) to the Perfluoranum® chemical formula creates a new compounds with high MRI contrast efficiencies at Larmor frequencies of protons so and fluorine-19 nuclei.

  14. FLASH imaging: Rapid NMR imaging using low flip-angle pulses

    NASA Astrophysics Data System (ADS)

    Haase, A.; Frahm, J.; Matthaei, D.; Hänicke, W.; Merboldt, K.-D.

    2011-12-01

    A new method for rapid NMR imaging dubbed FLASH ( fast low-angle shot) imaging is described which, for example, allows measuring times of the order of 1 s (64 × 128 pixel resolution) or 6 s (256 × 256 pixels). The technique takes advantage of excitation pukes with small hip angles eliminating the need of waiting periods in between successive experiments. It is based on the acquisition of the free induction decay in the form of a gradient echo generated by reversal of the read gradient. The entire imaging time is only given by the number of projections desired times the duration of slice selection and data acquisition. The method results in about a 100-fold reduction in measuring time without sacrificing spatial resolution. Further advantages are an optimized signal-to-noise ratio, the applicability of commercial gradient systems, and the deposition of extremely low rf power. FLASH imaging is demonstrated on phantoms, animals, and human extremities using a 2.3 T 40 cm bore magnet system. 1H NMR images are obtained with variable relaxation time contrasts and without motional artifacts.

  15. Characterization of cromolyn sodium hydrates and its formulation by (23) Na-multiquantum and magic-angle spinning nuclear magnetic resonance spectroscopy.

    PubMed

    Umino, Makoto; Higashi, Kenjirou; Masu, Hyuma; Limwikrant, Waree; Yamamoto, Keiji; Moribe, Kunikazu

    2013-08-01

    We characterized cromolyn sodium (CS) hydrates and evaluated their molecular states in low-dose formulations using Na-multiquantum magic-angle spinning (MQMAS) nuclear magnetic resonance (NMR) analysis. Two CS hydrates, low-water-content hydrated form and high-water-content hydrated form containing 2-3 and 5-6 hydrates, respectively, were prepared by humidification. Single-crystal X-ray diffraction and powder X-ray diffraction analysis revealed that these CS hydrates contained sodium channel structures and that water molecules were adsorbed on the sodium nucleus. (13) C-cross-polarization/MAS NMR spectra of these hydrates revealed similar results, confirming that the water molecules were adsorbed not on the cromolyn skeletons but mainly on the sodium nucleus. In contrast, (23) Na-MQMAS NMR analysis allowed us to clearly distinguish these hydrates without discernible effects from quadrupolar interaction. Thus, MQMAS NMR analysis is a valuable tool for evaluating salt drugs and their formulations.

  16. Iterative 3D projection reconstruction of (23) Na data with an (1) H MRI constraint.

    PubMed

    Gnahm, Christine; Bock, Michael; Bachert, Peter; Semmler, Wolfhard; Behl, Nicolas G R; Nagel, Armin M

    2014-05-01

    To increase the signal-to-noise ratio (SNR) and to reduce artifacts in non-proton magnetic resonance imaging (MRI) by incorporation of a priori information from (1) H MR data in an iterative reconstruction. An iterative reconstruction algorithm for 3D projection reconstruction (3DPR) is presented that combines prior anatomical knowledge and image sparsity under a total variation (TV) constraint. A binary mask (BM) is used as an anatomical constraint to penalize non-zero signal intensities outside the object. The BM&TV method is evaluated in simulations and in MR measurements in volunteers. In simulated BM&TV brain data, the artifact level was reduced by 20% while structures were well preserved compared to gridding. SNR maps showed a spatially dependent SNR gain over gridding reconstruction, which was up to 100% for simulated data. Undersampled 3DPR (23) Na MRI of the human brain revealed an SNR increase of 29 ± 7%. Small anatomical structures were reproduced with a mean contrast loss of 14%, whereas in TV-regularized iterative reconstructions a loss of 66% was found. The BM&TV algorithm allows reconstructing images with increased SNR and reduced artifact level compared to gridding and performs superior to an iterative reconstruction using an unspecific TV constraint only. Copyright © 2013 Wiley Periodicals, Inc.

  17. NMR imaging shows water distribution and transport in plant root systems in situ

    PubMed Central

    Bottomley, Paul A.; Rogers, Hugo H.; Foster, Thomas H.

    1986-01-01

    Images of Vicia faba L. root systems at 0.6-mm resolution, undisturbed and within the soil medium in which they were grown, have been obtained by using a 1.5-Tesla proton (1H) NMR medical imaging research system. Images of root systems in seven soil media (Cahaba soil, vermiculite, sand, perlite, fritted clay, potting soil, and peatlite) exhibited variable but useful quality owing to a diversity of magnetic properties of the soils. Root structure and pathology in the form of partial decay of hypogeal cotyledons were easily discernible. Water transport in roots with light-stressed foliage was demonstrated by using water doped with a paramagnetic NMR contrast agent, and the process of plant-wilt and recovery was monitored in situ. Images of germinated seeds within soil media indicated that dynamic observations of germination and growth are possible. The results suggest that NMR imaging can be an effective noninvasive tool for studying plants in situ. Images PMID:16593642

  18. Nuclear magnetic resonance (NMR) imaging of Arnold-Chiari type I malformation with hydromyelia

    SciTech Connect

    DeLaPaz, R.L.; Brady, T.J.; Buonanno, F.S.; New, P.F.; Kistler, J.P.; McGinnis, B.D.; Pykett, I.L.; Taveras, J.M.

    1983-02-01

    Saturation recovery nuclear magnetic resonance (NMR) images and metrizamide computed tomography (CT) scans were obtained in an adult patient with a clinical history suggestive of syringomyelia. Both NMR and CT studies showed low lying cerebellar tonsils. The CT study demonstrated central cavitation of the spinal cord from the midthoracic to midcervical levels but could not exclude an intramedullary soft tissue mass at the cervico-medullary junction. The NMR images in transverse, coronal, and sagittal planes demonstrated extension of an enlarged central spinal cord cerebrospinal fluid space to the cervico-medullary junction. This was felt to be strong evidence for exclusion of an intramedullary soft tissue mass and in favor of a diagnosis of Arnold-Chiari Type I malformation with hydromyelia. The noninvasive nature of spinal cord and cervico-medullary junction evaluation with NMR is emphasized.

  19. Targeted Molecular Imaging of Cancer Cells Using MS2-Based 129 Xe NMR

    SciTech Connect

    Jeong, Keunhong; Netirojjanakul, Chawita; Munch, Henrik K.; Sun, Jinny; Finbloom, Joel A.; Wemmer, David E.; Pines, Alexander; Francis, Matthew B.

    2016-07-25

    Targeted, selective, and highly sensitive 129Xe NMR nanoscale biosensors have been synthesized using a spherical MS2 viral capsid, Cryptophane A molecules, and DNA aptamers. The biosensors showed strong binding specificity toward targeted lymphoma cells (Ramos line). Hyperpolarized 129Xe NMR signal contrast and hyper-CEST 129Xe MRI image contrast indicated its promise as highly sensitive hyperpolarized 129Xe NMR nanoscale biosensor for future applications in cancer detection in vivo.

  20. 22Ne and 23Na ejecta from intermediate-mass stars: the impact of the new LUNA rate for 22Ne(p, γ)23Na

    NASA Astrophysics Data System (ADS)

    Slemer, A.; Marigo, P.; Piatti, D.; Aliotta, M.; Bemmerer, D.; Best, A.; Boeltzig, A.; Bressan, A.; Broggini, C.; Bruno, C. G.; Caciolli, A.; Cavanna, F.; Ciani, G. F.; Corvisiero, P.; Davinson, T.; Depalo, R.; Di Leva, A.; Elekes, Z.; Ferraro, F.; Formicola, A.; Fülöp, Zs.; Gervino, G.; Guglielmetti, A.; Gustavino, C.; Gyürky, G.; Imbriani, G.; Junker, M.; Menegazzo, R.; Mossa, V.; Pantaleo, F. R.; Prati, P.; Straniero, O.; Szücs, T.; Takács, M. P.; Trezzi, D.

    2017-03-01

    We investigate the impact of the new LUNA rate for the nuclear reaction 22Ne(p, γ)23Na on the chemical ejecta of intermediate-mass stars, with particular focus on the thermally pulsing asymptotic giant branch (TP-AGB) stars that experience hot-bottom burning. To this aim, we use the PARSEC and COLIBRI codes to compute the complete evolution, from the pre-main sequence up to the termination of the TP-AGB phase, of a set of stellar models with initial masses in the range 3.0-6.0 M⊙ and metallicities Zi = 0.0005, 0.006 and 0.014. We find that the new LUNA measures have much reduced the nuclear uncertainties of the 22Ne and 23Na AGB ejecta that drop from factors of ≃10 to only a factor of few for the lowest metallicity models. Relying on the most recent estimations for the destruction rate of 23Na, the uncertainties that still affect the 22Ne and 23Na AGB ejecta are mainly dominated by the evolutionary aspects (efficiency of mass-loss, third dredge-up, convection). Finally, we discuss how the LUNA results impact on the hypothesis that invokes massive AGB stars as the main agents of the observed O-Na anticorrelation in Galactic globular clusters. We derive quantitative indications on the efficiencies of key physical processes (mass-loss, third dredge-up, sodium destruction) in order to simultaneously reproduce both the Na-rich, O-poor extreme of the anticorrelation and the observational constraints on the CNO abundance. Results for the corresponding chemical ejecta are made publicly available.

  1. Three-dimensional dictionary-learning reconstruction of (23)Na MRI data.

    PubMed

    Behl, Nicolas G R; Gnahm, Christine; Bachert, Peter; Ladd, Mark E; Nagel, Armin M

    2016-04-01

    To reduce noise and artifacts in (23)Na MRI with a Compressed Sensing reconstruction and a learned dictionary as sparsifying transform. A three-dimensional dictionary-learning compressed sensing reconstruction algorithm (3D-DLCS) for the reconstruction of undersampled 3D radial (23)Na data is presented. The dictionary used as the sparsifying transform is learned with a K-singular-value-decomposition (K-SVD) algorithm. The reconstruction parameters are optimized on simulated data, and the quality of the reconstructions is assessed with peak signal-to-noise ratio (PSNR) and structural similarity (SSIM). The performance of the algorithm is evaluated in phantom and in vivo (23)Na MRI data of seven volunteers and compared with nonuniform fast Fourier transform (NUFFT) and other Compressed Sensing reconstructions. The reconstructions of simulated data have maximal PSNR and SSIM for an undersampling factor (USF) of 10 with numbers of averages equal to the USF. For 10-fold undersampling, the PSNR is increased by 5.1 dB compared with the NUFFT reconstruction, and the SSIM by 24%. These results are confirmed by phantom and in vivo (23)Na measurements in the volunteers that show markedly reduced noise and undersampling artifacts in the case of 3D-DLCS reconstructions. The 3D-DLCS algorithm enables precise reconstruction of undersampled (23)Na MRI data with markedly reduced noise and artifact levels compared with NUFFT reconstruction. Small structures are well preserved. © 2015 Wiley Periodicals, Inc.

  2. In vivo observation of tree drought response with low-field NMR and neutron imaging

    DOE PAGES

    Malone, Michael W.; Yoder, Jacob; Hunter, James F.; ...

    2016-05-06

    Using a simple low-field NMR system, we monitored water content in a living tree in a greenhouse over 2 months. By continuously running the system, we observed changes in tree water content on a scale of half an hour. The data showed a diurnal change in water content consistent both with previous NMR and biological observations. Neutron imaging experiments show that our NMR signal is primarily due to water being rapidly transported through the plant, and not to other sources of hydrogen, such as water in cytoplasm, or water in cell walls. After accounting for the role of temperature inmore » the observed NMR signal, we demonstrate a change in the diurnal signal behavior due to simulated drought conditions for the tree. Lastly, these results illustrate the utility of our system to perform noninvasive measurements of tree water content outside of a temperature controlled environment.« less

  3. In vivo Observation of Tree Drought Response with Low-Field NMR and Neutron Imaging

    PubMed Central

    Malone, Michael W.; Yoder, Jacob; Hunter, James F.; Espy, Michelle A.; Dickman, Lee T.; Nelson, Ron O.; Vogel, Sven C.; Sandin, Henrik J.; Sevanto, Sanna

    2016-01-01

    Using a simple low-field NMR system, we monitored water content in a living tree in a greenhouse over 2 months. By continuously running the system, we observed changes in tree water content on a scale of half an hour. The data showed a diurnal change in water content consistent both with previous NMR and biological observations. Neutron imaging experiments show that our NMR signal is primarily due to water being rapidly transported through the plant, and not to other sources of hydrogen, such as water in cytoplasm, or water in cell walls. After accounting for the role of temperature in the observed NMR signal, we demonstrate a change in the diurnal signal behavior due to simulated drought conditions for the tree. These results illustrate the utility of our system to perform noninvasive measurements of tree water content outside of a temperature controlled environment. PMID:27200037

  4. Remote detection NMR imaging of gas phase hydrogenation in microfluidic chips.

    PubMed

    Zhivonitko, Vladimir V; Telkki, Ville-Veikko; Leppäniemi, Jarmo; Scotti, Gianmario; Franssila, Sami; Koptyug, Igor V

    2013-04-21

    The heterogeneous hydrogenation reaction of propene into propane in microreactors is studied by remote detection (RD) nuclear magnetic resonance (NMR). The reactors consist of 36 parallel microchannels (50 × 50 μm(2) cross sections) coated with a platinum catalyst. We show that RD NMR is capable of monitoring reactions with sub-millimeter spatial resolution over a field-of-view of 30 × 8 mm(2) with a steady-state time-of-flight time resolution in the tens of milliseconds range. The method enables the visualization of active zones in the reactors, and time-of-flight is used to image the flow velocity variations inside the reactor. The overall reaction yields determined by NMR varied from 10% to 50%, depending on the flow rate, temperature and length of the reaction channels. The reaction yield was highest for the channels with the lowest flow velocity. Propane T1 relaxation time in the channels, estimated by means of RD NMR images, was 270 ± 18 ms. No parahydrogen-induced polarization (PHIP) was observed in experiments carried out using parahydrogen-enriched H2, indicating fast spreading of the hydrogen atoms on the sputtered Pt surface. In spite of the low concentration of gases, RD NMR made imaging of gas phase hydrogenation of propene in microreactors feasible, and it is a highly versatile method for characterizing on-chip chemical reactions.

  5. Overhauser dynamic nuclear polarization amplification of NMR flow imaging.

    PubMed

    Lingwood, Mark D; Sederman, Andrew J; Mantle, Mick D; Gladden, Lynn F; Han, Songi

    2012-03-01

    We describe the first study comparing the ability of phase shift velocity imaging and Overhauser dynamic nuclear polarization (DNP)-enhanced imaging to generate contrast for visualizing the flow of water. Prepolarization of water by the Overhauser DNP mechanism is performed in the 0.35T fringe field of an unshielded 2.0T non-clinical MRI magnet, followed by the rapid transfer of polarization-enhanced water to the 2.0T imaging location. This technique, previously named remotely enhanced liquids for image contrast (RELIC), produces a continuous flow of hyperpolarized water and gives up to an -8.2-fold enhanced signal within the image with respect to thermally polarized signal at 2.0T. Using flow through a cylindrical expansion phantom as a model system, spin-echo intensity images with DNP are compared to 3D phase shift velocity images to illustrate the complementary information available from the two techniques. The spin-echo intensity images enhanced with DNP show that the levels of enhancement provide an estimate of the transient propagation of flow, while the phase shift velocity images quantitatively measure the velocity of each imaging voxel. Phase shift velocity images acquired with and without DNP show that DNP weights velocity values towards those of the inflowing (DNP-enhanced) water, while velocity images without DNP more accurately reflect the average steady-state velocity of each voxel. We conclude that imaging with DNP prepolarized water better captures the transient path of water shortly after injection, while phase shift velocity imaging is best for quantifying the steady-state flow of water throughout the entire phantom. Copyright © 2012 Elsevier Inc. All rights reserved.

  6. Cross Section Measurements for the 23Na(p,γ)24Mg Reaction at LUNA

    NASA Astrophysics Data System (ADS)

    Boeltzig, Axel; LUNA Collaboration

    2016-02-01

    LUNA, the Laboratory for Underground Nuclear Astrophysics, is an accelerator facility for measurements of nuclear cross sections of astrophysical interest. The greatly reduced cosmic ray background at LUNA's underground location in the Gran Sasso National Laboratory (LNGS) allows direct measurements of weak reactions at low energies. One of the reactions currently under study at LUNA is 23Na(p,γ)24Mg, which links the NeNa and MgAl cycles in stellar burning. The LUNA facility is presented, with a focus on the current experimental efforts to study the reaction 23Na(p,γ)24Mg.

  7. Mechanical Behavior of Polymer Gels for RDCs and RCSAs Collection: NMR Imaging Study of Buckling Phenomena.

    PubMed

    Hellemann, Erich; Teles, Rubens R; Hallwass, Fernando; Barros, W; Navarro-Vázquez, Armando; Gil, Roberto R

    2016-11-07

    Anisotropic NMR parameters, such as residual dipolar couplings (RDCs), residual chemical shift anisotropies (RCSAs) and residual quadrupolar couplings (RQCs or ΔνQ ), appear in solution-state NMR when the molecules under study are subjected to a degree of order. The tunable alignment by reversible compression/relaxation of gels (PMMA and p-HEMA) is an easy, user-friendly, and very affordable method to measure them. When using this method, a fraction of isotropic NMR signals is observed in the NMR spectra, even at a maximum degree of compression. To explain the origin of these isotropic signals we decided to investigate their physical location inside the NMR tube using deuterium 1D imaging and MRI micro-imaging experiments. It was observed that after a certain degree of compression the gels start to buckle and they generate pockets of isotropic solvent, which are never eliminated. The amount of buckling depends on the amount of cross-linker and the length of the gel.

  8. Creation of a strongly dipolar gas of ultracold ground-state 23 Na87 Rb molecules

    NASA Astrophysics Data System (ADS)

    Guo, Mingyang; Zhu, Bing; Lu, Bo; Ye, Xin; Wang, Fudong; Wang, Dajun; Vexiau, Romain; Bouloufa-Maafa, Nadia; Quéméner, Goulven; Dulieu, Olivier

    2016-05-01

    We report on successful creation of an ultracold sample of ground-state 23 Na87 Rb molecules with a large effective electric dipole moment. Through a carefully designed two-photon Raman process, we have successfully transferred the magneto-associated Feshbach molecules to the singlet ground state with high efficiency, obtaining up to 8000 23 Na87 Rb molecules with peak number density over 1011 cm-3 in their absolute ground-state level. With an external electric field, we have induced an effective dipole moment over 1 Debye, making 23 Na87 Rb the most dipolar ultracold particle ever achieved. Contrary to the expectation, we observed a rather fast population loss even for 23 Na87 Rb in the absolute ground state with the bi-molecular exchange reaction energetically forbidden. The origin for the short lifetime and possible ways of mitigating it are currently under investigation. Our achievements pave the way toward investigation of ultracold bosonic molecules with strong dipolar interactions. This work is supported by the Hong Kong RGC CUHK404712 and the ANR/RGC Joint Research Scheme ACUHK403/13.

  9. Lithium Visibility in Rat Brain and Muscle in Vivoby 7Li NMR Imaging

    NASA Astrophysics Data System (ADS)

    Komoroski, Richard A.; Pearce, John M.; Newton, Joseph E. O.

    1998-07-01

    The apparent concentration of lithium (Li)in vivowas determined for several regions in the brain and muscle of rats by7Li NMR imaging at 4.7 T with inclusion of an external standard of known concentration and visibility. The average apparent concentrations were 10.1 mM for muscle, and 4.2-5.3 mM for various brain regions under the dosing conditions used. The results were compared to concentrations determinedin vitroby high-resolution7Li NMR spectroscopy of extracts of brain and muscle tissue from the same rats. The comparison provided estimates of the7Li NMR visibility of the Li cation in each tissue region. Although there was considerable scatter of the calculated visibilities among the five rats studied, the results suggested essentially full visibility (96%) for Li in muscle, and somewhat reduced visibility (74-93%) in the various brain regions.

  10. Spatial Mapping of Flow-Induced Molecular Alignment in a Noncrystalline Biopolymer Fluid Using Double Quantum Filtered (DQF) (23)Na MRI.

    PubMed

    Pavlovskaya, Galina E; Meersmann, Thomas

    2014-08-07

    Flow-induced molecular alignment was observed experimentally in a non-liquid-crystalline bioplymeric fluid during developed tubular flow. The fluid was comprised of rigid rods of the polysaccharide xanthan and exhibited shear-thinning behavior. Without a requirement for optical transparency or the need for an added tracer, (23)Na magic angle (MA) double quantum filtered (DQF) magnetic resonance imaging (MRI) enabled the mapping of the anisotropic molecular arrangement under flow conditions. A regional net molecular alignment was found in areas of high shear values in the vicinity of the tube wall. Furthermore, the xanthan molecules resumed random orientations after the cessation of flow. The observed flow-induced molecular alignment was correlated with the rheological properties of the fluid. The work demonstrates the ability of (23)Na MA DQF magnetic resonance to provide a valuable molecular-mechanical link.

  11. Proton and fluorine NMR imaging for the assessment of myocardial perfusion

    SciTech Connect

    Horner, B.S.D.

    1985-01-01

    A high field, small bore NMR spectrometer was converted to an imaging system for the detection of fluorine and protons in phantoms and small biological samples. The modified spectrometer system was used to image various phantoms for the assessment of imaging performance. After assessment of the imaging system performance, a water soluble fluorinated compound of relatively low toxicity was investigated for use as an imaging agent for the detection of myocardial perfusion. New Zealand white rabbits were used as the model. Hearts were rapidly extracted and hung via the aorta to a perfusion apparatus which was capable of prolonging heart function throughout the course of the experiment. Perfusion with a standard nutrient solution was followed either by perfusion with a solution to which the fluorinated compound had been added or by ligation of the left coronary artery with subsequent perfusion with the fluorinated compound in perfusate solution. The hearts were then sectioned and imaged. The ligation of the left coronary artery produced a region of impaired perfusion in the left ventricular wall and parts of the septum. The regions of reduced perfusion appeared in the F-19 NMR images as areas of reduced intensity. Proton images of the tissue sections were also obtained for comparison. It was found that infarcted regions may be best visualized by combining the fluorine and proton images. Infarct damage was verified by Gentian violet stain. Relaxation times of fluorine and protons were measured both in perfused tissue and in various concentration solutions.

  12. In vivo quantitative NMR imaging of fruit tissues during growth using Spoiled Gradient Echo sequence.

    PubMed

    Kenouche, S; Perrier, M; Bertin, N; Larionova, J; Ayadi, A; Zanca, M; Long, J; Bezzi, N; Stein, P C; Guari, Y; Cieslak, M; Godin, C; Goze-Bac, C

    2014-12-01

    Nondestructive studies of physiological processes in agronomic products require increasingly higher spatial and temporal resolutions. Nuclear Magnetic Resonance (NMR) imaging is a non-invasive technique providing physiological and morphological information on biological tissues. The aim of this study was to design a robust and accurate quantitative measurement method based on NMR imaging combined with contrast agent (CA) for mapping and quantifying water transport in growing cherry tomato fruits. A multiple flip-angle Spoiled Gradient Echo (SGE) imaging sequence was used to evaluate the intrinsic parameters maps M0 and T1 of the fruit tissues. Water transport and paths flow were monitored using Gd(3+)/[Fe(CN)6](3-)/D-mannitol nanoparticles as a tracer. This dynamic study was carried out using a compartmental modeling. The CA was preferentially accumulated in the surrounding tissues of columella and in the seed envelopes. The total quantities and the average volume flow of water estimated are: 198 mg, 1.76 mm(3)/h for the columella and 326 mg, 2.91 mm(3)/h for the seed envelopes. We demonstrate in this paper that the NMR imaging technique coupled with efficient and biocompatible CA in physiological medium has the potential to become a major tool in plant physiology research. Copyright © 2014 Elsevier Inc. All rights reserved.

  13. PUPA: a pulse programming assistant for NMR imaging

    SciTech Connect

    Foxvog, D.; Li, X.; Vargas, J.E.; Bourne, J.R.; Sztipanovits, J.; Mushlin, R.; Harrison, C.G.

    1987-12-01

    The design of pulse programs for magnetic resonance imaging (MRI) experiments is tedious and complex, requiring a deep understanding of the interactions that exist between magnetic fields generated during an MRI experiment. This paper describes an intelligent system that understands how to construct the multichannel temporal sequences of pulses needed to control an MRI experiment. PUPA, the PUlse Programmers Assistant, provides assistance to a relatively naive user of MRI systems. Knowledge is coded in the form of rules and semantic networks. A natural language facility and menu system are provided for communication with the user.

  14. Improved nuclear magnetic resonance apparatus having semitoroidal rf coil for use in topical NMR and NMR imaging

    DOEpatents

    Fukushima, E.; Roeder, S.B.W.; Assink, R.A.; Gibson, A.A.V.

    1984-01-01

    An improved nuclear magnetic resonance (NMR) apparatus for use in topical magnetic resonance (TMR) spectroscopy and other remote sensing NMR applications includes a semitoroidal radio frequency (rf) coil. The semitoroidal rf coil produces an effective alternating magnetic field at a distance from the poles of the coil, so as to enable NMR measurements to be taken from selected regions inside an object, particularly including human and other living subjects. The semitoroidal rf coil is relatively insensitive to magnetic interference from metallic objects located behind the coil, thereby rendering the coil particularly suited for use in both conventional and superconducting NMR magnets. The semitoroidal NMR coil can be constructed so that it emits little or no excess rf electric field associated with the rf magnetic field, thus avoiding adverse effects due to dielectric heating of the sample or to any other interaction of the electric field with the sample.

  15. Ultracold Dipolar Gas of Fermionic 23Na 40K Molecules in Their Absolute Ground State

    NASA Astrophysics Data System (ADS)

    Park, Jee Woo; Will, Sebastian A.; Zwierlein, Martin W.

    2015-05-01

    We report on the creation of an ultracold dipolar gas of fermionic 23Na 40K molecules in their absolute rovibrational and hyperfine ground state. Starting from weakly bound Feshbach molecules, we demonstrate hyperfine resolved two-photon transfer into the singlet X 1Σ+ |v =0 ,J =0 ⟩ ground state, coherently bridging a binding energy difference of 0.65 eV via stimulated rapid adiabatic passage. The spin-polarized, nearly quantum degenerate molecular gas displays a lifetime longer than 2.5 s, highlighting NaK's stability against two-body chemical reactions. A homogeneous electric field is applied to induce a dipole moment of up to 0.8 D. With these advances, the exploration of many-body physics with strongly dipolar Fermi gases of 23Na 40K molecules is within experimental reach.

  16. Consistent Data Assimilation of Structural Isotopes: 23Na and 56Fe

    SciTech Connect

    Giuseppe Palmiotti

    2010-09-01

    A new approach is proposed, the consistent data assimilation, that allows to link the integral data experiment results to basic nuclear parameters employed by evaluators to generate ENDF/B point energy files in order to improve them. Practical examples are provided for the structural materials 23Na and 56Fe. The sodium neutron propagation experiments, EURACOS and JANUS-8, are used to improve via modifications of 23Na nuclear parameters (like scattering radius, resonance parameters, Optical model parameters, Statistical Hauser-Feshbach model parameters, and Preequilibrium Exciton model parameters) the agreement of calculation versus experiments for a series of measured reaction rate detectors slopes. For the 56Fe case the EURACOS and ZPR3 assembly 54 are used. Results have shown inconsistencies in the set of nuclear parameters used so that further investigation is needed. Future work involves comparison of results against a more traditional multigroup adjustments, and extension to other isotope of interest in the reactor community.

  17. 23Na (α,p )26Mg Reaction Rate at Astrophysically Relevant Energies

    NASA Astrophysics Data System (ADS)

    Howard, A. M.; Munch, M.; Fynbo, H. O. U.; Kirsebom, O. S.; Laursen, K. L.; Diget, C. Aa.; Hubbard, N. J.

    2015-07-01

    The production of 26Al in massive stars is sensitive to the 23Na (α,p )26Mg cross section. Recent experimental data suggest the currently recommended cross sections are underestimated by a factor of ˜40 . We present here differential cross sections for the 23Na (α,p )26Mg reaction measured in the energy range Ec .m .=1.7 - 2.5 MeV . Concurrent measurements of Rutherford scattering provide absolute normalizations that are independent of variations in target properties. Angular distributions are measured for both p0 and p1 permitting the determination of total cross sections. The results show no significant deviation from the statistical model calculations upon which the recommended rates are based. We therefore retain the previous recommendation without the increase in cross section and resulting stellar reaction rates by a factor of 40, impacting the 26Al yield from massive stars by more than a factor of 3.

  18. Ultracold Dipolar Gas of Fermionic 23Na40 K Molecules in Their Absolute Ground State.

    PubMed

    Park, Jee Woo; Will, Sebastian A; Zwierlein, Martin W

    2015-05-22

    We report on the creation of an ultracold dipolar gas of fermionic 23Na40 K molecules in their absolute rovibrational and hyperfine ground state. Starting from weakly bound Feshbach molecules, we demonstrate hyperfine resolved two-photon transfer into the singlet X 1Σ+|v=0,J=0⟩ ground state, coherently bridging a binding energy difference of 0.65 eV via stimulated rapid adiabatic passage. The spin-polarized, nearly quantum degenerate molecular gas displays a lifetime longer than 2.5 s, highlighting NaK's stability against two-body chemical reactions. A homogeneous electric field is applied to induce a dipole moment of up to 0.8 D. With these advances, the exploration of many-body physics with strongly dipolar Fermi gases of 23Na40K molecules is within experimental reach.

  19. Two-photon pathway to ultracold ground state molecules of 23Na40K

    NASA Astrophysics Data System (ADS)

    Park, Jee Woo; Will, Sebastian A.; Zwierlein, Martin W.

    2015-07-01

    We report on high-resolution spectroscopy of ultracold fermionic 23Na40K Feshbach molecules, and identify a two-photon pathway to the rovibrational singlet ground state via a resonantly mixed B1Π ˜ c3Σ+intermediate state. Photoassociation in a 23Na-40K atomic mixture and one-photon spectroscopy on 23Na40K Feshbach molecules reveal about 20 vibrational levels of the electronically excited c3Σ+state. Two of these levels are found to be strongly perturbed by nearby B1Π levels via spin-orbit coupling, resulting in additional lines of dominant singlet character in the perturbed complex {{{B}}}1\\Pi | v=4> ˜ {{{c}}}3{Σ }+| v=25> , or of resonantly mixed character in {{{B}}}1\\Pi | v=12> ˜ {{{c}}}3{Σ }+| v=35> . The dominantly singlet level is used to locate the absolute rovibrational singlet ground state {{{X}}}1{Σ }+| v=0,J=0> via Autler-Townes spectroscopy. We demonstrate coherent two-photon coupling via dark state spectroscopy between the predominantly triplet Feshbach molecular state and the singlet ground state. Its binding energy is measured to be 5212.0447(1) cm-1, a thousand-fold improvement in accuracy compared to previous determinations. In their absolute singlet ground state, 23Na40K molecules are chemically stable under binary collisions and possess a large electric dipole moment of 2.72 Debye. Our work thus paves the way towards the creation of strongly dipolar Fermi gases of NaK molecules.

  20. Three New Low-Energy Resonances in the ^{22}Ne(p,γ)^{23}Na Reaction.

    PubMed

    Cavanna, F; Depalo, R; Aliotta, M; Anders, M; Bemmerer, D; Best, A; Boeltzig, A; Broggini, C; Bruno, C G; Caciolli, A; Corvisiero, P; Davinson, T; di Leva, A; Elekes, Z; Ferraro, F; Formicola, A; Fülöp, Zs; Gervino, G; Guglielmetti, A; Gustavino, C; Gyürky, Gy; Imbriani, G; Junker, M; Menegazzo, R; Mossa, V; Pantaleo, F R; Prati, P; Scott, D A; Somorjai, E; Straniero, O; Strieder, F; Szücs, T; Takács, M P; Trezzi, D

    2015-12-18

    The ^{22}Ne(p,γ)^{23}Na reaction takes part in the neon-sodium cycle of hydrogen burning. This cycle affects the synthesis of the elements between ^{20}Ne and ^{27}Al in asymptotic giant branch stars and novae. The ^{22}Ne(p,γ)^{23}Na reaction rate is very uncertain because of a large number of unobserved resonances lying in the Gamow window. At proton energies below 400 keV, only upper limits exist in the literature for the resonance strengths. Previous reaction rate evaluations differ by large factors. In the present work, the first direct observations of the ^{22}Ne(p,γ)^{23}Na resonances at 156.2, 189.5, and 259.7 keV are reported. Their resonance strengths are derived with 2%-7% uncertainty. In addition, upper limits for three other resonances are greatly reduced. Data are taken using a windowless ^{22}Ne gas target and high-purity germanium detectors at the Laboratory for Underground Nuclear Astrophysics in the Gran Sasso laboratory of the National Institute for Nuclear Physics, Italy, taking advantage of the ultralow background observed deep underground. The new reaction rate is a factor of 20 higher than the recent evaluation at a temperature of 0.1 GK, relevant to nucleosynthesis in asymptotic giant branch stars.

  1. NMR imaging and spectroscopy of the mammalian central nervous system after heavy ion radiation

    SciTech Connect

    Richards, T.; Budinger, T.F.

    1988-01-01

    NMR imaging, NMR spectroscopy, and histopathologic techniques were used to study the proton relaxation time and related biochemical changes in the rodent brain after in vivo helium beam irradiation with single doses of 10, 20, 30, and 50 Gy. Two-dimensional Fourier transform spin-echo imaging and saturation recovery with projection reconstruction were used to measure the NMR relaxation parameters. These parameters were correlated with proton spectroscopy and histopathology. Additional high resolution in vitro proton spectroscopy was performed on brain extracts to observe chemical changes that could not be seen in vivo. The major findings from these experiments were that at 4-14 days postirradiation, image intensity and T1 relaxation time decreased on the irradiated side and increased on the nonirradiated side relative to nonirradiated control animals. In vivo surface coil proton spectroscopy methods demonstrated changes in lipid and phosphatidylcholine (p-choline) peaks. In vitro studies of the aqueous fraction of brain extracts showed radiation-induced changes in lactate, 4-aminobutyric acid, and p-choline peak areas. In the organic fraction, radiation-induced changes were observed in phosphatidylcholine, phosphatidylethanolamine, and phosphatidylserine. With histology and Evans blue injections, blood-brain barrier alterations were seen as early as 4 days after a dose of 50 Gy.

  2. NMR imaging and spectroscopy of the mammalian central nervous system after heavy ion radiation

    SciTech Connect

    Richards, T.

    1984-09-01

    NMR imaging, NMR spectroscopic, and histopathologic techniques were used to study the proton relaxation time and related biochemical changes in the central nervous system after helium beam in vivo irradiation of the rodent brain. The spectroscopic observations reported in this dissertation were made possible by development of methods for measuring the NMR parameters of the rodent brain in vivo and in vitro. The methods include (1) depth selective spectroscopy using an optimization of rf pulse energy based on a priori knowledge of N-acetyl aspartate and lipid spectra of the normal brain, (2) phase-encoded proton spectroscopy of the living rodent using a surface coil, and (3) dual aqueous and organic tissue extraction technique for spectroscopy. Radiation induced increases were observed in lipid and p-choline peaks of the proton spectrum, in vivo. Proton NMR spectroscopy measurements on brain extracts (aqueous and organic solvents) were made to observe chemical changes that could not be seen in vivo. Radiation-induced changes were observed in lactate, GABA, glutamate, and p-choline peak areas of the aqueous fraction spectra. In the organic fraction, decreases were observed in peak area ratios of the terminal-methyl peaks, the N-methyl groups of choline, and at a peak at 2.84 ppM (phosphatidyl ethanolamine and phosphatidyl serine resonances) relative to TMS. With histology and Evans blue injections, blood-brain barrier alternations were seen as early as 4 days after irradiation. 83 references, 53 figures.

  3. NMR 1D-imaging of water infiltration into mesoporous matrices.

    PubMed

    Le Feunteun, Steven; Diat, Olivier; Guillermo, Armel; Poulesquen, Arnaud; Podor, Renaud

    2011-04-01

    It is shown that coupling nuclear magnetic resonance (NMR) 1D-imaging with the measure of NMR relaxation times and self-diffusion coefficients can be a very powerful approach to investigate fluid infiltration into porous media. Such an experimental design was used to study the very slow seeping of pure water into hydrophobic materials. We consider here three model samples of nuclear waste conditioning matrices which consist in a dispersion of NaNO(3) (highly soluble) and/or BaSO(4) (poorly soluble) salt grains embedded in a bitumen matrix. Beyond studying the moisture progression according to the sample depth, we analyze the water NMR relaxation times and self-diffusion coefficients along its 1D-concentration profile to obtain spatially resolved information on the solution properties and on the porous structure at different scales. It is also shown that, when the relaxation or self-diffusion properties are multimodal, the 1D-profile of each water population is recovered. Three main levels of information were disclosed along the depth-profiles. They concern (i) the water uptake kinetics, (ii) the salinity and the molecular dynamics of the infiltrated solutions and (iii) the microstructure of the water-filled porosities: open networks coexisting with closed pores. All these findings were fully validated and enriched by NMR cryoporometry experiments and by performing environmental scanning electronic microscopy observations. Surprisingly, results clearly show that insoluble salts enhance the water progression and thereby increase the capability of the material to uptake water.

  4. New measurements of low-energy resonances in the 22Ne(p ,γ )23Na reaction

    NASA Astrophysics Data System (ADS)

    Kelly, K. J.; Champagne, A. E.; Downen, L. N.; Dermigny, J. R.; Hunt, S.; Iliadis, C.; Cooper, A. L.

    2017-01-01

    The 22Ne(p ,γ )23Na reaction is one of the most uncertain reactions in the NeNa cycle and plays a crucial role in the creation of 23Na, the only stable Na isotope. Uncertainties in the low-energy rates of this and other reactions in the NeNa cycle lead to ambiguities in the nucleosynthesis predicted from models of thermally pulsing asymptotic giant branch (AGB) stars. This in turn complicates the interpretation of anomalous Na-O trends in globular cluster evolutionary scenarios. Previous studies of the 22Ne(p ,γ )23Na , 22Ne(3He,d )23Na , and 12C(12C,p )23Na reactions disagree on the strengths, spins, and parities of low-energy resonances in 23Na and the direct-capture 22Ne(p ,γ )23Na reaction rate contains large uncertainties as well. In this work we present new measurements of resonances at Erc.m.=417 , 178, and 151 keV and of the direct-capture process in the 22Ne(p ,γ )23Na reaction. The resulting total 22Ne(p ,γ )23Na rate is approximately a factor of 20 higher than the rate listed in a recent compilation at temperatures relevant to hot-bottom burning in AGB stars. Although our rate is close to that derived from a recent 22Ne(p ,γ )23Na measurement by Cavanna et al. in 2015, we find that this large rate increase results in only a modest 18% increase in the 23Na abundance predicted from a 5 M⊙ thermally pulsing AGB star model from Ventura and D'Antona (2005). The estimated astrophysical impact of this rate increase is in marked contrast to the factor of ˜3 increase in 23Na abundance predicted by Cavanna et al. and is attributed to the interplay between the 23Na(p ,α )20Ne and 20Ne(p ,γ )21Na reactions, both of which remain fairly uncertain at the relevant temperature range.

  5. Neuronal Tracing with Magnetic Labels: NMR Imaging Methods, Preliminary Results, and New Optimized Coils.

    NASA Astrophysics Data System (ADS)

    Ghosh, Pratik

    1992-01-01

    The investigations focussed on in vivo NMR imaging studies of magnetic particles with and within neural cells. NMR imaging methods, both Fourier transform and projection reconstruction, were implemented and new protocols were developed to perform "Neuronal Tracing with Magnetic Labels" on small animal brains. Having performed the preliminary experiments with neuronal tracing, new optimized coils and experimental set-up were devised. A novel gradient coil technology along with new rf-coils were implemented, and optimized for future use with small animals in them. A new magnetic labelling procedure was developed that allowed labelling of billions of cells with ultra -small magnetite particles in a short time. The relationships among the viability of such cells, the amount of label and the contrast in the images were studied as quantitatively as possible. Intracerebral grafting of magnetite labelled fetal rat brain cells made it possible for the first time to attempt monitoring in vivo the survival, differentiation, and possible migration of both host and grafted cells in the host rat brain. This constituted the early steps toward future experiments that may lead to the monitoring of human brain grafts of fetal brain cells. Preliminary experiments with direct injection of horse radish peroxidase-conjugated magnetite particles into neurons, followed by NMR imaging, revealed a possible non-invasive alternative, allowing serial study of the dynamic transport pattern of tracers in single living animals. New gradient coils were built by using parallel solid-conductor ribbon cables that could be wrapped easily and quickly. Rapid rise times provided by these coils allowed implementation of fast imaging methods. Optimized rf-coil circuit development made it possible to understand better the sample-coil properties and the associated trade -offs in cases of small but conducting samples.

  6. Study of pharmaceutical coatings by means of NMR cryoporometry and SEM image analysis.

    PubMed

    Boissier, Catherine; Feidt, François; Nordstierna, Lars

    2012-07-01

    Nuclear magnetic resonance (NMR) cryoporometry and scanning electron microscopy (SEM) image analysis have been used to investigate the size and shape distribution of pores in pharmaceutical coatings. The coatings were made from a mixture of hydroxypropylcellulose (HPC) and ethylcellulose (EC). Upon solvent evaporation from a solution consisting of both the polymers, a solid polymer film is formed, which after removal of the water-soluble HPC consists of a skeleton of EC. A change in the amount of HPC enables modification of the water permeability through the films. By means of NMR cryoporometry, the presence of small pores (radius below 400 nm) was revealed with no significant change in the pore size distribution (PSD) as the HPC content in the films were changed. NMR cryoporometry showed the presence of channels of a characteristic 30-nm length scale in the films that contained more than 22% HPC. Below this threshold, the lack of interconnecting channels seems to prevent complete HPC dissolution and thereby the water permeability. SEM image analysis showed pore sizes that ranged from hundreds of nanometers up to few micrometers. Above the 22% threshold, further increase of HPC in the films resulted in an increased pore volume and wider PSD.

  7. Geometric Hall Effect of ^{23}Na Condensate in a Time- and Space-Dependent Magnetic Field

    NASA Astrophysics Data System (ADS)

    Zheng, Gong-Ping; Yang, Ling-Ling; Chang, Gao-Zhan; Wu, Zhe

    2016-04-01

    We simulate numerically the dynamics of ^{23}Na condensate in a time- and space-dependent magnetic field with a variational approach. It is shown to be an efficient method to describe the complex dynamics of the system, which may excite the breather mode, the scissor mode, and the dipole mode simultaneously. Our results agree with the experimental observations of Choi et al. (Phys Rev Lett 111:245301, 2013). We reproduce qualitatively the geometric Hall effect and resonance behavior. We also find that the condensate shows a scissor-mode-like motion, which may play the shearing force to deform the condensate and consequently leads to the dynamical nucleation of quantized vortices.

  8. Biological effects and physical safety aspects of NMR imaging and in vivo spectroscopy

    SciTech Connect

    Tenforde, T.S.; Budinger, T.F.

    1985-08-01

    An assessment is made of the biological effects and physical hazards of static and time-varying fields associated with the NMR devices that are being used for clinical imaging and in vivo spectroscopy. A summary is given of the current state of knowledge concerning the mechanisms of interaction and the bioeffects of these fields. Additional topics that are discussed include: (1) physical effects on pacemakers and metallic implants such as aneurysm clips, (2) human health studies related to the effects of exposure to nonionizing electromagnetic radiation, and (3) extant guidelines for limiting exposure of patients and medical personnel to the fields produced by NMR devices. On the basis of information available at the present time, it is concluded that the fields associated with the current generation of NMR devices do not pose a significant health risk in themselves. However, rigorous guidelines must be followed to avoid the physical interaction of these fields with metallic implants and medical electronic devices. 476 refs., 5 figs., 2 tabs.

  9. Investigating the Dissolution Performance of Amorphous Solid Dispersions Using Magnetic Resonance Imaging and Proton NMR.

    PubMed

    Tres, Francesco; Coombes, Steven R; Phillips, Andrew R; Hughes, Leslie P; Wren, Stephen A C; Aylott, Jonathan W; Burley, Jonathan C

    2015-09-10

    We have investigated the dissolution performance of amorphous solid dispersions of poorly water-soluble bicalutamide in a Kollidon VA64 polymeric matrix as a function of the drug loading (5% vs. 30% bicalutamide). A combined suite of state-of-the-art analytical techniques were employed to obtain a clear picture of the drug release, including an integrated magnetic resonance imaging UV-Vis flow cell system and 1H-NMR. Off-line 1H-NMR was used for the first time to simultaneously measure the dissolution profiles and rates of both the drug and the polymer from a solid dispersion. MRI and 1H-NMR data showed that the 5% drug loading compact erodes linearly, and that bicalutamide and Kollidon VA64 are released at approximately the same rate from the molecular dispersion. For the 30% extrudate, data indicated a slower water ingress into the compact which corresponds to a slower dissolution rate of both bicalutamide and Kollidon VA64.

  10. (7)Li in situ 1D NMR imaging of a lithium ion battery.

    PubMed

    Klamor, S; Zick, K; Oerther, T; Schappacher, F M; Winter, M; Brunklaus, G

    2015-02-14

    The spatial distribution of charge carriers in lithium ion batteries during current flow is of fundamental interest for a detailed understanding of transport properties and the development of strategies for future improvements of the electrolyte-electrode interface behaviour. In this work we explored the potential of (7)Li 1D in situ NMR imaging for the identification of concentration gradients under constant current load in a battery cell. An electrochemical cell based on PTFE body and a stack of glass microfiber discs that are soaked with a technically relevant electrolyte suitable for high-temperature application and squeezed between a Li metal and a nano-Si-graphite composite electrode was assembled to acquire (7)Li 1D in situ NMR profiles with an improved NMR pulse sequence as function of time and state of charge, thereby visualizing the course of ion concentration during charge and discharge. Surface localized changes of Li concentration were attributed to processes such as solid electrolyte interphase formation or full lithiation of the composite electrode. The method allows the extraction of lithium ion transport properties.

  11. Comprehensive longitudinal characterization of canine muscular dystrophy by serial NMR imaging of GRMD dogs.

    PubMed

    Thibaud, J-L; Azzabou, N; Barthelemy, I; Fleury, S; Cabrol, L; Blot, S; Carlier, P G

    2012-10-01

    The Golden Retriever Muscular Dystrophy (GRMD) dog is the closest animal counterpart of Duchenne muscular dystrophy in humans and has, for this reason, increasingly been used in preclinical therapeutic trials for this disease. The aim of this study was to describe the abnormalities in canine dystrophic muscle non-invasively, quantitatively, thoroughly and serially by means of NMR imaging. Thoracic and pelvic limbs of five healthy and five GRMD dogs were imaged in a 3T NMR scanner at 2, 4, 6 and 9months of age. Standard and fat-saturated T(1)-, T(2)- and proton-density-weighted images were acquired. A measurement of T(1) and a two-hour kinetic study of muscle enhancement after gadolinium-chelate injection were also performed. Ten out of the 15 indices evaluated differed between healthy and GRMD dogs. The maximal relative enhancement after gadolinium injection and the proton-density-weighted/T(2)-weighted signal ratio were the most discriminating indices. Inter-muscle heterogeneity was found to vary significantly for most of the indices. The body of data that has been acquired here will help in designing and interpreting preclinical trials using dystrophin-deficient dogs.

  12. Three New Low-Energy Resonances in the 22Ne(p, γ )23Na Reaction

    NASA Astrophysics Data System (ADS)

    Cavanna, Francesca; Depalo, Rosanna

    The neon-sodium (NeNa) cycle drives the synthesis of the elements between 20Ne and 27Al, through a series of proton capture reactions that start from 20Ne, to end with sodium synthesis. This cycle is active in red giant stars (RGB), asymptotic giant branch stars (AGB), in novae as well as in type Ia supernovae. In order to reproduce the observed elemental abundances, the cross sections of the reactions involved in the nucleosynthesis process should be accurately known. The 22Ne(p, γ )23Na reaction rate was very uncertain because of a large number of unobserved resonances lying in the Gamow window. For proton energies below 400 keV, in the literature there were only upper limits for the resonance strengths. A new direct study of the 22Ne(p, γ )23Na reaction has been performed at the Laboratory for Underground Nuclear Astrophysics (LUNA) in Gran Sasso using a windowless gas target and two high-purity germanium detectors. Several resonances have been observed for the first time in a direct experiment.

  13. Direct measurement of the 22Ne(p,γ)23Na reaction cross section at LUNA

    NASA Astrophysics Data System (ADS)

    Ferraro, Federico; LUNA Collaboration

    2016-06-01

    The 22Ne(p, γ)23Na reaction takes part in the NeNa cycle of hydrogen burning, influencing the production of the elements between 20Ne and 27Al in red giant stars, asymptotic giant stars and classical novae. The 22Ne(p,γ)27Na reaction rate is very uncertain because of a large number of tentative resonances in the Gamow window, where only upper limits were quoted in literature. A direct measurement of the 22Ne(p, γ)23Na reaction cross section has been carried out at LUNA using a windowless differential-pumping gas target with two high- purity germanium (HPGe) detectors. A new measurement with a 4π bismuth germanate (BGO) summing detector is ongoing. During the HPGe phase of the experiment the strengths of the resonances at 156.2 keV, 189.5 keV and 259.7 keV have been directly measured for the first time and their contribution to the reaction rate has been calculated. The decay scheme of the newly discovered resonances has been established as well and some improved upper limits on the unobserved resonances have been put. The BGO detector with its 70% γ-detection efficiency allows to measure the cross section at lower energy. In order to further investigate the resonances at 71 keV and 105 keV and the direct-capture component, the data taking is ongoing.

  14. Double tuned 23Na 1H nuclear magnetic resonance birdcage for application on mice in vivo

    NASA Astrophysics Data System (ADS)

    Lanz, Titus; Ruff, Jan; Weisser, Alexander; Haase, Axel

    2001-05-01

    The design and the characterization of a double tuned nuclear magnetic birdcage resonator is presented. It abandons quadrature drive and uses the two orthogonal modes of the birdcage for two different frequencies. In order to tune the birdcage to frequencies that are far apart, the number of legs is reduced to only four. This limits the homogeneity of the rf field, but enables the birdcage to be tuned to very different frequencies without further B1 field distortions. Following a brief explanation of the theory of the coil design, a 23Na 1H four leg birdcage for in vivo measurements on mice is presented. The performance of the coil is demonstrated in experiments on both a phantom and a mouse.

  15. In vivo observation of tree drought response with low-field NMR and neutron imaging

    SciTech Connect

    Malone, Michael W.; Yoder, Jacob; Hunter, James F.; Espy, Michelle A.; Dickman, Lee T.; Nelson, Ron O.; Vogel, Sven C.; Sandin, Henrik J.; Sevanto, Sanna

    2016-05-06

    Using a simple low-field NMR system, we monitored water content in a living tree in a greenhouse over 2 months. By continuously running the system, we observed changes in tree water content on a scale of half an hour. The data showed a diurnal change in water content consistent both with previous NMR and biological observations. Neutron imaging experiments show that our NMR signal is primarily due to water being rapidly transported through the plant, and not to other sources of hydrogen, such as water in cytoplasm, or water in cell walls. After accounting for the role of temperature in the observed NMR signal, we demonstrate a change in the diurnal signal behavior due to simulated drought conditions for the tree. Lastly, these results illustrate the utility of our system to perform noninvasive measurements of tree water content outside of a temperature controlled environment.

  16. Solid-state C-13 and H-1 NMR imaging stdies of the accelerated-sulfur cured high vinyl polybutadiene. [NMR (nuclear magnetic resonance)

    SciTech Connect

    Rana, M.A.

    1993-01-01

    Solid-state [sup 13]C NMR and [sup 1]H Imaging methods have been used to follow the progress of accelerated-sulfur vulcanization of unfilled high vinyl polybutadiene. Different NMR pulse sequences have been used to characterize the micro-network structures present in the bulk of the finally cured rubber samples. These studies were made as a function of formulation and processing variables. The time-resolved, integrated rubber network. Mono-sulfidic as well as the residual accelerator fragments were differentiated from the polysulfidic crosslinks in a finally cured material. Dynamic studies of these network structures were made using spin-spin relaxation (T[sub 2c]) measurements. The activation energies calculated based on T[sub 2] were used to verify different carbons, directly attached to the sulfur atoms. A swelling method based on Flory-Rehner's equation was also used to determine the crosslink densities and the number-average molecular weight between the nodal junctions in different formulations. Different spatially resolved structural features have been detected in the swollen samples using NMR imaging method. The voids, no-voids and other impurities were differentiated on the basis of magnetic susceptibility differences. Cyclohexane was used as a swelling solvent to probe the morphological defects in these materials. The T[sub 2]-weighted images were used to evaluate the crosslink densities in different samples. The quantitative estimations based on histogram was also employed to determine the average volume per crosslink region. The contrast based on H-1 spin-density or mobility was highlighted in T[sub 2]-weighted images. The variations were found to be closely related to variation in both concentration and mobility of the network.

  17. Imaging quantum confinement with optical and POWER (perturbations observed with enhanced resolution) NMR

    PubMed Central

    Kempf, James G.; Miller, Michael A.; Weitekamp, Daniel P.

    2008-01-01

    The nanoscale distributions of electron density and electric fields in GaAs semiconductor devices are displayed with NMR experiments. The spectra are sensitive to the changes to the nuclear-spin Hamiltonian that are induced by perturbations delivered in synchrony with a line-narrowing pulse sequence. This POWER (perturbations observed with enhanced resolution) method enhanced resolution up to 103-fold, revealing the distribution of perturbations over nuclear sites. Combining this method with optical NMR, we imaged quantum-confined electron density in an individual AlGaAs/GaAs heterojunction via hyperfine shifts. Fits to the coherent evolution and relaxation of nuclei within a hydrogenic state established one-to-one correspondence of radial position to frequency. Further experiments displayed the distribution of photo-induced electric field within the same states via a quadrupolar Stark effect. These unprecedented high-resolution distributions discriminate between competing models for the luminescence and support an excitonic state, perturbed by the interface, as the dominant source of the magnetically modulated luminescence. PMID:19104070

  18. Point sensitive NMR imaging system using a magnetic field configuration with a spatial minimum

    DOEpatents

    Eberhard, P.H.

    A point-sensitive NMR imaging system in which a main solenoid coil produces a relatively strong and substantially uniform magnetic field and a pair of perturbing coils powered by current in the same direction superimposes a pair of relatively weak perturbing fields on the main field to produce a resultant point of minimum field strength at a desired location in a direction along the Z-axis. Two other pairs of perturbing coils superimpose relatively weak field gradients on the main field in directions along the X- and Y-axes to locate the minimum field point at a desired location in a plane normal to the Z-axes. An rf generator irradiates a tissue specimen in the field with radio frequency energy so that desired nuclei in a small volume at the point of minimum field strength will resonate.

  19. Point sensitive NMR imaging system using a magnetic field configuration with a spatial minimum

    DOEpatents

    Eberhard, Philippe H.

    1985-01-01

    A point-sensitive NMR imaging system (10) in which a main solenoid coil (11) produces a relatively strong and substantially uniform magnetic field and a pair of perturbing coils (PZ1 and PZ2) powered by current in the same direction superimposes a pair of relatively weak perturbing fields on the main field to produce a resultant point of minimum field strength at a desired location in a direction along the Z-axis. Two other pairs of perturbing coils (PX1, PX2; PY1, PY2) superimpose relatively weak field gradients on the main field in directions along the X- and Y-axes to locate the minimum field point at a desired location in a plane normal to the Z-axes. An RF generator (22) irradiates a tissue specimen in the field with radio frequency energy so that desired nuclei in a small volume at the point of minimum field strength will resonate.

  20. Quantitative determination of porosity: a local assessment by NMR imaging techniques.

    PubMed

    Borgia, G C; Bortolotti, V; Dattilo, P; Fantazzini, P; Maddinelli, G

    1996-01-01

    The local determination of porosity is an extremely valuable target because of different applications in petrophysics. In fact, obtaining a reliable profile of porosity or saturations could considerably improve the evaluation of transport properties of porous media, especially if applied to multiphase flow test (i.e., for relative permeability characterisation). However, the best procedure to adopt for these kind of studies is currently under debate, involving different experimental choices both for acquisition and hardware solutions. The choice of a reliable procedure could be particularly important especially if heterogeneous samples (i.e., vugular or fractured carbonates) are approached. We have investigated selected carbonate cores, characterised by fractures and large vugs, using different instrumental solutions in order to assess usefulness of application of NMR imaging methods as a porosity measurement tool for heterogeneous samples. Local porosity data have been obtained and discussed relative to conventional measurements and petrographical aspects of rock samples.

  1. NMR imaging of nonaqueous-phase liquid dissolution in a porous medium

    SciTech Connect

    Baldwin, C.A.; Gladden, L.F.

    1996-05-01

    It is demonstrated how NMR imaging can be used noninvasively to quantify the volume of nonaqueous phase liquid (NAPL) present in an otherwise water-saturated porous medium. Data were recorded during the operation of a pump and treat (PT) remediation scheme on a bed of water-saturated sand contained within a vertical column. The model contaminant used was n-hexanol, and three different aqueous flow rates were employed. These data were then critically compared with the predictions of three models currently used to describe the dissolution of NAPL during a PT scheme: the linear mass-transfer model, the pore-diffusion model, and the shrinking-core model. The pore-diffusion model gave best agreement with the experimental data. However, none of the models predicted the observed dependence of mass transfer on Darcy velocity.

  2. NMR imaging and hydrodynamic analysis of neutrally buoyant non-Newtonian slurry flows

    SciTech Connect

    Bouillard, J.X.; Sinton, S.W.

    1995-02-01

    The flow of solids loaded suspension in cylindrical pipes has been the object of intense experimental and theoretical investigations in recent years. These types of flows are of great interest in chemical engineering because of their important use in many industrial manufacturing processes. Such flows are for example encountered in the manufacture of solid-rocket propellants, advanced ceramics, reinforced polymer composites, in heterogenous catalytic reactors, and in the pipeline transport of liquid-solids suspensions. In most cases, the suspension microstructure and the degree of solids dispersion greatly affect the final performance of the manufactured product. For example, solid propellant pellets need to be extremely-well dispersed in gel matrices for use as rocket engine solid fuels. The homogeneity of pellet dispersion is critical to allow good uniformity of the burn rate, which in turn affects the final mechanical performance of the engine. Today`s manufacturing of such fuels uses continuous flow processes rather than batch processes. Unfortunately, the hydrodynamics of such flow processes is poorly understood and is difficult to assess because it requires the simultaneous measurements of liquid/solids phase velocities and volume fractions. Due to the recent development in pulsed Fourier Transform NMR imaging, NMR imaging is now becoming a powerful technique for the non intrusive investigation of multi-phase flows. This paper reports and exposes a state-of-the-art experimental and theoretical methodology that can be used to study such flows. The hydrodynamic model developed for this study is a two-phase flow shear thinning model with standard constitutive fluid/solids interphase drag and solids compaction stresses. this model shows good agreement with experimental data and the limitations of this model are discussed.

  3. Cryptate 13C and 23Na nuclear magnetic relaxation as a probe of counterion dynamics in aqueous polyacrylate solutions

    NASA Astrophysics Data System (ADS)

    Van Der Maarel, J. R. C.; Van Duijn, D.; De Bleijser, J.; Leyte, J. C.

    1987-03-01

    In a series of fully alkali neutralized polyacrylate solutions the counterions are included by a macrobicyclic ligand (cryptand) to form a well-defined coordination shell. Vapor pressure experiments show the polyacrylate-cryptate system to behave osmotically as an ordinary polyelectrolyte solution. Cryptate 13C and 23Na relaxation show that the influence of polyions on the counter-ion reorientational mobility is moderate. The main 23Na relaxation mechanism is found to be the fluctuating electric field gradient caused by the surrounding ligand.

  4. Direct measurement of low-energy 22Ne(p ,γ )23Na resonances

    NASA Astrophysics Data System (ADS)

    Depalo, R.; Cavanna, F.; Aliotta, M.; Anders, M.; Bemmerer, D.; Best, A.; Boeltzig, A.; Broggini, C.; Bruno, C. G.; Caciolli, A.; Ciani, G. F.; Corvisiero, P.; Davinson, T.; Di Leva, A.; Elekes, Z.; Ferraro, F.; Formicola, A.; Fülöp, Zs.; Gervino, G.; Guglielmetti, A.; Gustavino, C.; Gyürky, Gy.; Imbriani, G.; Junker, M.; Menegazzo, R.; Mossa, V.; Pantaleo, F. R.; Piatti, D.; Prati, P.; Straniero, O.; Szücs, T.; Takács, M. P.; Trezzi, D.; LUNA Collaboration

    2016-11-01

    Background: The 22Ne(p ,γ )23Na reaction is the most uncertain process in the neon-sodium cycle of hydrogen burning. At temperatures relevant for nucleosynthesis in asymptotic giant branch stars and classical novae, its uncertainty is mainly due to a large number of predicted but hitherto unobserved resonances at low energy. Purpose: A new direct study of low-energy 22Ne(p ,γ )23Na resonances has been performed at the Laboratory for Underground Nuclear Astrophysics (LUNA), in the Gran Sasso National Laboratory, Italy. Method: The proton capture on 22Ne was investigated in direct kinematics, delivering an intense proton beam to a 22Ne gas target. γ rays were detected with two high-purity germanium detectors enclosed in a copper and lead shield suppressing environmental radioactivity. Results: Three resonances at 156.2 keV [ω γ =(1.48 ±0.10 ) ×10-7 eV], 189.5 keV [ω γ =(1.87 ±0.06 ) ×10-6 eV] and 259.7 keV [ω γ =(6.89 ±0.16 ) ×10-6 eV] proton beam energy, respectively, have been observed for the first time. For the levels at Ex=8943.5 , 8975.3, and 9042.4 keV excitation energy corresponding to the new resonances, the γ -decay branching ratios have been precisely measured. Three additional, tentative resonances at 71, 105, and 215 keV proton beam energy, respectively, were not observed here. For the strengths of these resonances, experimental upper limits have been derived that are significantly more stringent than the upper limits reported in the literature. Conclusions: Based on the present experimental data and also previous literature data, an updated thermonuclear reaction rate is provided in tabular and parametric form. The new reaction rate is significantly higher than previous evaluations at temperatures of 0.08-0.3 GK.

  5. Triple-quantum filtered NMR imaging of sodium in the human brain

    SciTech Connect

    Keltner, John Robinson

    1993-04-01

    In the past multiple-quantum filtered imaging of biexponential relaxation sodium-23 nuclei in the human brain has been limited by low signal to noise ratios; this thesis demonstrates that such imaging is feasible when using a modified gradient-selected triple-quantum filter at a repetition time which maximizes the signal to noise ratio. Nuclear magnetic resonance imaging of biexponential relaxation sodium-23 (23Na) nuclei in the human brain may be useful for detecting ischemia, cancer, and pathophysiology related to manic-depression. Conventional single-quantum NMR imaging of in vivo biexponential relaxation 23Na signals is complicated by the presence of single-exponential relaxation 23Na signals. Multiple-quantum filters may be used to selectively image biexponential relaxation 23Na signals since these filters suppress single-exponential relaxation 23Na signals. In this thesis, the typical repetition times (200--300 ms) used for in vivo multiple-quantum filtered 23Na experiments are shown to be approximately 5 times greater than the optimal repetition time which maximizes multiple-quantum filtered SNR. Calculations and experimental verification show that the gradient-selected triple-quantum (GS3Q) filtered SNR for 23Na in a 4% agarose gel increases by a factor of two as the repetition time decreases from 300 ms to 55 ms. The measured relaxation times of the 23Na in the 4% agarose gel were similar to in vivo 23Na relaxation times.

  6. Drug-specific [sup 19]F NMR and dynamic [sup 18]F PET imaging of the cytostatic agent 5-fluorouracil

    SciTech Connect

    Bellemann, M.E.; Brix, G.; Haberkorn, U.; Ostertag, H.J.; Lorenz, W.J. )

    1994-12-01

    The spatial distribution of the antineoplastic agent 5-fluorouracil (5-FU) has been mapped both with [sup 19]F NMR and [sup 18]F PET imaging techniques. For [sup 19]F NMR imaging of 5-FU and its major catabolite [alpha]-fluoro-[beta]-alanine (FBAL), a fast gradient-echo pulse sequence was employed. A chemical-shift selective saturation pulse was used to suppress either the 5-FU or the FBAL resonance before the other component of the [sup 19]F NMR spectrum was images. This approach yielded selective 5-FU and FBAL NMR images free of chemical-shift artifacts in readout and slice-selection direction. In phantom experiments, [sup 19]F 5-FU and FBAL images with a spatial resolution of 12.5 x 12.5 x 20 mm[sup 3] were obtained in 32 min from model solutions with drug and catabolite concentrations similar to those estimated in animals and patients undergoing i.v. chemotherapy with 5-FU. The biodistribution of 5-[[sup 18]F]FU in rats shortly after administration of the drug demonstrated the good vascularization of the transplanted tumors. The metabolic turnover of the cytostatic agent started about 10--20 min p.i. and was predominant in the tumor and liver tissue. The rapid adjustment of the [sup 18]F metabolite concentrations in the transplanted tumors to a steady state provides evidence of anabolic tumor activity, which supports the hypothesis of 5-FU trapping in malignant cells based on [sup 19]F NMR spectroscopy data. The high uptake of 5-[[sup 18]F]FU in the liver, on the other hand, mainly reflects the catabolization of 5-FU to the noncytotoxic FBAL, which leads to a reduced bioavailability of the drug.

  7. Measurement of (23)Na(n,2n) cross section in well-defined reactor spectra.

    PubMed

    Košťál, Michal; Švadlenková, Marie; Baroň, Petr; Milčák, Ján; Mareček, Martin; Uhlíř, Jan

    2016-05-01

    The present paper aims to compare the calculated and experimental reaction rates of (23)Na(n,2n)(22)Na in a well-defined reactor spectra of a special core assembled in the LR-0 reactor. The experimentally determined reaction rate, derived using gamma spectroscopy of irradiated NaF sample, is used for average cross section determination. The resulting value averaged in spectra is 0.91±0.02µb. This cross-section is important as it is included in International Reactor Dosimetry and Fusion File and is also relevant to the correct estimation of long-term activity of Na coolant in Sodium Fast Reactors. The calculations were performed with the MCNP6 code using ENDF/B-VII.0, JEFF-3.1, JEFF-3.2, JENDL-3.3, JENDL-4, ROSFOND-2010 and CENDL-3.1 nuclear data libraries. Generally the best C/E agreement, within 2%, was found using the ROSFOND-2010 data set, whereas the worst, as high as 40%, was found using the ENDF/B-VII.0.

  8. NMR imaging of fluid exchange between macropores and matrix in eogenetic karst.

    PubMed

    Florea, Lee J; Cunningham, Kevin J; Altobelli, Stephen

    2009-01-01

    Sequential time-step images acquired using nuclear magnetic resonance (NMR) show the displacement of deuterated water (D(2)O) by fresh water within two limestone samples characterized by a porous and permeable limestone matrix of peloids and ooids. These samples were selected because they have a macropore system representative of some parts of the eogenetic karst limestone of the Biscayne Aquifer in southeastern Florida. The macroporosity, created by the trace fossil Ophiomorpha, is principally well connected and of centimeter scale. These macropores occur in broadly continuous stratiform zones that create preferential flow layers within the hydrogeologic units of the Biscayne. This arrangement of porosity is important because in coastal areas, it could produce a preferential pathway for salt water intrusion. Two experiments were conducted in which samples saturated with D(2)O were placed in acrylic chambers filled with fresh water and examined with NMR. Results reveal a substantial flux of fresh water into the matrix porosity with a simultaneous loss of D(2)O. Specifically, we measured rates upward of 0.001 mL/h/g of sample in static conditions, and perhaps as great as 0.07 mL/h/g of sample when fresh water continuously flows past a sample at velocities less than those found within stressed areas of the Biscayne. These experiments illustrate how fresh water and D(2)O, with different chemical properties, migrate within one type of matrix porosity found in the Biscayne. Furthermore, these experiments are a comparative exercise in the displacement of sea water by fresh water in the matrix of a coastal, karst aquifer since D(2)O has a greater density than fresh water.

  9. NMR imaging of fluid exchange between macropores and matrix in eogenetic karst

    USGS Publications Warehouse

    Florea, L.J.; Cunningham, K.J.; Altobelli, S.

    2009-01-01

    Sequential time-step images acquired using nuclear magnetic resonance (NMR) show the displacement of deuterated water (D2O) by fresh water within two limestone samples characterized by a porous and permeable limestone matrix of peloids and ooids. These samples were selected because they have a macropore system representative of some parts of the eogenetic karst limestone of the Biscayne Aquifer in southeastern Florida. The macroporosity, created by the trace fossil Ophiomorpha, is principally well connected and of centimeter scale. These macropores occur in broadly continuous stratiform zones that create preferential flow layers within the hydrogeologic units of the Biscayne. This arrangement of porosity is important because in coastal areas, it could produce a preferential pathway for salt water intrusion. Two experiments were conducted in which samples saturated with D2O were placed in acrylic chambers filled with fresh water and examined with NMR. Results reveal a substantial flux of fresh water into the matrix porosity with a simultaneous loss of D 2O. Specifically, we measured rates upward of 0.001 mL/h/g of sample in static conditions, and perhaps as great as 0.07 mL/h/g of sample when fresh water continuously flows past a sample at velocities less than those found within stressed areas of the Biscayne. These experiments illustrate how fresh water and D2O, with different chemical properties, migrate within one type of matrix porosity found in the Biscayne. Furthermore, these experiments are a comparative exercise in the displacement of sea water by fresh water in the matrix of a coastal, karst aquifer since D2O has a greater density than fresh water. ?? 2008 National Ground Water Association.

  10. Measurement of regional cerebral blood flow in cat brain using intracarotid 2H2O and 2H NMR imaging

    SciTech Connect

    Detre, J.A.; Subramanian, V.H.; Mitchell, M.D.; Smith, D.S.; Kobayashi, A.; Zaman, A.; Leigh, J.S. Jr. )

    1990-05-01

    Cerebral blood flow (CBF) was measured in cat brain in vivo at 2.7 T using 2H NMR to monitor the washout of deuterated saline injected into both carotid arteries via the lingual arteries. In anesthetized cats, global CBF varied directly with PaCO{sub 2} over a range of 20-50 mm Hg, and the corresponding global CBF values ranged from 25 to 125 ml.100 g-1.min-1. Regional CBF was measured in a 1-cm axial section of cat brain using intracarotid deuterated saline and gradient-echo 2H NMR imaging. Blood flow images with a maximum pixel resolution of 0.3 x 0.3 x 1.0 cm were generated from the deuterium signal washout at each pixel. Image derived values for CBF agreed well with other determinations, and decreased significantly with hypocapnia.

  11. High resolution measurement of neutron inelastic scattering cross-sections for 23Na

    NASA Astrophysics Data System (ADS)

    Rouki, C.; Archier, P.; Borcea, C.; De Saint Jean, C.; Drohé, J. C.; Kopecky, S.; Moens, A.; Nankov, N.; Negret, A.; Noguère, G.; Plompen, A. J. M.; Stanoiu, M.

    2012-04-01

    The neutron inelastic scattering cross-section of 23Na has been measured in response to the relevant request of the OECD-NEA High Priority Request List, which requires a target uncertainty of 4% in the energy range up to 1.35 MeV for the development of sodium-cooled fast reactors. The measurement was performed at the GELINA facility with the Gamma Array for Inelastic Neutron Scattering (GAINS), featuring eight high purity germanium detectors. The setup is installed at a 200 m flight path from the neutron source and provides high resolution measurements using the (n,n'γ)-technique. The sample was an 80 mm diameter metallic sodium disk prepared at IRMM. Transitions up to the seventh excited state were observed and the differential gamma cross-sections at 110° and 150° were measured, showing mostly isotropic gamma emission. From these the gamma production, level and inelastic cross-sections were determined for neutron energies up to 3838.9 keV. The results agree well with the existing data and the evaluated nuclear data libraries in the low energies, and provide new experimental points in the little studied region above 2 MeV. Following a detailed review of the methodology used for the gamma efficiency calibrations and flux normalization of GAINS data, an estimated total uncertainty of 2.2% was achieved for the inelastic cross-section integrals over the energy ranges 0.498-1.35 MeV and 1.35-2.23 MeV, meeting the required targets.

  12. Sodium Visibility and Quantitation in Intact Bovine Articular Cartilage Using High Field 23Na MRI and MRS

    NASA Astrophysics Data System (ADS)

    Shapiro, Erik M.; Borthakur, Arijitt; Dandora, Rahul; Kriss, Antigone; Leigh, John S.; Reddy, Ravinder

    2000-01-01

    Noninvasive methods of detecting cartilage degeneration can have an impact on identifying the early stages of osteoarthritis. Accurate measurement of sodium concentrations within the cartilage matrix provides a means for analyzing tissue integrity. Here a method is described for quantitating sodium concentration and visibility in cartilage, with general applications to all tissue types. The sodium concentration in bovine patellar cartilage plugs was determined by three different methods: NMR spectroscopy of whole cartilage plugs, NMR spectroscopy of liquefied cartilage in concentrated HCl, and inductively coupled plasma emission spectroscopy. Whole bovine patellae were imaged with relaxation normalized calibration phantoms to ascertain sodium concentrations inside the articular cartilage. Sodium concentrations in intact articular cartilage were found to range from ∼200 mM on the edges to ∼390 mM in the center, with an average of ∼320 mM in five separate bovine patellae studied. In essence, we have created sodium distribution maps of the cartilage, showing for the first time, spatial variations of sodium concentration in intact cartilage. This average concentration measurement correlates very well with the values obtained from the spectroscopic methods. Furthermore, sodium was found to be 100% NMR visible in cartilage plugs. Applications of this method in diagnosing and monitoring treatment of osteoarthritis are discussed.

  13. Investigating the Locomotion of the Sandfish in Desert Sand Using NMR-Imaging

    PubMed Central

    Baumgartner, Werner; Fidler, Florian; Weth, Agnes; Habbecke, Martin; Jakob, Peter; Butenweg, Christoph; Böhme, Wolfgang

    2008-01-01

    The sandfish (Scincus scincus) is a lizard having the remarkable ability to move through desert sand for significant distances. It is well adapted to living in loose sand by virtue of a combination of morphological and behavioural specializations. We investigated the bodyform of the sandfish using 3D-laserscanning and explored its locomotion in loose desert sand using fast nuclear magnetic resonance (NMR) imaging. The sandfish exhibits an in-plane meandering motion with a frequency of about 3 Hz and an amplitude of about half its body length accompanied by swimming-like (or trotting) movements of its limbs. No torsion of the body was observed, a movement required for a digging-behaviour. Simple calculations based on the Janssen model for granular material related to our findings on bodyform and locomotor behaviour render a local decompaction of the sand surrounding the moving sandfish very likely. Thus the sand locally behaves as a viscous fluid and not as a solid material. In this fluidised sand the sandfish is able to “swim” using its limbs. PMID:18836551

  14. An advanced phantom study assessing the feasibility of neuronal current imaging by ultra-low-field NMR

    NASA Astrophysics Data System (ADS)

    Körber, Rainer; Nieminen, Jaakko O.; Höfner, Nora; Jazbinšek, Vojko; Scheer, Hans-Jürgen; Kim, Kiwoong; Burghoff, Martin

    2013-12-01

    In ultra-low-field (ULF) NMR/MRI, a common scheme is to magnetize the sample by a polarizing field of up to hundreds of mT, after which the NMR signal, precessing in a field on the order of several μT, is detected with superconducting quantum interference devices (SQUIDs). In our ULF-NMR system, we polarize with up to 50 mT and deploy a single-stage DC-SQUID current sensor with an integrated input coil which is connected to a wire-wound Nb gradiometer. We developed this system (white noise 0.50 fT/√{Hz}) for assessing the feasibility of imaging neuronal currents by detecting their effect on the ULF-NMR signal. Magnetoencephalography investigations of evoked brain activity showed neuronal dipole moments below 50 nAm. With our instrumentation, we have studied two different approaches for neuronal current imaging. In the so-called DC effect, long-lived neuronal activity shifts the Larmor frequency of the surrounding protons. An alternative strategy is to exploit fast neuronal activity as a tipping pulse. This so-called AC effect requires the proton Larmor frequency to match the frequency of the neuronal activity, which ranges from near-DC to ∼kHz. We emulated neuronal activity by means of a single dipolar source in a physical phantom, consisting of a hollow sphere filled with an aqueous solution of CuSO4 and NaCl. In these phantom studies, with physiologically relevant dipole depths, we determined resolution limits for our set-up for the AC and the DC effect of ∼10 μAm and ∼50 nAm, respectively. Hence, the DC effect appears to be detectable in vivo by current ULF-NMR technology.

  15. An advanced phantom study assessing the feasibility of neuronal current imaging by ultra-low-field NMR.

    PubMed

    Körber, Rainer; Nieminen, Jaakko O; Höfner, Nora; Jazbinšek, Vojko; Scheer, Hans-Jürgen; Kim, Kiwoong; Burghoff, Martin

    2013-12-01

    In ultra-low-field (ULF) NMR/MRI, a common scheme is to magnetize the sample by a polarizing field of up to hundreds of mT, after which the NMR signal, precessing in a field on the order of several μT, is detected with superconducting quantum interference devices (SQUIDs). In our ULF-NMR system, we polarize with up to 50mT and deploy a single-stage DC-SQUID current sensor with an integrated input coil which is connected to a wire-wound Nb gradiometer. We developed this system (white noise 0.50fT/√Hz) for assessing the feasibility of imaging neuronal currents by detecting their effect on the ULF-NMR signal. Magnetoencephalography investigations of evoked brain activity showed neuronal dipole moments below 50nAm. With our instrumentation, we have studied two different approaches for neuronal current imaging. In the so-called DC effect, long-lived neuronal activity shifts the Larmor frequency of the surrounding protons. An alternative strategy is to exploit fast neuronal activity as a tipping pulse. This so-called AC effect requires the proton Larmor frequency to match the frequency of the neuronal activity, which ranges from near-DC to ∼kHz. We emulated neuronal activity by means of a single dipolar source in a physical phantom, consisting of a hollow sphere filled with an aqueous solution of CuSO4 and NaCl. In these phantom studies, with physiologically relevant dipole depths, we determined resolution limits for our set-up for the AC and the DC effect of ∼10μAm and ∼50nAm, respectively. Hence, the DC effect appears to be detectable in vivo by current ULF-NMR technology.

  16. Exploring the {sup 22}Ne(p,γ){sup 23}Na reaction at LUNA and at HZDR

    SciTech Connect

    Cavanna, Francesca; Collaboration: LUNA Collaboration

    2014-05-09

    The {sup 22}Ne(p,γ){sup 23}Na reaction is involved in the hydrogen burning NeNa cycle. This determines the nucleosynthesis of the Ne and Na isotopes in the Red Giant Branch and Asymptotic Giant Branch phases of stellar evolution. In the energy range relevant for astrophysics (20 keV < E < 600 keV), the {sup 22}Ne(p,γ){sup 23}Na reaction rate is highly uncertain because of the contribution of a large number of resonances never measured directly. A related study is under preparation at the Laboratory for Underground Nuclear Astrophysics (LUNA), in the Gran Sasso National Laboratory, and it will cover the energy range 100 keV < E < 400 keV. Meanwhile, a measurement at higher energies (i.e. 436 keV) has been carried out at the Tandetron accelerator of the HZDR (Helmholtz Zentrum Dresden Rossendorf) in Germany. Some preliminary results will be presented.

  17. Discrimination of intra- and extracellular 23Na + signals in yeast cell suspensions using longitudinal magnetic resonance relaxography

    NASA Astrophysics Data System (ADS)

    Zhang, Yajie; Poirer-Quinot, Marie; Springer, Charles S.; Balschi, James A.

    2010-07-01

    This study tested the ability of MR relaxography (MRR) to discriminate intra- (Nai+) and extracellular (Nae+)23Na + signals using their longitudinal relaxation time constant ( T1) values. Na +-loaded yeast cell ( Saccharomyces cerevisiae) suspensions were investigated. Two types of compartmental 23Na +T1 differences were examined: a selective Nae+T1 decrease induced by an extracellular relaxation reagent (RR e), GdDOTP 5-; and, an intrinsic T1 difference. Parallel studies using the established method of 23Na MRS with an extracellular shift reagent (SR e), TmDOTP 5-, were used to validate the MRR measurements. With 12.8 mM RR e, the 23Nae+T1 was 2.4 ms and the 23Nai+T1 was 9.5 ms (9.4T, 24 °C). The Na + amounts and spontaneous efflux rate constants were found to be identical within experimental error whether measured by MRR/RR e or by MRS/SR e. Without RR e, the Na +-loaded yeast cell suspension 23Na MR signal exhibited two T1 values, 9.1 (±0.3) ms and 32.7 (±2.3) ms, assigned to 23Nai+ and 23Nae+, respectively. The Nai+ content measured was lower, 0.88 (±0.06); while Nae+ was higher, 1.43 (±0.12) compared with MRS/SR e measures on the same samples. However, the measured efflux rate constant was identical. T1 MRR potentially may be used for Nai+ determination in vivo and Na + flux measurements; with RR e for animal studies and without RR e for humans.

  18. Discrimination of Intra- and Extracellular 23Na+ Signals in Yeast Cell Suspensions Using Longitudinal Magnetic Resonance Relaxography

    PubMed Central

    Zhang, Yajie; Poirer-Quinot, Marie; Springer, Charles S.; Balschi, James A

    2010-01-01

    This study tested the ability of MR Relaxography (MRR) to discriminate intra- (Nai+) and extracellular (Nae+) 23Na+ signals using their longitudinal relaxation time constant (T1) values. Na+-loaded yeast cell (Saccharomyces cerevisiae) suspensions were investigated. Two types of compartmental 23Na+ T1 differences were examined: a selective Nae+ T1 decrease induced by an extracellular relaxation reagent (RRe), GdDOTP5−; and, an intrinsic T1 difference. Parallel studies using the established method of 23Na MRS with an extracellular shift reagent (SRe), TmDOTP5−, were used to validate the MRR measurements. With 12.8 mM RRe, the 23Nae+ T1 was 2.4 ms and the 23Nai+ T1 was 9.5 ms (9.4T, 24°C). The Na+ amounts and spontaneous efflux rate constants were found to be identical within experimental error whether measured by MRR/RRe or by MRS/SRe. Without RRe, the Na+-loaded yeast cell suspension 23Na MR signal exhibited two T1 values, 9.1 (± 0.3) ms and 32.7 (± 2.3) ms, assigned to 23Nai+ and 23Nae+, respectively. The Nai+ content measured was lower, 0.88 (± 0.06); while Nae+ was higher, 1.43 (± 0.12) compared with MRS/SRe measures on the same samples. However, the measured efflux rate constant was identical. T1 MRR potentially may be used for Nai+ determination in vivo and Na+ flux measurements; with RRe for animal studies and without RRe for humans. PMID:20430659

  19. Accurate Characterization of Ion Transport Properties in Binary Symmetric Electrolytes Using In Situ NMR Imaging and Inverse Modeling.

    PubMed

    Sethurajan, Athinthra Krishnaswamy; Krachkovskiy, Sergey A; Halalay, Ion C; Goward, Gillian R; Protas, Bartosz

    2015-09-17

    We used NMR imaging (MRI) combined with data analysis based on inverse modeling of the mass transport problem to determine ionic diffusion coefficients and transference numbers in electrolyte solutions of interest for Li-ion batteries. Sensitivity analyses have shown that accurate estimates of these parameters (as a function of concentration) are critical to the reliability of the predictions provided by models of porous electrodes. The inverse modeling (IM) solution was generated with an extension of the Planck-Nernst model for the transport of ionic species in electrolyte solutions. Concentration-dependent diffusion coefficients and transference numbers were derived using concentration profiles obtained from in situ (19)F MRI measurements. Material properties were reconstructed under minimal assumptions using methods of variational optimization to minimize the least-squares deviation between experimental and simulated concentration values with uncertainty of the reconstructions quantified using a Monte Carlo analysis. The diffusion coefficients obtained by pulsed field gradient NMR (PFG-NMR) fall within the 95% confidence bounds for the diffusion coefficient values obtained by the MRI+IM method. The MRI+IM method also yields the concentration dependence of the Li(+) transference number in agreement with trends obtained by electrochemical methods for similar systems and with predictions of theoretical models for concentrated electrolyte solutions, in marked contrast to the salt concentration dependence of transport numbers determined from PFG-NMR data.

  20. Beyond NMR Spectra of Antimicrobial Peptides: Dynamical Images at Atomic Resolution and Functional Insights

    PubMed Central

    Ramamoorthy, Ayyalusamy

    2009-01-01

    There is a considerable current interest in understanding the function of antimicrobial peptides for the development of potent novel antibiotic compounds with a very high selectivity. Since their interaction with the cell membrane is the major driving force for their function, solid-state NMR spectroscopy is the unique method of choice to study these insoluble, noncrystalline, membrane-peptide complexes. Here I discuss solid-state NMR studies of antimicrobial peptides that have reported high-resolution structure, dynamics, orientation, and oligomeric states of antimicrobial peptides in a membrane environment, and also address important questions about the mechanism of action at atomic-level resolution. Increasing number of solid-state NMR applications to antimicrobial peptides are expected in the near future, as these compounds are promising candidates to overcome ever-increasing antibiotic resistance problem and are well-suited for the development and applications of solid-state NMR techniques. PMID:19386477

  1. Quantitative measurement of regional blood flow with gadolinium diethylenetriaminepentaacetate bolus track NMR imaging in cerebral infarcts in rats: validation with the iodo[14C]antipyrine technique.

    PubMed Central

    Wittlich, F; Kohno, K; Mies, G; Norris, D G; Hoehn-Berlage, M

    1995-01-01

    NMR bolus track measurements were correlated with autoradiographically determined regional cerebral blood flow (rCBF). The NMR method is based on bolus infusion of the contrast agent gadolinium diethylenetriaminepentaacetate and high-speed T*2-sensitive NMR imaging. The first pass of the contrast agent through the image plane causes a transient decrease of the signal intensity. This time course of the signal intensity is transformed into relative concentrations of the contrast agent in each pixel. The mean transit time and relative blood flow and volume are calculated from such indicator dilution curves. We investigated whether this NMR technique correctly expresses the relative rCBF. The relative blood flow data, calculated from NMR bolus track experiments, and the absolute values of iodo[14C]antipyrine autoradiography were compared. A linear relationship was observed, indicating the proportionality of the transient NMR signal change with CBF. Excellent interindividual reproducibility of calibration constants is observed (r = 0.963). For a given NMR protocol, bolus track measurements calibrated with autoradiography after the experiment allow determination of absolute values for rCBF and regional blood volume. Images Fig. 2 Fig. 3 PMID:7892189

  2. NMR studies of cation transport across membranes

    SciTech Connect

    Shochet, N.R.

    1985-01-01

    /sup 23/Na NMR Studies of cation transport across membranes were conducted both on model and biological membranes. Two ionophores, the carrier monensin and the channel-former gramicidin, were chosen to induce cation transport in large unilamellar phosphatidylcholine vesicles. The distinction between the NMR signals arising from the two sides of the membrane was achieved by the addition of an anionic paramagnetic shift reagent to the outer solution. The kinetics of the cation transport across the membrane was observed simultaneously monitoring the changes in the /sup 23/Na NMR signals of both compartments. Two mathematical models were developed for the estimation of the transport parameters of the monensin- and gramicidin-induced cation transport. The models were able to fit the experimental data very well. A new method for the estimation of the volume trapped inside the vesicles was developed. The method uses the relative areas of the intra- and extravesicular NMR signals arising from a suspension of vesicles bathed in the same medium they contain, as a measure for the relative volumes of these compartments. Sodium transport across biological membranes was studied by /sup 23/ NMR, using suspensions of cultured nerve cells. The sodium influx through voltage-gated channels was studied using the channel modifier batrachotoxin in combination with scorpion toxin.

  3. DESI-MS imaging and NMR spectroscopy to investigate the influence of biodiesel in the structure of commercial rubbers.

    PubMed

    Silva, Lorena M A; Alves Filho, Elenilson G; Simpson, André J; Monteiro, Marcos R; Cabral, Elaine; Ifa, Demian; Venâncio, Tiago

    2017-10-01

    Biodiesel has been introduced as an energetic matrix in several countries around the world. However, the affinity of biodiesel with the components of petrodiesel engines is a growing concern. In order to obtain information regarding the effect of biodiesel on the rubber structure, nuclear magnetic resonance technics under a new technology named as comprehensive multiphase (CMP NMR) and the imaging through desorption electrospray ionization mass spectrometry (DESI-MS imaging) were used. The (1)H CMP-DOSY NMR showed the entrapped fuel into the rubber cavities, which the higher constraint caused by the rubber structure is related to the smaller diffusion coefficient. The less affected type of rubber by biodiesel was ethylene-propylene-diene monomer (EPDM), and the most affected was synthetic rubber nitrile (NBR). The (13)C CMP MAS-SPE experiments also confirmed that the internal region of EPDM was less accessible to the biodiesel molecules (no fuels detected) while other rubbers were more susceptible to the penetration of the fuel. DESI-MS imaging revealed for the first time the topography of the rubbers exposed to fuels. The biodiesel molecules entrapped at the EPDM and NBR pores were in oxidized form, which might degrade the rubber structure at long exposure time. The employed technics enabled the study of dynamic and molecular structure of the mixing complex multiphase. The DOSY under CMP used in this study could prove helpful in assessing the interactions throughout all physical phases (liquid, solid, and gel or semi-solid) by observing swellability caused by the fuel in the rubber. In addition, the DESI-MS was especially valuable to detect the degradation products of biodiesel entangled at the rubber structure. In our knowledge, this was the first report in which chemical changes of commercial rubbers induced by biodiesel and petrodiesel were investigated by means of DESI-MS and DOSY NMR. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Sodium 3D COncentration MApping (COMA 3D) Using 23Na and Proton MRI

    PubMed Central

    Truong, Milton L.; Harrington, Michael G.; Schepkin, Victor D.; Chekmenev, Eduard Y.

    2014-01-01

    Functional changes of sodium 3D MRI signals were converted into millimolar concentration changes using an open-source fully automated MATLAB toolbox. These concentration changes are visualized via 3D sodium concentration maps, and they are overlaid over conventional 3D proton images to provide high-resolution co-registration for easy correlation of functional changes to anatomical regions. Nearly 5000/hour concentration maps were generated on a personal computer (ca. 2012) using 21.1 T 3D sodium MRI brain images of live rats with spatial resolution of 0.8×0.8×0.8 mm3 and imaging matrices of 60×60×60. The produced concentration maps allowed for non-invasive quantitative measurement of in vivo sodium concentration in the normal rat brain as a functional response to migraine-like conditions. The presented work can also be applied to sodium-associated changes in migraine, cancer, and other metabolic abnormalities that can be sensed by molecular imaging. The MATLAB toolbox allows for automated image analysis of the 3D images acquired on the Bruker platform and can be extended to other imaging platforms. The resulting images are presented in a form of series of 2D slices in all three dimensions in native MATLAB and PDF formats. The following is provided: (a) MATLAB source code for image processing, (b) the detailed processing procedures, (c) description of the code and all sub-routines, (d) example data sets of initial and processed data. The toolbox can be downloaded at: http://www.vuiis.vanderbilt.edu/~truongm/COMA3D/ PMID:25261742

  5. Sodium 3D COncentration MApping (COMA 3D) using 23Na and proton MRI

    NASA Astrophysics Data System (ADS)

    Truong, Milton L.; Harrington, Michael G.; Schepkin, Victor D.; Chekmenev, Eduard Y.

    2014-10-01

    Functional changes of sodium 3D MRI signals were converted into millimolar concentration changes using an open-source fully automated MATLAB toolbox. These concentration changes are visualized via 3D sodium concentration maps, and they are overlaid over conventional 3D proton images to provide high-resolution co-registration for easy correlation of functional changes to anatomical regions. Nearly 5000/h concentration maps were generated on a personal computer (ca. 2012) using 21.1 T 3D sodium MRI brain images of live rats with spatial resolution of 0.8 × 0.8 × 0.8 mm3 and imaging matrices of 60 × 60 × 60. The produced concentration maps allowed for non-invasive quantitative measurement of in vivo sodium concentration in the normal rat brain as a functional response to migraine-like conditions. The presented work can also be applied to sodium-associated changes in migraine, cancer, and other metabolic abnormalities that can be sensed by molecular imaging. The MATLAB toolbox allows for automated image analysis of the 3D images acquired on the Bruker platform and can be extended to other imaging platforms. The resulting images are presented in a form of series of 2D slices in all three dimensions in native MATLAB and PDF formats. The following is provided: (a) MATLAB source code for image processing, (b) the detailed processing procedures, (c) description of the code and all sub-routines, (d) example data sets of initial and processed data. The toolbox can be downloaded at: http://www.vuiis.vanderbilt.edu/~truongm/COMA3D/.

  6. Use of NMR Imaging to Determine the Diffusion Coefficient of Water in Bio-based Hydrogels

    USDA-ARS?s Scientific Manuscript database

    The diffusion of liquid in a hydrogel material is a fundamental property which must be controlled in order to create effective delivery systems for the agricultural and pharmaceutical industries. NMR spectroscopy has been used to determine the diffusion of water and deuterium oxide in a bio-based h...

  7. Computational Diffusion Magnetic Resonance Imaging Based on Time-Dependent Bloch NMR Flow Equation and Bessel Functions.

    PubMed

    Awojoyogbe, Bamidele O; Dada, Michael O; Onwu, Samuel O; Ige, Taofeeq A; Akinwande, Ninuola I

    2016-04-01

    Magnetic resonance imaging (MRI) uses a powerful magnetic field along with radio waves and a computer to produce highly detailed "slice-by-slice" pictures of virtually all internal structures of matter. The results enable physicians to examine parts of the body in minute detail and identify diseases in ways that are not possible with other techniques. For example, MRI is one of the few imaging tools that can see through bones, making it an excellent tool for examining the brain and other soft tissues. Pulsed-field gradient experiments provide a straightforward means of obtaining information on the translational motion of nuclear spins. However, the interpretation of the data is complicated by the effects of restricting geometries as in the case of most cancerous tissues and the mathematical concept required to account for this becomes very difficult. Most diffusion magnetic resonance techniques are based on the Stejskal-Tanner formulation usually derived from the Bloch-Torrey partial differential equation by including additional terms to accommodate the diffusion effect. Despite the early success of this technique, it has been shown that it has important limitations, the most of which occurs when there is orientation heterogeneity of the fibers in the voxel of interest (VOI). Overcoming this difficulty requires the specification of diffusion coefficients as function of spatial coordinate(s) and such a phenomenon is an indication of non-uniform compartmental conditions which can be analyzed accurately by solving the time-dependent Bloch NMR flow equation analytically. In this study, a mathematical formulation of magnetic resonance flow sequence in restricted geometry is developed based on a general second order partial differential equation derived directly from the fundamental Bloch NMR flow equations. The NMR signal is obtained completely in terms of NMR experimental parameters. The process is described based on Bessel functions and properties that can make it

  8. 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.

    PubMed

    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.

  9. Measurement of 23Na(α,p)26Mg at Energies Relevant to 26Al Production in Massive Stars.

    PubMed

    Tomlinson, J R; Fallis, J; Laird, A M; Fox, S P; Akers, C; Alcorta, M; Bentley, M A; Christian, G; Davids, B; Davinson, T; Fulton, B R; Galinski, N; Rojas, A; Ruiz, C; de Séréville, N; Shen, M; Shotter, A C

    2015-07-31

    26Al is an important radioisotope in astrophysics that provides evidence of ongoing nucleosynthesis in the Galaxy. The 23Na(α, p)26Mg reaction has been identified by a sensitivity study as being one of the most important reactions for the production of 26Al in the convective C/Ne burning shell of massive stars. Owing to large uncertainties in previous experimental data, model calculations are used for the reaction rate of 23Na(α, p)26Mg in this sensitivity study. Current experimental data suggest a reaction rate a factor of ∼40 higher than model calculations. However, a new measurement of this reaction cross section has been made in inverse kinematics in the energy range E(c.m.)=1.28-3.15  MeV at TRIUMF, and found to be in reasonable agreement with the model calculation. A new reaction rate is calculated and tight constraints on the uncertainty in the production of 26Al, due to this reaction, are determined.

  10. Diagnostics of a charge breeder electron cyclotron resonance ion source helium plasma with the injection of 23Na1+ ions

    NASA Astrophysics Data System (ADS)

    Tarvainen, O.; Koivisto, H.; Galatà, A.; Angot, J.; Lamy, T.; Thuillier, T.; Delahaye, P.; Maunoury, L.; Mascali, D.; Neri, L.

    2016-05-01

    This work describes the utilization of an injected 23Na1+ ion beam as a diagnostics of the helium plasma of a charge breeder electron cyclotron resonance ion source. The obtained data allows estimating the upper limit for the ion-ion collision mean-free path of the incident sodium ions, the lower limit of ion-ion collision frequencies for all charge states of the sodium ions and the lower limit of the helium plasma density. The ion-ion collision frequencies of high charge state ions are shown to be at least on the order of 1-10 MHz and the plasma density is estimated to be on the order of 1011 cm-3 or higher. The experimental results are compared to simulations of the 23Na1+ capture into the helium plasma. The results indicate that the lower breeding efficiency of light ions in comparison to heavier elements is probably due to different capture efficiencies in which the in-flight ionization of the incident 1 + ions plays a vital role.

  11. Organ specific mapping of in vivo redox state in control and cigarette smoke-exposed mice using EPR/NMR co-imaging

    PubMed Central

    Caia, George L.; Efimova, Olga V.; Velayutham, Murugesan; El-Mahdy, Mohamed A.; Abdelghany, Tamer M.; Kesselring, Eric; Petryakov, Sergey; Sun, Ziqi; Samouilov, Alexandre; Zweier, Jay L.

    2014-01-01

    In vivo mapping of alterations in redox status is important for understanding organ specific pathology and disease. While electron paramagnetic resonance imaging (EPRI) enables spatial mapping of free radicals, it does not provide anatomic visualization of the body. Proton MRI is well suited to provide anatomical visualization. We applied EPR/NMR co-imaging instrumentation to map and monitor the redox state of living mice under normal or oxidative stress conditions induced by secondhand cigarette smoke (SHS) exposure. A hybrid co-imaging instrument, EPRI (1.2 GHz) / proton MRI (16.18 MHz), suitable for whole-body co-imaging of mice was utilized with common magnet and gradients along with dual EPR/NMR resonators that enable co-imaging without sample movement. The metabolism of the nitroxide probe, 3–carbamoyl–proxyl (3-CP), was used to map the redox state of control and SHS-exposed mice. Co-imaging allowed precise 3D mapping of radical distribution and reduction in major organs such as the heart, lungs, liver, bladder and kidneys. Reductive metabolism was markedly decreased in SHS-exposed mice and EPR/NMR co-imaging allowed quantitative assessment of this throughout the body. Thus, in vivo EPR/NMR co-imaging enables in vivo organ specific mapping of free radical metabolism and redox stress and the alterations that occur in the pathogenesis of disease. PMID:22296801

  12. Organ specific mapping of in vivo redox state in control and cigarette smoke-exposed mice using EPR/NMR co-imaging

    NASA Astrophysics Data System (ADS)

    Caia, George L.; Efimova, Olga V.; Velayutham, Murugesan; El-Mahdy, Mohamed A.; Abdelghany, Tamer M.; Kesselring, Eric; Petryakov, Sergey; Sun, Ziqi; Samouilov, Alexandre; Zweier, Jay L.

    2012-03-01

    In vivo mapping of alterations in redox status is important for understanding organ specific pathology and disease. While electron paramagnetic resonance imaging (EPRI) enables spatial mapping of free radicals, it does not provide anatomic visualization of the body. Proton MRI is well suited to provide anatomical visualization. We applied EPR/NMR co-imaging instrumentation to map and monitor the redox state of living mice under normal or oxidative stress conditions induced by secondhand cigarette smoke (SHS) exposure. A hybrid co-imaging instrument, EPRI (1.2 GHz)/proton MRI (16.18 MHz), suitable for whole-body co-imaging of mice was utilized with common magnet and gradients along with dual EPR/NMR resonators that enable co-imaging without sample movement. The metabolism of the nitroxide probe, 3-carbamoyl-proxyl (3-CP), was used to map the redox state of control and SHS-exposed mice. Co-imaging allowed precise 3D mapping of radical distribution and reduction in major organs such as the heart, lungs, liver, bladder and kidneys. Reductive metabolism was markedly decreased in SHS-exposed mice and EPR/NMR co-imaging allowed quantitative assessment of this throughout the body. Thus, in vivo EPR/NMR co-imaging enables in vivo organ specific mapping of free radical metabolism and redox stress and the alterations that occur in the pathogenesis of disease.

  13. Quantitative, dynamic and noninvasive determination of skeletal muscle perfusion in mouse leg by NMR arterial spin-labeled imaging.

    PubMed

    Bertoldi, Didier; Loureiro de Sousa, Paulo; Fromes, Yves; Wary, Claire; Carlier, Pierre G

    2008-11-01

    Because mouse may relatively easily be genetically tailored to develop equivalent of human muscular diseases or to present controlled alterations of mechanisms involved in vasoregulation, it has become the prevalent species to explore such questions. However, the very small size of the animals represents a serious limitation when evaluating the functional consequences of these genetic manipulations. In this context, the recourse to arterial spin labeling (ASL) nuclear magnetic resonance (NMR) methods in which arterial water spins act as an endogenous and freely diffusible tracer of perfusion is tempting but challenging. This article shows that despite the small size of the animal, mouse muscle perfusion may be measured, at rest and in conditions of reactive hyperemia, using saturation inversion recovery sequence, a pulsed ASL variant, combined with NMR imaging. Baseline perfusion values in the mouse leg were 17+/-11 ml.min(-1).100 g(-1) (n=11) and were comparable to microsphere data from the literature. Under ischemia, leg perfusion was 1.2+/-9.3 ml.min(-1).100 g(-1) (n=11). The difference observed between basal and ischemic measurements was statistically different (P=.0001). The temporal pattern of hyperemia in mouse muscle was coherent with previously published measurements in humans and in rats. The mean peak perfusion was 62+/-24 ml.min(-1).100 g(-1) (n=6) occurring 48+/-27 s after the end of occlusion. In conclusion, this study demonstrated the ability of ASL combined to NMR imaging to quantify skeletal muscle perfusion in mice legs, both at rest and dynamically.

  14. Nuclear reaction rate uncertainties and the 22Ne( p,gamma)23Na reaction: Classical novae and globular clusters

    NASA Astrophysics Data System (ADS)

    Kelly, Keegan John

    The overall theme of this thesis is the advancement of nuclear astrophysics via the analysis of stellar processes in the presence of varying levels of precision in the available nuclear data. With regard to classical novae, the level of mixing that occurs between the outer layers of the white dwarf core and the solar accreted material in oxygen-neon novae is presently undetermined by stellar models, but the nuclear data relevant to these explosive phenomena are fairly precise. This precision allowed for the identification of a series of elemental ratios indicative of the level of mixing occurring in novae. Direct comparisons of the modelled elemental ratios to observations showed that there is likely to be much less of this mixing than was previously assumed. Thus, our understanding of classical novae was altered via the investigation of the nuclear reactions relevant to this phenomenon. However, this level of experimental precision is rare and large nuclear reaction uncertainties can hinder our understanding of certain astrophysical phenomena. For example, it is commonly believed that uncertainties in the 22Ne(p,g)23Na reaction rate at temperatures relevant to thermally-pulsing asymptotic giant branch stars are largely responsible for our inability to explain the observed sodium-oxygen anti-correlation in globular clusters. With this motivation, resonances in the 22Ne(p,g) 23Na reaction at E_{c.m.} = 458, 417, 178, and 151 keV were measured. The direct-capture contribution was also measured at E_{lab} = 425 keV. It was determined that the 22Ne(p,g)23Na reaction rate in the astrophysically relevant temperature range is dominated by the resonances at 178 and 151 keV and that the total reaction rate is greater than the previously assumed rate by a factor of approximately ˜40 at 0.15 GK. This increased reaction rate impacts the expected nucleosynthesis that occurs in these stars and will shed light onto the origin of this anti-correlation as it is incorporated into

  15. Measurement of thermal neutron fluence distribution with use of 23Na radioactivation around a medical compact cyclotron.

    PubMed

    Fujibuchi, Toshioh; Yamaguchi, Ichiro; Kasahara, Tetsuharu; Iimori, Takashi; Masuda, Yoshitada; Kimura, Ken-ichi; Watanabe, Hiroshi; Isobe, Tomonori; Sakae, Takeji

    2009-07-01

    A medical compact cyclotron produces about 10(15) neutrons per day along with 100 GBq of (18)F. Therefore, it is important to establish radiation safety guidelines on residual radioactivity for routine operation, maintenance work, and decommissioning. Thus, we developed a simple method for measuring the thermal neutrons in a cyclotron room. In order to verify the feasibility of our proposed method, we measured the thermal neutron distribution around a cyclotron by using the activation of (23)Na in salt. We installed 78 salt dosimeters in the cyclotron room with a 50 cm mesh. The photopeak of (24)Na was measured, and the neutron flux distribution was estimated. Monitoring the neutron flux distribution in a cyclotron room appears to be useful for not only obtaining an accurate estimate of the distribution of induced radioactivity, but also optimizing the shield design for radiation safety in preparation for the decommissioning process.

  16. Fast production of large {sup 23}Na Bose-Einstein condensates in an optically plugged magnetic quadrupole trap

    SciTech Connect

    Heo, Myoung-Sun; Choi, Jae-yoon; Shin, Yong-il

    2011-01-15

    We demonstrate a fast production of large {sup 23}Na Bose-Einstein condensates in an optically plugged magnetic quadrupole trap. A single global minimum of the trapping potential is generated by slightly displacing the plug beam from the center of the quadrupole field. With a dark magneto-optical trap and a simple rf evaporation, our system produces a condensate with N{approx_equal}10{sup 7} atoms every 17 s. The Majorana loss rates and the resultant heating rates for various temperatures are measured with and without plugging. The average energy of a spin-flipped atom is almost linearly proportional to temperature and determined to be about 60% of the average energy of a trapped atom. We present a numerical study of the evaporation dynamics in a plugged linear trap.

  17. Longitudinal NMR parameter measurements of Japanese pear fruit during the growing process using a mobile magnetic resonance imaging system

    NASA Astrophysics Data System (ADS)

    Geya, Yuto; Kimura, Takeshi; Fujisaki, Hirotaka; Terada, Yasuhiko; Kose, Katsumi; Haishi, Tomoyuki; Gemma, Hiroshi; Sekozawa, Yoshihiko

    2013-01-01

    Longitudinal nuclear magnetic resonance (NMR) parameter measurements of Japanese pear fruit (Pyrus pyrifolia Nakai, Kosui) were performed using an electrically mobile magnetic resonance imaging (MRI) system with a 0.2 T and 16 cm gap permanent magnet. To measure the relaxation times and apparent diffusion coefficients of the pear fruit in relation to their weight, seven pear fruits were harvested almost every week during the cell enlargement period and measured in a research orchard. To evaluate the in situ relaxation times, six pear fruits were longitudinally measured for about two months during the same period. The measurements for the harvested samples showed good agreement with the in situ measurements. From the measurements of the harvested samples, it is clear that the relaxation rates of the pear fruits linearly change with the inverse of the linear dimension of the fruits, demonstrating that the relaxation mechanism is a surface relaxation. We therefore conclude that the mobile MRI system is a useful device for measuring the NMR parameters of outdoor living plants.

  18. Development of an antibody-based, modular biosensor for 129Xe NMR molecular imaging of cells at nanomolar concentrations

    PubMed Central

    Rose, Honor M.; Witte, Christopher; Rossella, Federica; Klippel, Stefan; Freund, Christian; Schröder, Leif

    2014-01-01

    Magnetic resonance imaging (MRI) is seriously limited when aiming for visualization of targeted contrast agents. Images are reconstructed from the weak diamagnetic properties of the sample and require an abundant molecule like water as the reporter. Micromolar to millimolar concentrations of conventional contrast agents are needed to generate image contrast, thus excluding many molecular markers as potential targets. To address this limitation, we developed and characterized a functional xenon NMR biosensor that can identify a specific cell surface marker by targeted 129Xe MRI. Cells expressing the cell surface protein CD14 can be spatially distinguished from control cells with incorporation of as little as 20 nM of the xenon MRI readout unit, cryptophane-A. Cryptophane-A serves as a chemical host for hyperpolarized nuclei and facilitates the sensitivity enhancement achieved by xenon MRI. Although this paper describes the application of a CD14-specific biosensor, the construct has been designed in a versatile, modular fashion. This allows for quick and easy adaptation of the biosensor to any cell surface target for which there is a specific antibody. In addition, the modular design facilitates the creation of a multifunctional probe that incorporates readout modules for different detection methods, such as fluorescence, to complement the primary MRI readout. This modular antibody-based approach not only offers a practical technique with which to screen targets, but one which can be readily applied as the xenon MRI field moves closer to molecular imaging applications in vivo. PMID:25071165

  19. A simple ergometer for 31P NMR spectroscopy during dynamic forearm exercise in a whole body magnetic resonance imaging system.

    PubMed

    Nishijima, H; Nishida, M; Anzai, T; Yonezawa, K; Fukuda, H; Sato, I; Yasuda, H

    1992-03-01

    The purpose of this study was to construct a simple ergometer for the 31P NMR spectroscopic study of dynamic forearm exercise in a whole body magnetic resonance imaging system and to evaluate the total system and the physiological response to this type of exercise using a multistage protocol. The system consisted of a completely nonmagnetic assembly including a rope, pulley and weights. The work of lifting weights was quantitated. The exercise protocol of 1-min increments in work load enabled subjects to reach maximal effort. Phosphocreatine decreased linearly with an increase in work load and was accompanied by a fall in pH and an increase in lactate level in the antecubital vein of the exercising forearm; concomitantly, there was a slight increase in whole body oxygen uptake and heart rate. Spectroscopy gave reproducible results using this exercise protocol. These results demonstrate that this system provides a reliable means for performing 31P magnetic resonance spectroscopy studies during forearm exercise.

  20. Estimating the surface relaxivity as a function of pore size from NMR T2 distributions and micro-tomographic images

    NASA Astrophysics Data System (ADS)

    Benavides, Francisco; Leiderman, Ricardo; Souza, Andre; Carneiro, Giovanna; Bagueira, Rodrigo

    2017-09-01

    In the present work, we formulate and solve an inverse problem to recover the surface relaxivity as a function of pore size. The input data for our technique are the T2 distribution measurement and the micro-tomographic image of the rock sample under investigation. We simulate the NMR relaxation signal for a given surface relaxivity function using the random walk method and rank different surface relaxivity functions according to the correlation of the resulting simulated T2 distributions with the measured T2 distribution. The optimization is performed using genetic algorithms and determines the surface relaxivity function whose corresponding simulated T2 distribution best matches the measured T2 distribution. In the proposed methodology, pore size is associated with a number of collisions in the random walk simulations. We illustrate the application of the proposed method by performing inversions from synthetic and laboratory input data and compare the obtained results with those obtained using the uniform relaxivity assumption.

  1. The Effect of Inhomogeneous Sample Susceptibility on Measured Diffusion Anisotropy Using NMR Imaging

    NASA Astrophysics Data System (ADS)

    Trudeau, J. D.; Dixon, W. T.; Hawkins, J.

    1995-07-01

    Water diffusion measurements in white matter of freshly excised pig spinal cord and in parenchyma of fresh celery (excluding the fibers along the edge of the stalk) were performed using NMR at 200 MHz. In white matter of pig spinal cord, the measured diffusion coefficient is anisotropic and independent of sample orientation with respect to the magnetic field, In celery parenchyma, diffusion is isotropic and independent of orientation in the magnetic field when using a diffusion sequence that gives results independent of self-induced magnetic-held gradients. However, when the standard diffusion pulse sequence that gives results dependent upon self-induced magnetic-field gradients is used, diffusion in celery appears isotropic when the stalk is oriented parallel to the magnetic field but anisotropic when oriented perpendicular. Susceptibility variations leading to anisotropic self-induced magnetic-field gradients approximately 3 kHz/cm in magnitude when the celery is oriented perpendicular to the magnetic field can explain this apparent anisotropic diffusion. A study of the apparent diffusion coefficient (ADC) in celery as a function of diffusion times ranging from 8 to 22 ms indicates that the motion is at most only slightly restricted. Therefore, although the effect is not seen in all types of samples, one must be aware that self-induced gradients may affect the ADC and may cause isotropic diffusion to appear anisotropic. In addition, NMR experiments that change diffusion-sensitizing gradient timings to study restricted diffusion change the effects of the self-induced gradients as well as the effect of barriers on the ADC, complicating interpretation.

  2. Stray-field NMR diffusion q-space diffraction imaging of monodisperse coarsening foams.

    PubMed

    Smith, Kieron; Burbidge, Adam; Apperley, David; Hodgkinson, Paul; Markwell, Fraser A; Topgaard, Daniel; Hughes, Eric

    2016-08-15

    The technique of stray field diffusion NMR is adapted to study the diffusion properties of water in monodisperse wet foams. We show for the first time, that the technique is capable of observing q-space diffusion diffraction peaks in monodisperse aqueous foams with initial bubble sizes in the range of 50-85μm. The position of the peak maximum can be correlated simply to the bubble size in the foam leading to a technique that can investigate the stability of the foam over time. The diffusion technique, together with supplementary spin-spin relaxation analysis of the diffusion data is used to follow the stability and coarsening behaviour of monodisperse foams with a water fraction range between 0.24 and 0.33. The monodisperse foams remain stable for a period of hours in terms of the initial bubble size. The duration of this stable period correlates to the initial size of the bubbles. Eventually the bubbles begin to coarsen and this is observed in changes in the position of the diffusion diffraction maxima. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  3. [Optimized study technic in meniscopathies by NMR tomographic 3D imaging at 1.5 tesla].

    PubMed

    Skalej, M; Klose, U; Küper, K

    1988-02-01

    Traumatic and degenerative changes in the meniscus can be demonstrated well by MRT, but the small size and complex anatomical structure of the menisci present practical problems. A correct understanding is only possible by images in several planes and good resolution, making the examination a lengthy procedure. A technique is therefore described using 3-D images and reconstruction of high-resolution films, which allows rapid examination of the menisci in optimal planes.

  4. [Thin-layer NMR-imaging with a new T2-weighted 3-D-procedure].

    PubMed

    Friedburg, H; Ratzel, D; Ströbel, B; Bockenheimer, S

    1984-04-01

    Presentation of first experience with a new 3-dimensional data acquisition method. The new method yields sets of 120 continuous images of the head and brain in all 3 dimensions (slice thickness and spatial resolution both being 1.7 mm.) with a data acquisition time of 15 minutes. Depending on pulse sequences T1- or T2-images are available. Advantages and disadvantages are discussed.

  5. Enhancement and segmentation for NMR images of blood flow in arteries

    NASA Astrophysics Data System (ADS)

    Yang, Guang-Zhong; Burger, Peter

    1990-09-01

    STRACT The widespread prevalence of atherosclerotic vascular disease has given rise to the need for a simple noninvasive imaging examination of the cardiovascular performance of patients. The potential of using Magnetic Resonance (MR) Imaging to quantify flow in vivo has for reaching possibilities for the future of preventive medicine. In this paper we address the problem of using MR velocity imaging to analyse the flow boundaries in human arteries which are of great importance to the early diagnosis ef occlusive diseases. A flow related enhancement process is introduced in this paper. It is designed to suppress the residuals and the noisy background of the MR velocity images caused by misregistration tissue movement and uneven magnetic field and provide great improvement in signal to noise ratio. From the enhanced image the main flow areas can be delineated by a thresholding process which defines the kernel of the flow. The boundaries of the kernel region are then dynamically guided by a defined flow boundary localization process to their final positions. The results of the application of this coarse to fine process show its robustness and effectiveness for the determination of the blood blow boundaries form very low quality MR velocity images.

  6. Measurement of the 23Na(n,2n) cross section in 235U and 252Cf fission neutron spectra

    NASA Astrophysics Data System (ADS)

    Košťál, Michal; Schulc, Martin; Rypar, Vojtěch; Losa, Evžen; Švadlenková, Marie; Baroň, Petr; Jánský, Bohumil; Novák, Evžen; Mareček, Martin; Uhlíř, Jan

    2017-09-01

    The presented paper aims to compare the calculated and experimental reaction rates of 23Na(n,2n)22Na in a well-defined reactor spectra and in the spontaneous fission spectrum of 252Cf. The experimentally determined reaction rate, derived using gamma spectroscopy of irradiated NaF sample, is used for average cross section determination.Estimation of this cross-section is important as it is included in International Reactor Dosimetry and Fusion File and is also relevant to the correct estimation of long-term activity of Na coolant in Sodium Fast Reactors. The calculations were performed with the MCNP6 code using ENDF/B-VII.0, JEFF-3.1, JEFF-3.2, JENDL-3.3, JENDL-4, ROSFOND-2010, CENDL-3.1 and IRDFF nuclear data libraries. In the case of reactor spectrum, reasonable agreement was not achieved with any library. However, in the case of 252Cf spectrum agreement was achieved with IRDFF, JEFF-3.1 and JENDL libraries.

  7. Integration of biaxial planar gradient coils and an RF microcoil for NMR flow imaging

    NASA Astrophysics Data System (ADS)

    Goloshevsky, A. G.; Walton, J. H.; Shutov, M. V.; de Ropp, J. S.; Collins, S. D.; McCarthy, M. J.

    2005-02-01

    A package of two planar gradient coils combined with an RF coil was microfabricated for low-field MRI measurements of velocity flow profiles. The package generates orthogonal gradients in the radial and velocity encoding directions for standard flow imaging experiments. A commercial 0.6 T superconductive magnet was used to test coil performance. For comparison flow imaging was also performed using a commercial set of gradient coils. Velocity profiles were obtained for several volumetric flow rates of water in tubes with inner diameters of 1.02 mm and 1.4 mm. Velocity resolution was 0.13 mm s-1, comparable to that achieved with commercial gradient coils. The quality of the velocity profile was sufficient for viscosity calculations, and thus permits future utilization of this coil package in the design of a portable MRI viscometer.

  8. Clinical NMR imaging of the brain in children: normal and neurologic disease

    SciTech Connect

    Johnson, M.A,; Pennock, J.M.; Bydder, G.M.; Steiner, R.E.; Thomas, D.J.; Hayward, R.; Bryant, D.R.T.; Payne, J.A.; Levene, M.I.; Whitelaw, A.; Dubowitz, L.M.S.; Dubowitz, V.

    1983-11-01

    The results of initial clinical nuclear magnetic resonance imaging of the brain in eight normal and 52 children with a wide variety of neurologic diseases were reviewed. The high level of gray-white matter contrast available with inversion-recovery sequences provided a basis for visualizing normal myelination as well as delays or deficits in this process. The appearances seen in cases of parenchymal hemorrhage, cerebral infarction, and proencephalic cysts are described. Ventricular enlargement was readily identified and marginal edema was demonstrated with spin-echo sequences. Abnormalities were seen in cerebral palsy, congenital malformations, Hallervorden-Spatz disease, aminoaciduria, and meningitis. Space-occupying lesions were identified by virtue of their increased relaxation times and mass effects. Nuclear magnetic resonance imaging has considerable potential in pediatric neuroradiologic practice, in some conditions supplying information not available by computed tomography or sonography.

  9. The hardening of Portland cement studied by ? NMR stray-field imaging

    NASA Astrophysics Data System (ADS)

    Nunes, Teresa; Randall, E. W.; Samoilenko, A. A.; Bodart, P.; Feio, G.

    1996-03-01

    Hydration and hardening processes of Portland cement (type I) were studied by analysis of the one-dimensional projections (profiles) obtained periodically with the 0022-3727/29/3/044/img8 stray-field imaging technique over two days. The influence of additives, such as gypsum, in Portland cement (type IA) was also investigated. The decay of the signal intensity as a function of time was found to be bi-exponential for type I and mono-exponential for type IA.

  10. Signal-to-noise analysis of cerebral blood volume maps from dynamic NMR imaging studies.

    PubMed

    Boxerman, J L; Rosen, B R; Weisskoff, R M

    1997-01-01

    The use of cerebral blood volume (CBV) maps generated from dynamic MRI studies tracking the bolus passage of paramagnetic contrast agents strongly depends on the signal-to-noise ratio (SNR) of the maps. The authors present a semianalytic model for the noise in CBV maps and introduce analytic and Monte Carlo techniques for determining the effect of experimental parameters and processing strategies upon CBV-SNR. CBV-SNR increases as more points are used to estimate the baseline signal level. For typical injections, maps made with 10 baseline points have 34% more noise than those made with 50 baseline points. For a given peak percentage signal drop, an optimum TE can be chosen that, in general, is less than the baseline T2. However, because CBV-SNR is relatively insensitive to TE around this optimum value, choosing TE approximately equal to T2 does not sacrifice much SNR for typical doses of contrast agent. The TR that maximizes spin-echo CBV-SNR satisfies TR/T1 approximately equal to 1.26, whereas as short a TR as possible should be used to maximize gradient-echo CBV-SNR. In general, CBV-SNR is maximized for a given dose of contrast agent by selecting as short an input bolus duration as possible. For image SNR exceeding 20-30, the gamma-fitting procedure adds little extra noise compared with simple numeric integration. However, for noisier input images, can be the case for high resolution echo-planar images, the covarying parameters of the gamma-variate fit broaden the distribution of the CBV estimate and thereby decrease CBV-SNR. The authors compared the analytic noise predicted by their model with that of actual patient data and found that the analytic model accounts for roughly 70% of the measured variability of CBV within white matter regions of interest.

  11. A three-coil RF probe-head at 2.35 T: Potential applications to the (23)Na and to the hyperpolarized (129)Xe MRI in small animals.

    PubMed

    Asfour, Aktham

    2010-01-01

    We present in this paper a dedicated home-built RF probe-head for the MRI of rat brain at 2.35 T. This probe consists of an association of three coils: a double-tuned birdcage coil, which could be used for both transmitting and receiving, and a single-tuned surface coil that is used for the only receiving. This single-tuned coil is actively decoupled from the double-tuned volume coil. The active decoupling is based on the pole insertion technique using PIN diodes circuitry. This development was initially motivated by its potential and future application to the brain perfusion measurements by the MRI of hyperpolarized xenon-129 (HP (129)Xe). However, one of underlying ideas behind this work is to proceed well beyond this specific application. Particularly, the developed coil could also be dedicated for the sodium-23 ((23)Na) MRI in the rat brain. Indeed we tried to make the design versatile, simple and easy to replicate by other research groups, with a low cost, minimum development time and accepted performances. We believe that this design could by useful for groups who consider building own hardware. This is why we describe in some details the practical aspects of the workbench design as well as the coil characterization. For simplicity reasons, the first results of developed prototype were obtained at 100 MHz and 26.4 MHz (proton and sodium-23 frequencies at 2.35 T). MR images of phantoms were realized. In-vivo (1)H images and (23)Na spectra of the rat brain were also obtained. Future validation would concern the MRI of HP (129)Xe.

  12. Multiphase imaging of gas flow in a nanoporous material usingremote detection NMR

    SciTech Connect

    Harel, Elad; Granwehr, Josef; Seeley, Juliette A.; Pines, Alex

    2005-10-03

    Pore structure and connectivity determine how microstructured materials perform in applications such as catalysis, fluid storage and transport, filtering, or as reactors. We report a model study on silica aerogel using a recently introduced time-of-flight (TOF) magnetic resonance imaging technique to characterize the flow field and elucidate the effects of heterogeneities in the pore structure on gas flow and dispersion with Xe-129 as the gas-phase sensor. The observed chemical shift allows the separate visualization of unrestricted xenon and xenon confined in the pores of the aerogel. The asymmetrical nature of the dispersion pattern alludes to the existence of a stationary and a flow regime in the aerogel. An exchange time constant is determined to characterize the gas transfer between them. As a general methodology, this technique provides new insights into the dynamics of flow in porous media where multiple phases or chemical species may be present.

  13. NMR in biology and medicine

    SciTech Connect

    Chien, S.; Chien, H.

    1986-01-01

    This volume explores the applications of NMR in basic biological research and in clinical diagnosis. The contributors highlight the capabilities of NMR as a tool for studying living organisms at the molecular and cellular levels and detecting abnormalities in various organ systems. Included are solid-state and high-resolution NMR studies of the molecular structure and dynamic interactions of lipids, proteins, and nucleic acids. The latest developments in NMR zeugmatographic imaging and in musculoskeletal and cardiovascular magnetic resonance imaging are detailed. Concluding chapters review the uses of in vivo NMR spectroscopy to study energy metabolism and cellular biochemistry. Emphasis is placed on in vivo NMR spectroscopy studies that elucidate normal metabolic functions and their pathological disturbances.

  14. The 12C(12C,α)20Ne and 12C(12C,p)23Na reactions at the Gamow peak via the Trojan Horse Method

    NASA Astrophysics Data System (ADS)

    Tumino, A.; Spitaleri, C.; Cherubini, S.; Guardo, L.; Gulino, M.; Indelicato, I.; La Cognata, M.; Lamia, L.; Pizzone, R. G.; Puglia, S. M. R.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Spartá, R.

    2016-05-01

    A measurement of the 12C(14N,α20Ne)2H and 12C(14N,p23Na)2Hreactions has been performed at a 14N beam energy of 30.0 MeV. The experiment aims to explore the extent to which contributing 24Mg excited states can be populated in the quasi-free reaction off the deuteron in 14N. In particular, the 24Mg excitation region explored in the measurement plays a key role in stellar carbon burning whose cross section is commonly determined by extrapolating high-energy fusion data. From preliminary results, α and proton channels are clearly identified. In particular, ground and first excited states of 20Ne and 23Na play a major role.

  15. Multinuclear NMR study of silica fiberglass modified with zirconia.

    PubMed

    Lapina, O B; Khabibulin, D F; Terskikh, V V

    2011-01-01

    Silica fiberglass textiles are emerging as uniquely suited supports in catalysis, which offer unprecedented flexibility in designing advanced catalytic systems for chemical and auto industries. During manufacturing fiberglass materials are often modified with additives of various nature to improve glass properties. Glass network formers, such as zirconia and alumina, are known to provide the glass fibers with higher strength and to slow down undesirable devitrification processes. In this work multinuclear (1)H, (23)Na, (29)Si, and (91)Zr NMR spectroscopy was used to characterize the effect of zirconia on the molecular-level fiberglass structure. (29)Si NMR results help in understanding why zirconia-modified fiberglass is more stable towards devitrification comparing with pure silica glass. Internal void spaces formed in zirconia-silica glass fibers after acidic leaching correlate with sodium and water distributions in the starting bulk glass as probed by (23)Na and (1)H NMR. These voids spaces are important for stabilization of catalytically active species in the supported catalysts. Potentials of high-field (91)Zr NMR spectroscopy to study zirconia-containing glasses and similarly disordered systems are illustrated. Copyright © 2011 Elsevier Inc. All rights reserved.

  16. Application of NMR spectroscopy and multidimensional imaging to the gelcasting process and in-situ real-time monitoring of cross-linking polyacrylamide gels

    SciTech Connect

    Ahuja, S.; Dieckman, S.L.; Gopalsami, N.

    1995-04-01

    In the gelcasting process, a slurry of ceramic powder in a solution of organic monomers is cast in a mold. The process is different from injection molding in that it separates mold-filling from setting during conversion of the ceramic slurry to a formed green part. In this work, NMR spectroscopy and imaging have been conducted for in-situ monitoring of the gelation process and for mapping the polymerization. {sup 1}H nuclear magnetic resonance spectra have been obtained during polymerization of a premix of soluble reactive methacrylamide (monomer) and N, N`-methylene bisacrylamide (cross-linking molecules). The premix was polymerized by adding ammonium persulfate (initiator) and tetramethyl-ethylene-diamine (accelerator) to form long-chain, cross-linked polymers. The time-varying spin-lattice relaxation times T{sub 1} during polymerization have been studied at 25 and 35{degrees}C, and the variation of spectra and T{sub 1} with respect to extent of polymerization has been determined. To verify homogeneous polymerization, multidimensional NMR imaging was utilized for in-situ monitoring of the process. The intensities from the images are modeled and the correspondence shows a direct extraction of T{sub 1} data from the images.

  17. Cation substitution in β-tricalcium phosphate investigated using multi-nuclear, solid-state NMR

    NASA Astrophysics Data System (ADS)

    Grigg, Andrew T.; Mee, Martin; Mallinson, Phillip M.; Fong, Shirley K.; Gan, Zhehong; Dupree, Ray; Holland, Diane

    2014-04-01

    The substitution of aluminium, gallium and sodium cations into β-tricalcium phosphate (β-TCP; Ca3(PO4)2) has been investigated, and the Ca sites involved successfully determined, using a combination of 1D 31P, 27Al, 71Ga, 23Na and 43Ca (natural abundance) NMR and 2D 27Al{31P}, 71Ga{31P} and 23Na{31P} rotary-resonance-recoupled heteronuclear multiple-quantum correlation (R3-HMQC) NMR. Over the compositional range studied, substitution of Ca2+ by Al3+ or Ga3+ was observed only on the Ca(5) site, whilst substitution by Na+ was confined to the Ca(4) site. Some AlPO4 or GaPO4 second phase was observed at the highest doping levels in the Al3+ and Ga3+ substituted samples.

  18. Multispectral Analysis of NMR Imagery

    NASA Technical Reports Server (NTRS)

    Butterfield, R. L.; Vannier, M. W. And Associates; Jordan, D.

    1985-01-01

    Conference paper discusses initial efforts to adapt multispectral satellite-image analysis to nuclear magnetic resonance (NMR) scans of human body. Flexibility of these techniques makes it possible to present NMR data in variety of formats, including pseudocolor composite images of pathological internal features. Techniques do not have to be greatly modified from form in which used to produce satellite maps of such Earth features as water, rock, or foliage.

  19. Multispectral Analysis of NMR Imagery

    NASA Technical Reports Server (NTRS)

    Butterfield, R. L.; Vannier, M. W. And Associates; Jordan, D.

    1985-01-01

    Conference paper discusses initial efforts to adapt multispectral satellite-image analysis to nuclear magnetic resonance (NMR) scans of human body. Flexibility of these techniques makes it possible to present NMR data in variety of formats, including pseudocolor composite images of pathological internal features. Techniques do not have to be greatly modified from form in which used to produce satellite maps of such Earth features as water, rock, or foliage.

  20. A 23Na magic angle spinning nuclear magnetic resonance, XANES, and high-temperature X-ray diffraction study of NaUO3, Na4UO5, and Na2U2O7.

    PubMed

    Smith, A L; Raison, P E; Martel, L; Charpentier, T; Farnan, I; Prieur, D; Hennig, C; Scheinost, A C; Konings, R J M; Cheetham, A K

    2014-01-06

    The valence state of uranium has been confirmed for the three sodium uranates NaU(V)O3/[Rn](5f(1)), Na4U(VI)O5/[Rn](5f(0)), and Na2U(VI)2O7/[Rn](5f(0)), using X-ray absorption near-edge structure (XANES) spectroscopy. Solid-state (23)Na magic angle spinning nuclear magnetic resonance (MAS NMR) measurements have been performed for the first time, yielding chemical shifts at -29.1 (NaUO3), 15.1 (Na4UO5), and -14.1 and -19 ppm (Na1 8-fold coordinated and Na2 7-fold coordinated in Na2U2O7), respectively. The [Rn]5f(1) electronic structure of uranium in NaUO3 causes a paramagnetic shift in comparison to Na4UO5 and Na2U2O7, where the electronic structure is [Rn]5f(0). A (23)Na multi quantum magic angle spinning (MQMAS) study on Na2U2O7 has confirmed a monoclinic rather than rhombohedral structure with evidence for two distinct Na sites. DFT calculations of the NMR parameters on the nonmagnetic compounds Na4UO5 and Na2U2O7 have permitted the differentiation between the two Na sites of the Na2U2O7 structure. The linear thermal expansion coefficients of all three compounds have been determined using high-temperature X-ray diffraction: αa = 22.7 × 10(-6) K(-1), αb = 12.9 × 10(-6) K(-1), αc = 16.2 × 10(-6) K(-1), and αvol = 52.8 × 10(-6) K(-1) for NaUO3 in the range 298-1273 K; αa = 37.1 × 10(-6) K(-1), αc = 6.2 × 10(-6) K(-1), and αvol = 81.8 × 10(-6) K(-1) for Na4UO5 in the range 298-1073 K; αa = 6.7 × 10(-6) K(-1), αb = 14.4 × 10(-6) K(-1), αc = 26.8 × 10(-6) K(-1), αβ = -7.8 × 10(-6) K(-1), and αvol = -217.6 × 10(-6) K(-1) for Na2U2O7 in the range 298-573 K. The α to β phase transition reported for the last compound above about 600 K was not observed in the present studies, either by high-temperature X-ray diffraction or by differential scanning calorimetry.

  1. Multinuclear Solid-State NMR Investigation of Hexaniobate and Hexatantalate Compounds.

    PubMed

    Deblonde, Gauthier J-P; Coelho-Diogo, Cristina; Chagnes, Alexandre; Cote, Gérard; Smith, Mark E; Hanna, John V; Iuga, Dinu; Bonhomme, Christian

    2016-06-20

    This work determines the potential of solid-state NMR techniques to probe proton, alkali, and niobium environments in Lindqvist salts. Na7HNb6O19·15H2O (1), K8Nb6O19·16H2O (2), and Na8Ta6O19·24.5H2O (3) have been studied by solid-state static and magic angle spinning (MAS) NMR at high and ultrahigh magnetic field (16.4 and 19.9 T). (1)H MAS NMR was found to be a convenient and straightforward tool to discriminate between protonated and nonprotonated clusters AxH8-xM6O19·nH2O (A = alkali ion; M = Nb, Ta). (93)Nb MAS NMR studies at different fields and MAS rotation frequencies have been performed on 1. For the first time, the contributions of NbO5Oμ2H sites were clearly distinguished from those assigned to NbO6 sites in the hexaniobate cluster. The strong broadening of the resonances obtained under MAS was interpreted by combining chemical shift anisotropy (CSA) with quadrupolar effects and by using extensive fitting of the line shapes. In order to obtain the highest accuracy for all NMR parameters (CSA and quadrupolar), (93)Nb WURST QCPMG spectra in the static mode were recorded at 16.4 T for sample 1. The (93)Nb NMR spectra were interpreted in connection with the XRD data available in the literature (i.e., fractional occupancies of the NbO5Oμ2H sites). 1D (23)Na MAS and 2D (23)Na 3QMAS NMR studies of 1 revealed several distinct sodium sites. The multiplicity of the sites was again compared to structural details previously obtained by single-crystal X-ray diffraction (XRD) studies. The (23)Na MAS NMR study of 3 confirmed the presence of a much larger distribution of sodium sites in accordance with the 10 sodium sites predicted by XRD. Finally, the effect of Nb/Ta substitutions in 1 was also probed by multinuclear MAS NMR ((1)H, (23)Na, and (93)Nb).

  2. The Wellcome Foundation lecture, 1984. Nuclear magnetic resonance imaging in medicine: medical and biological applications and problems.

    PubMed

    Mallard, J R

    1986-01-22

    From early biological work and the first T1 nuclear magnetic resonance (n.m.r.) animal image in 1974, whole-body patient images, by using a two-dimensional Fourier transform method were achieved in Aberdeen in 1980 with a 0.04 T vertical resistive magnet. Different pulse sequences produce images dependent by different amounts on proton density, T1 and T2, and for clinical work it is advantageous to use more than one pulse sequence to image pathology. The slow improvement of spatial resolution with increasing standing magnetic field strength is discussed and information on the T1 and T2 contrast dependence is reviewed: it suggests that the gains from high fields may be less than believed hitherto. Electrocardiogram gating can be used to produce moving images of the beating heart; blood flow can be imaged and surface radiofrequency coils are used for improved detail. N.m.r. imaging has considerable potential for studying response to therapy; mental states and dementia; tissue generation; discriminating body fat and body fluids. Other nuclei such as 23Na can be imaged and the potential to image fluorine-labelled pharmaceuticals could be very exciting; n.m.r. contrast agents are now being developed. Images formed from T1 values measured for each pixel are very useful for diagnosis, but the numerical values themselves are less valuable for distinctive pathological identification. With 15 companies manufacturing n.m.r. imagers and over 200 in use in hospitals, the technique is rapidly becoming established in diagnostic clinical practice and some typical uses are presented.

  3. In vitro NMR proton images/0031-9155/41/3/014/img1.gif"/> measurements in peritoneal ascites

    NASA Astrophysics Data System (ADS)

    Yilmaz, A.; Tez, M.; Göral, V.; Boylu, S.; Kaplan, A.; Kavak, G.

    1996-03-01

    The proton spin - lattice relaxation rate images/0031-9155/41/3/014/img10.gif" ALIGN="TOP"/> in malignant and non-malignant ascites was measured with an FT NMR spectrometer operating at 60 MHz. The mean relaxation rate in non-malignant ascites was significantly smaller than that of malignant ascites. However, the images/0031-9155/41/3/014/img11.gif" ALIGN="TOP"/> of malignant ascites overlaps with that of non-malignant ascites over all concentrations of total protein (TP) in samples. The images/0031-9155/41/3/014/img11.gif" ALIGN="TOP"/> in non-malignant ascites correlates strongly with TP, whilst the images/0031-9155/41/3/014/img11.gif" ALIGN="TOP"/> in malignant ascites shows only a moderate correlation. images/0031-9155/41/3/014/img14.gif" ALIGN="TOP"/> measurements before and after addition of ascorbic acid (reductant) suggest that there is a small paramagnetic contribution of ions to the images/0031-9155/41/3/014/img11.gif" ALIGN="TOP"/> in malignant ascites. The least-squares fitting of images/0031-9155/41/3/014/img11.gif" ALIGN="TOP"/> versus TP for non-malignant data gives a linear relationship, and suggests that the images/0031-9155/41/3/014/img14.gif" ALIGN="TOP"/> mechanism in non-malignant ascites is caused by a fast chemical exchange of water molecules between protein-bound water and free water.

  4. Effect of natural convection in a horizontally oriented cylinder on NMR imaging of the distribution of diffusivity

    NASA Astrophysics Data System (ADS)

    Mohorič, Aleš; Stepišnik, Janez

    2000-11-01

    This paper describes the influence of natural convection on NMR measurement of a self-diffusion constant of fluid in the earth's magnetic field. To get an estimation of the effect, the Lorenz model of natural convection in a horizontally oriented cylinder, heated from below, is derived. Since the Lorenz model of natural convection is derived for the free boundary condition, its validity is of a limited value for the natural no-slip boundary condition. We point out that even a slight temperature gradient can cause significant misinterpretation of measurements. The chaotic nature of convection enhances the apparent self-diffusion constant of the liquid.

  5. Lab-on-a-chip reactor imaging with unprecedented chemical resolution by Hadamard-encoded remote detection NMR.

    PubMed

    Telkki, Ville-Veikko; Zhivonitko, Vladimir V; Selent, Anne; Scotti, Gianmario; Leppäniemi, Jarmo; Franssila, Sami; Koptyug, Igor V

    2014-10-13

    The development of microfluidic processes requires information-rich detection methods. Here we introduce the concept of remote detection exchange NMR spectroscopy (RD-EXSY), and show that, along with indirect spatial information extracted from time-of-flight data, it provides unique information about the active regions, reaction pathways, and intermediate products in a lab-on-a-chip reactor. Furthermore, we demonstrate that direct spatial resolution can be added to RD-EXSY efficiently by applying the principles of Hadamard spectroscopy. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. NMR studies of renal phosphate metabolites in vivo: Effects of hydration and dehydration

    SciTech Connect

    Wolff, S.D.; Eng, C.; Balaban, R.S. )

    1988-10-01

    The present study characterizes the {sup 31}P-nuclear magnetic resonance (NMR) spectrum of rabbit kidneys in vivo and evaluates the effect of hydration on phosphorous metabolites including the organic solute glycerophosphorylcholine (GPC). Cortical phosphorylethanolamine is the predominant component of the phosphomonoester region of the {sup 31}P spectrum. The contribution of blood to the spectrum is mainly from 2,3 diphosphoglycerate, which comprises {approximately}30% of the inorganic phosphate region. Acute infusion of 0.9% saline decreases the sodium content of the inner medulla by >50% in 15 min as shown by {sup 23}Na imaging. Despite this medullary Na dilution, no change in renal GPC content was observed for >1 h even with the addition of furosemide or furosemide and antidiuretic hormone. However, 20 h of chronic dehydration with 0.45% saline did result in a 30% decrease in renal GPC content when compared with dehydrated animals. These findings are consistent with GPC not playing a role in the short-term regulation of the medullary intracellular milieu in response to acute reductions in medullary Na content.

  7. Compact orthogonal NMR field sensor

    DOEpatents

    Gerald, II, Rex E.; Rathke, Jerome W.

    2009-02-03

    A Compact Orthogonal Field Sensor for emitting two orthogonal electro-magnetic fields in a common space. More particularly, a replacement inductor for existing NMR (Nuclear Magnetic Resonance) sensors to allow for NMR imaging. The Compact Orthogonal Field Sensor has a conductive coil and a central conductor electrically connected in series. The central conductor is at least partially surrounded by the coil. The coil and central conductor are electrically or electro-magnetically connected to a device having a means for producing or inducing a current through the coil and central conductor. The Compact Orthogonal Field Sensor can be used in NMR imaging applications to determine the position and the associated NMR spectrum of a sample within the electro-magnetic field of the central conductor.

  8. Advanced NMR technology for bioscience and biotechnology

    SciTech Connect

    Hammel, P.C.; Hernandez, G.; Trewhella, J.; Unkefer, C.J.; Boumenthal, D.K.; Kennedy, M.A.; Moore, G.J.

    1998-11-01

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). NMR plays critical roles in bioscience and biotechnology in both imaging and structure determination. NMR is limited, however, by the inherent low sensitivity of the NMR experiment and the demands for spectral resolution required to study biomolecules. The authors addressed both of these issues by working on the development of NMR force microscopy for molecular imaging, and high field NMR with isotope labeling to overcome limitations in the size of biomolecules that can be studied using NMR. A novel rf coil design for NMR force microscopy was developed that increases the limits of sensitivity in magnetic resonance detection for imaging, and the authors demonstrated sub-surface spatial imaging capabilities. The authors also made advances in the miniaturization of two critical NMR force microscope components. They completed high field NMR and isotope labeling studies of a muscle protein complex which is responsible for regulating muscle contraction and is too large for study using conventional NMR approaches.

  9. Atrophy of calf muscles by unloading results in an increase of tissue sodium concentration and fat fraction decrease: a (23)Na MRI physiology study.

    PubMed

    Gerlach, D A; Schopen, K; Linz, P; Johannes, B; Titze, J; Zange, J; Rittweger, J

    2017-08-01

    (23)Na MRI demonstrated increased tissue sodium concentrations in a number of pathologies. Acute atrophy results in muscle fibre volume shrinking that may result in a relative increase of extracellular volume and might affect sodium concentration. Thus, we hypothesized that local unloading of the calf muscles would lead to a decrease in muscle volume and an increase in muscle tissue sodium concentration. One lower leg of 12 healthy male subjects was submitted to a 60 day long period of unloading using the Hephaistos orthosis, while the other leg served as control. (23)Na MRI and 2D PD-weighted Dixon turbo spin echo were obtained from the control and orthosis leg using a 3T scanner. For quantification, a sodium reference phantom was used with 10, 20, 30, and 40 mmol/L NaCl solution. Tissue sodium concentration (TSC) increased as an effect of unloading in the orthosis leg. Relative increases were 17.4 ± 16.8% (P = 0.005) in gastrocnemius medialis muscle, 11.1 ± 12.5 (P = 0.037) in gastrocnemius lateralis muscle, 16.2 ± 4.7% (P < 0.001) in soleus muscle, 10.0 ± 10.5% (P = 0.009) in the ventral muscle group, and 10.7 ± 10.0% (P = 0.003) in the central muscle group, respectively. TSC in the control leg did not significantly change. In the orthosis leg, muscle volume decreased as follows: medial gastrocnemius muscle: -5.4 ± 8.3% (P = 0.043) and soleus muscle: -7.8 ± 15.0% (P = 0.043). Unloading atrophy is associated with an increase in muscle sodium concentration. (23)Na MRI is capable of detecting these rather small changes.

  10. Using "On/Off" (19)F NMR/Magnetic Resonance Imaging Signals to Sense Tyrosine Kinase/Phosphatase Activity in Vitro and in Cell Lysates.

    PubMed

    Zheng, Zhen; Sun, Hongbin; Hu, Chen; Li, Gongyu; Liu, Xiaomei; Chen, Peiyao; Cui, Yusi; Liu, Jing; Wang, Junfeng; Liang, Gaolin

    2016-03-15

    Tyrosine kinase and phosphatase are two important, antagonistic enzymes in organisms. Development of noninvasive approach for sensing their activity with high spatial and temporal resolution remains challenging. Herein, we rationally designed a hydrogelator Nap-Phe-Phe(CF3)-Glu-Tyr-Ile-OH (1a) whose supramolecular hydrogel (i.e., Gel 1a) can be subjected to tyrosine kinase-directed disassembly, and its phosphate precursor Nap-Phe-Phe(CF3)-Glu-Tyr(H2PO3)-Ile-OH (1b), which can be subjected to alkaline phosphatase (ALP)-instructed self-assembly to form supramolecular hydrogel Gel 1b, respectively. Mechanic properties and internal fibrous networks of the hydrogels were characterized with rheology and cryo transmission electron microscopy (cryo-TEM). Disassembly/self-assembly of their corresponding supramolecular hydrogels conferring respective "On/Off" (19)F NMR/MRI signals were employed to sense the activity of these two important enzymes in vitro and in cell lysates for the first time. We anticipate that our new (19)F NMR/magnetic resonance imaging (MRI) method would facilitate pharmaceutical researchers to screen new inhibitors for these two enzymes without steric hindrance.

  11. Soils, Pores, and NMR

    NASA Astrophysics Data System (ADS)

    Pohlmeier, Andreas; Haber-Pohlmeier, Sabina; Haber, Agnes; Sucre, Oscar; Stingaciu, Laura; Stapf, Siegfried; Blümich, Bernhard

    2010-05-01

    the connectivity of the pore system. Examples are given for T1-T2 correlation of some soil samples (Haber-Pohlmeier et al. 2010). Third, relaxometric information forms the basis of understanding magnetic resonance imaging (MRI) results. The general difficulty of imaging in soils are the inherent fast T2 relaxation times due to i) the small pore sizes, ii) presence of paramagnetic ions in the solid matrix, and iii) diffusion in internal gradients. The last point is important, since echo times can not set shorter than about 1ms for imaging purposes. The way out is either the usage of low fields for imaging in soils or special ultra-short pulse sequences, which do not create echoes. In this presentation we will give examples on conventional imaging of macropore fluxes in soil cores (Haber-Pohlmeier et al. 2010), and the combination with relaxometric imaging, as well as the advantages and drawbacks of low-field and ultra-fast pulse imaging. Also first results on the imaging of soil columns measured by SIP in Project A3 are given. Haber-Pohlmeier, S., S. Stapf, et al. (2010). "Waterflow Monitored by Tracer Transport in Natural Porous Media Using MRI." Vadose Zone J.: submitted. Haber-Pohlmeier, S., S. Stapf, et al. (2010). "Relaxation in a Natural soil: Comparison of Relaxometric Imaging, T1 - T2 Correlation and Fast-Field Cycling NMR." The Open Magnetic Resonance Journal: in print. Pohlmeier, A., S. Haber-Pohlmeier, et al. (2009). "A Fast Field Cycling NMR Relaxometry Study of Natural Soils." Vadose Zone J. 8: 735-742. Stingaciu, L. R., A. Pohlmeier, et al. (2009). "Characterization of unsaturated porous media by high-field and low-field NMR relaxometry." Water Resources Research 45: W08412

  12. 20 Ne(p, γ)22Na and 22Ne(p, γ)23Na Reaction Study with 5U-4 St. Ana Accelerator

    NASA Astrophysics Data System (ADS)

    Lyons, Stephanie; Goerres, Joachim; Jung, Hyo Soon; Robertson, Dan; Setoodehnia, Kiana; Stech, Ed; Wiescher, Michael; Kontos, Antonios

    2014-09-01

    Hydrogen burning can proceed via the NeNa cycle in stars whose stellar temperature is greater than 0.05GK. The NeNa cycle is important for the nucleosynthesis of Ne, Na, and Mg isotopes. Direct capture and the high energy tail of a subthreshold resonance dominate the stellar reaction rate for 20Ne(p, γ)21Na. The strength of the non-resonant contributions were measured relative to the resonance at 1.17 MeV. Due to conflicting results, we have remeasured the strength of this resonance relative to the 1.28 MeV resonance in 22Ne(p, γ)23Na using implanted neon targets. Study of this reaction has continued using the newly commissioned 5U-4 St. Ana Accelerator and re-furbished Rhinoceros Gas Target.

  13. Low-Background, High-Efficiency Setup for the Study of 22Ne(p, γ)23Na Reaction at Low Energy

    NASA Astrophysics Data System (ADS)

    Ferraro, Federico

    Measuring cross sections of astrophysical interest requires a low-background, high-efficiency setup and a very pure target. The Laboratory for Underground Nuclear Astrophysics (LUNA) developed a dedicated setup for the cross section measurement of the 22Ne(p, γ)23Na reaction. A windowless gas target and a six-fold, optically segmented BGO detector surrounding the interaction volume were used. A calorimetric system was developed for the real-time measurement of the beam current. Three recently measured resonances at 156.2, 189.5, and 259.7 keV and the possible resonances at 71 and 105 keV have been investigated with high statistics. Direct capture measurements were carried out as well.

  14. Chemical Twinning of Salt and Metal in the Subnitridometalates Ba23 Na11 (MN4 )4 with M=V, Nb, Ta.

    PubMed

    Wörsching, Matthias; Tambornino, Frank; Datz, Stefan; Hoch, Constantin

    2016-08-26

    The subnitridometalates Ba23 Na11 (MN4 )4 (M=V, Nb, Ta) crystallize in a new structure type, which shows ionic ortho-nitridometalate anions and motifs from simple (inter)metallic packings: Na-centered [Na8 ] cubes as cutouts of the bcc structure of elemental Na and Na-centered [Ba10 Na2 ] icosahedra as found in Laves phases, for example. Single-crystal and powder X-ray diffraction studies in combination with quantum-chemical calculations of the electronic structure and Raman spectroscopy support the characterization of the subnitridometalates as "chemical twins". They consist of independent building units with locally prevalent ionic or metallic bonding in an overall metallic compound.

  15. Mg NMR in DNA solutions: Dominance of site binding effects.

    PubMed

    Rose, D M; Bleam, M L; Record, M T; Bryant, R G

    1980-11-01

    (25)Mg NMR spectroscopy is applied to a study of magnesium ion interactions with DNA, which is considered as a model for a linear polyelectrolyte. It is demonstrated that the magnesium ion spectrum is complicated by a non-Lorent-zian line shape and is dominated by the effects of chemical exchange with macromolecule binding sites. A distinction is made between specific-site interactions in which the magnesium ion loses a water molecule from the first coordination sphere on binding and those interactions, referred to as territorial binding, in which the ion maintains its first coordination sphere complement of solvent. The first type of site-binding interactions are shown to dominate the magnesium ion NMR spectrum, based on a consideration of the magnitudes of the observed (25)Mg relaxation rates compared with (23)Na relaxation rates, the clear contributions of chemical exchange-limited relaxation, and an ion displacement experiment employing sodium.

  16. Cation/macromolecule interaction in alkaline cellulose solution characterized with pulsed field-gradient spin-echo NMR spectroscopy.

    PubMed

    Wang, Sen; Sun, Peng; Zhang, Rongrong; Lu, Ang; Liu, Maili; Zhang, Lina

    2017-03-06

    As a breakthrough to the traditional (1)H diffusometry, the interaction of cations with cellulose is investigated via(7)Li and (23)Na PFG-SE NMR. The diffusion coefficient of Li(+) decreases more than that of Na(+) with the addition of cellulose, which indicates a stronger binding of LiOH with the macromolecule. Therefore, a new, facile, accurate and repeatable method to characterize ion/polymer interactions is established.

  17. Applications of high resolution NMR to geochemistry: crystalline, glass, and molten silicates

    SciTech Connect

    Schneider, E.

    1985-11-01

    The nuclear spin interactions and the associated quantum mechanical dynamics which are present in solid state NMR are introduced. A brief overview of aluminosilicate structure is presented and crystalline structure is then reviewed, with emphasis on the contributions made by /sup 29/Si NMR spectroscopy. The local structure of glass aluminosilicates as observed by NMR, is presented with analysis of the information content of /sup 29/Si spectra. A high-temperature (to 1300/sup 0/C) NMR spectroscopic investigation of the local environment and dynamics of molecular motion in molten aluminosilicates is described. A comparison is made of silicate liquid, glass, and crystalline local structure. The atomic and molecular motions present in a melt are investigated through relaxation time (T/sub 1/ and T/sub 2/) measurements as a function of composition and temperature for /sup 23/Na and /sup 29/Si.

  18. Recognition of lumbar disk herniation with NMR

    SciTech Connect

    Chafetz, N.I.; Genant, H.K.; Moon, K.L.; Helms, C.A.; Morris, J.M.

    1983-12-01

    Fifteen nuclear magnetic resonance (NMR) studies of 14 patients with herniated lumbar intervertebral disks were performed on the UCSF NMR imager. Computed tomographic (CT) scans done on a GE CT/T 8800 or comparable scanner were available at the time of NMR scan interpretation. Of the 16 posterior disk ruptures seen at CT, 12 were recognized on NMR. Diminished nucleus pulposus signal intensity was present in all ruptured disks. In one patient, NMR scans before and after chymopapain injection showed retraction of the protruding part of the disk and loss of signal intensity after chemonucleolysis. Postoperative fibrosis demonstrated by CT in one patient and at surgery in another showed intermediate to high signal intensity on NMR, easily distinguishing it from nearby thecal sac and disk. While CT remains the method of choice for evaluation of the patient with suspected lumbar disk rupture, the results of this study suggest that NMR may play a role in evaluating this common clinical problem.

  19. NMR Hyperpolarization Techniques for Biomedicine

    PubMed Central

    Nikolaou, Panayiotis; Goodson, Boyd M.

    2015-01-01

    Recent developments in NMR hyperpolarization have enabled a wide array of new in vivo molecular imaging modalities—ranging from functional imaging of the lungs to metabolic imaging of cancer. This Concept article explores selected advances in methods for the preparation and use of hyperpolarized contrast agents, many of which are already at or near the phase of their clinical validation in patients. PMID:25470566

  20. Improved [Formula: see text] determination in (23)Na, (35)Cl, and (17)O MRI using iterative partial volume correction based on (1)H MRI segmentation.

    PubMed

    Niesporek, Sebastian C; Umathum, Reiner; Fiedler, Thomas M; Bachert, Peter; Ladd, Mark E; Nagel, Armin M

    2017-05-26

    Functional parameters can be measured with the help of quantitative non-proton MRI where exact relaxometry parameters are needed. Investigation of [Formula: see text] is often biased by strong partial volume (PV) effects. Hence, in this work a PV correction algorithm approach was evaluated that uses iteratively adapted [Formula: see text]-values and high-resolution structural (1)H data to determine transverse relaxation in non-proton MRI more accurately. Simulations, a phantom study and in vivo (23)Na, (17)O and (35)Cl MRI measurements of five healthy volunteers were performed to evaluate the algorithm. [Formula: see text] values of grey matter (GM), white matter (WM) and cerebrospinal fluid (CSF) were obtained. Data were acquired at B 0  = 7T with nominal spatial resolutions of (4-7 mm)(3) using a density-adapted radial sequence. The resulting transverse relaxation times were used for quantification of (17)O data. The conducted simulations and phantom study verified the correction performance of the algorithm. For in vivo measured [Formula: see text] values, the correction of PV effects leads to an increase in CSF and to a decrease in GM/WM ((23)Na MRI: long/short GM, WM [Formula: see text]: 36.4 ± 3.1/5.4 ± 0.2, 23.3 ± 2.6/3.5 ± 0.1 ms; (35)Cl MRI: 8.9 ± 1.4/1.0 ± 0.4, 5.9 ± 0.3/0.4 ± 0.1 ms; (17)O MRI: 2.5 ± 0.1, 2.8 ± 0.1 ms). Iteratively corrected in vivo [Formula: see text] values of the (17)O study resulted in improved water content quantification. The proposed iterative algorithm for PV correction leads to more accurate [Formula: see text] values and, thus, can improve accuracy in quantitative non-proton MRI.

  1. RF interference suppression in a cardiac synchronization system operating in a high magnetic field NMR imaging system

    SciTech Connect

    Damji, A.A.; Snyder, R.E.; Ellinger, D.C.; Witkowski, F.X.; Allen, P.S.

    1988-11-01

    An electrocardiographic (ECG) unit suitable for cardiac-synchronized nuclear magnetic resonance imaging in high magnetic fields is presented. The unit includes lossy transmission lines as ECG leads in order to suppress radio frequency (RF) interference in the electrocardiogram. The unit's immunity to RF interference is demonstrated.

  2. Magic-angle spinning solid-state multinuclear NMR on low-field instrumentation.

    PubMed

    Sørensen, Morten K; Bakharev, Oleg; Jensen, Ole; Jakobsen, Hans J; Skibsted, Jørgen; Nielsen, Niels Chr

    2014-01-01

    Mobile and cost-effective NMR spectroscopy exploiting low-field permanent magnets is a field of tremendous development with obvious applications for arrayed large scale analysis, field work, and industrial screening. So far such demonstrations have concentrated on relaxation measurements and lately high-resolution liquid-state NMR applications. With high-resolution solid-state NMR spectroscopy being increasingly important in a broad variety of applications, we here introduce low-field magic-angle spinning (MAS) solid-state multinuclear NMR based on a commercial ACT 0.45 T 62 mm bore Halbach magnet along with a homebuilt FPGA digital NMR console, amplifiers, and a modified standard 45 mm wide MAS probe for 7 mm rotors. To illustrate the performance of the instrument and address cases where the low magnetic field may offer complementarity to high-field NMR experiments, we demonstrate applications for (23)Na MAS NMR with enhanced second-order quadrupolar coupling effects and (31)P MAS NMR where reduced influence from chemical shift anisotropy at low field may facilitate determination of heteronuclear dipole-dipole couplings. Copyright © 2013 Elsevier Inc. All rights reserved.

  3. Magic-angle spinning solid-state multinuclear NMR on low-field instrumentation

    NASA Astrophysics Data System (ADS)

    Sørensen, Morten K.; Bakharev, Oleg; Jensen, Ole; Jakobsen, Hans J.; Skibsted, Jørgen; Nielsen, Niels Chr.

    2014-01-01

    Mobile and cost-effective NMR spectroscopy exploiting low-field permanent magnets is a field of tremendous development with obvious applications for arrayed large scale analysis, field work, and industrial screening. So far such demonstrations have concentrated on relaxation measurements and lately high-resolution liquid-state NMR applications. With high-resolution solid-state NMR spectroscopy being increasingly important in a broad variety of applications, we here introduce low-field magic-angle spinning (MAS) solid-state multinuclear NMR based on a commercial ACT 0.45 T 62 mm bore Halbach magnet along with a homebuilt FPGA digital NMR console, amplifiers, and a modified standard 45 mm wide MAS probe for 7 mm rotors. To illustrate the performance of the instrument and address cases where the low magnetic field may offer complementarity to high-field NMR experiments, we demonstrate applications for 23Na MAS NMR with enhanced second-order quadrupolar coupling effects and 31P MAS NMR where reduced influence from chemical shift anisotropy at low field may facilitate determination of heteronuclear dipole-dipole couplings.

  4. Superoxygenated Water as an Experimental Sample for NMR Relaxometry

    ERIC Educational Resources Information Center

    Nestle, Nikolaus; Dakkouri, Marwan; Rauscher, Hubert

    2004-01-01

    The increase in NMR relaxation rates as a result of dissolved paramagnetic species on the sample of superoxygenated drinking water is demonstrated. It is concluded that oxygen content in NMR samples is an important issue and can give rise to various problems in the interpretation of both spectroscopic and NMR imaging or relaxation experiments.

  5. Superoxygenated Water as an Experimental Sample for NMR Relaxometry

    ERIC Educational Resources Information Center

    Nestle, Nikolaus; Dakkouri, Marwan; Rauscher, Hubert

    2004-01-01

    The increase in NMR relaxation rates as a result of dissolved paramagnetic species on the sample of superoxygenated drinking water is demonstrated. It is concluded that oxygen content in NMR samples is an important issue and can give rise to various problems in the interpretation of both spectroscopic and NMR imaging or relaxation experiments.

  6. A pulsed field gradient and NMR imaging investigations of the water retention mechanism by cellulose ethers in mortars

    SciTech Connect

    Patural, Laetitia; Porion, Patrice; Van Damme, Henri; Govin, Alexandre; Grosseau, Philippe; Ruot, Bertrand; Deves, Olivier

    2010-09-15

    The study presented in this paper is devoted to improve the knowledge on the influence of cellulose ethers (CE) on the freshly-mixed mortars water retention. Indeed, this crucial property is the most important imparted by these polysaccharides. One of the assumptions proposed to explain this phenomenon is that CE acts as diffusion barrier to the water. To test this hypothesis, the CE effect on the self-diffusion coefficient of water in solution and on the water mobility between two fresh cement pastes was studied by Nuclear Magnetic Resonance. CE does not significantly modify the water self-diffusion coefficient in CE solution or in admixed cement pastes. Moreover the interdiffusion imaging experiments demonstrated that the water diffusion at the paste/paste interface is not affected by the presence of cellulosic admixture.

  7. Hepatocarcinogenesis tumor grading correlated with in vivo image-guided {sup 1}H-NMR spectroscopy in a rat model

    SciTech Connect

    Towner, Rheal A. . E-mail: Rheal-Towner@omrf.ouhsc.edu; Foley, Lesley M.; Painter, Dorothy M.

    2005-09-01

    Hepatocellular carcinoma (HCC) is a common malignancy worldwide, the occurrence of which is unevenly distributed. Most hepatocellular carcinoma cases present late and have a poor prognosis; therefore, early diagnosis is essential to prolong survival. Differential diagnosis with magnetic resonance imaging (MRI) is difficult. We studied the feasibility of using magnetic resonance spectroscopy (MRS) at 7.0 T for the diagnosis and grading of liver tumors. An animal model of hepatocarcinogenesis was used, which allowed tumor progression from precancerous lesions to hepatocellular carcinomas. This study was focused primarily on the grading of the tumors and its correlation with the ratio between the MRS peaks arising from MRS-detected lipid hydrogens (0.9, 1.3 and 5.3 ppm) and compared to the {gamma}-methylene hydrogens of glutamate (Glu) and glutamine (Gln) which was used as an internal reference (2.4 ppm). The lipid methylene hydrogen (1.3 ppm) to (Glu + Gln) ratio was found to correlate with the formation of differentiated small foci and (precancerous) hepatic nodules, whereas the unsaturated olefinic lipid hydrogen (5.3 ppm) to (Glu + Gln) ratio was able to correlate with the formation of late stage tumors such as adenomas and hepatocellular carcinomas. The results of our study suggest that MRS-detected alterations in lipid metabolism can be correlated with the grading of liver tumor tissue at different stages during the carcinogenesis process.

  8. Investigating the interactions of resveratrol with phospholipid vesicle bilayer and the skin: NMR studies and confocal imaging.

    PubMed

    Caddeo, Carla; Manconi, Maria; Cardia, Maria Cristina; Díez-Sales, Octavio; Fadda, Anna Maria; Sinico, Chiara

    2015-04-30

    In this work, phospholipid vesicle-based nanoformulations were developed to deliver antioxidant resveratrol (RSV) to the skin. Penetration enhancer-containing vesicles (PEVs) were prepared adding Oramix™ CG110 or Lauroglycol™ FCC to phosphatidylcholine to favor RSV diffusion through the skin, which was investigated using Franz cells. Vesicles were approximately 100 nm in size, negatively charged and fairly round in shape, as shown via transmission electron microscopy. Nuclear magnetic resonance studies were performed to investigate the RSV/vesicle interactions at the molecular scale, which revealed that RSV was deeply embedded in the bilayer, as shown by the restricted mobility of the drug. Moreover, PEVs improved drug local accumulation 1.7- to 2.1-fold, as compared to the control liposomes. Confocal imaging displayed broadened intercellular spaces in the viable epidermis of PEVs treated skin and high degree of hydration, which are presumably due to the occlusive film formed on the skin surface by the vesicles. These phenomena may be responsible for the higher RSV accumulation achieved when administering PEVs, as compared to control liposomes. Finally, the toxicity of the vesicular formulations was evaluated in vitro against 3T3 fibroblasts, showing no alteration on cell viability after 24h incubation with RSV loaded vesicles. The results from this study suggest that the proposed formulations may be a potential therapeutic alternative to treat skin disorders associated with oxidative stress. Copyright © 2015 Elsevier B.V. All rights reserved.

  9. NMR imaging estimates of muscle volume and intramuscular fat infiltration in the thigh: variations with muscle, gender, and age.

    PubMed

    Hogrel, Jean-Yves; Barnouin, Yoann; Azzabou, Noura; Butler-Browne, Gillian; Voit, Thomas; Moraux, Amélie; Leroux, Gaëlle; Behin, Anthony; McPhee, Jamie S; Carlier, Pierre G

    2015-06-01

    Muscle mass is particularly relevant to follow during aging, owing to its link with physical performance and autonomy. The objectives of this work were to assess muscle volume (MV) and intramuscular fat (IMF) for all the muscles of the thigh in a large population of young and elderly healthy individuals using magnetic resonance imaging (MRI) to test the effect of gender and age on MV and IMF and to determine the best representative slice for the estimation of MV and IMF. The study enrolled 105 healthy young (range 20-30 years) and older (range 70-80 years) subjects. MRI scans were acquired along the femur length using a three-dimension three-point Dixon proton density-weighted gradient echo sequence. MV and IMF were estimated from all the slices. The effects of age and gender on MV and IMF were assessed. Predictive equations for MV and IMF were established using a single slice at various femur levels for each muscle in order to reduce the analysis process. MV was decreased with aging in both genders, particularly in the quadriceps femoris. IMF was largely increased with aging in men and, to a lesser extent, in women. Percentages of MV decrease and IMF increase with aging varied according to the muscle. Predictive equations to predict MV and IMF from single slices are provided and were validated. This study is the first one to provide muscle volume and intramuscular fat infiltration in all the muscles of the thigh in a large population of young and elderly healthy subjects.

  10. Fabrication of homogeneously cross-linked, functional alginate microcapsules validated by NMR-, CLSM- and AFM-imaging.

    PubMed

    Zimmermann, H; Hillgärtner, M; Manz, B; Feilen, P; Brunnenmeier, F; Leinfelder, U; Weber, M; Cramer, H; Schneider, S; Hendrich, C; Volke, F; Zimmermann, U

    2003-05-01

    Cross-linked alginate microcapsules of sufficient mechanical strength can immunoisolate cells for the long-term treatment of hormone and other deficiency diseases in human beings. However, gelation of alginate by external Ba(2+) (or other divalent cations) produces non-homogeneous cross-linking of the polymeric mannuronic (M) and guluronic (G) acid chains. The stability of such microcapsules is rather limited. Here, we show that homogeneous cross-linking can be achieved by injecting BaCl(2) crystals into alginate droplets before they come into contact with external BaCl(2). The high effectiveness of this crystal gun method is demonstrated by confocal laser scanning microscopy and by advanced nuclear magnetic resonance imaging. Both techniques gave clear-cut evidence that homogeneous cross-linkage throughout the microcapsule is only obtained with simultaneous internal and external gelation. Atomic force microscopy showed a very smooth surface topography for microcapsules made by the crystal gun method, provided that excess Ba(2+) ions were removed immediately after gelation. In vitro experiments showed greatly suppressed swelling for crystal gun microcapsules. Even alginate extracted from Lessonia nigrescens (highly biocompatible) yielded microcapsules with long-term mechanical stability not hitherto possible. Encapsulation of rat islets, human monoclonal antibodies secreting hybridoma cells and murine mesenchymal stem cells transfected with cDNA encoding for bone morphogenetic protein (BMP-4) revealed that injection of BaCl(2) crystals has no adverse side effects on cell viability and function. However, the release of low-molecular weight factors (such as insulin) may be delayed when using alginate concentrations in the usual range.

  11. Fouling behavior of microstructured hollow fiber membranes in dead-end filtrations: critical flux determination and NMR imaging of particle deposition.

    PubMed

    Çulfaz, P Zeynep; Buetehorn, Steffen; Utiu, Lavinia; Kueppers, Markus; Bluemich, Bernhard; Melin, Thomas; Wessling, Matthias; Lammertink, Rob G H

    2011-03-01

    The fouling behavior of microstructured hollow fibers was investigated in constant flux filtrations of colloidal silica and sodium alginate. It was observed that the fouling resistance increases faster with structured fibers than with round fibers. Reversibility of structured fibers' fouling was similar during silica filtrations and better in sodium alginate filtrations when compared with round fibers. The deposition of two different silica sols on the membranes was observed by NMR imaging. The sols had different particle size and solution ionic strength and showed different deposition behaviors. For the smaller particle-sized sol in deionized solution (Ludox-TMA), there was more deposition within the grooves of the structured fibers and much less on the fins. For the alkali-stabilized sol Bindzil 9950, which had larger particles, the deposition was homogeneous across the surface of the structured fiber, and the thickness of the deposit was similar to that on the round fiber. This difference between the deposition behavior of the two sols is explained by differences in the back diffusion, which creates concentration polarization layers with different resistances. The Ludox sol formed a thick polarization layer with very low resistance. The Bindzil sol formed a slightly thinner polarization layer; however, its resistance was much higher, of similar magnitude as the intrinsic membrane resistance. This high resistance of the polarization layer during the Bindzil sol filtration is considered to lead to quick flow regulation toward equalizing the resistance along the fiber surface. The Ludox particles were trapped at the bottom of the grooves as a result of reduced back diffusion. The fouling behavior in sodium alginate filtrations was explained by considering the size-dependent deposition within the broad alginate size distribution. The better reversibility of fouling in the structured fibers is thought to be the result of a looser deposit within the grooves, which is

  12. NMR and MRI apparatus and method

    DOEpatents

    Clarke, John; Kelso, Nathan; Lee, SeungKyun; Moessle, Michael; Myers, Whittier; McDermott, Robert; ten Haken, Bernard; Pines, Alexander; Trabesinger, Andreas

    2007-03-06

    Nuclear magnetic resonance (NMR) signals are detected in microtesla fields. Prepolarization in millitesla fields is followed by detection with an untuned dc superconducting quantum interference device (SQUID) magnetometer. Because the sensitivity of the SQUID is frequency independent, both signal-to-noise ratio (SNR) and spectral resolution are enhanced by detecting the NMR signal in extremely low magnetic fields, where the NMR lines become very narrow even for grossly inhomogeneous measurement fields. Additional signal to noise benefits are obtained by use of a low noise polarization coil, comprising litz wire or superconducting materials. MRI in ultralow magnetic field is based on the NMR at ultralow fields. Gradient magnetic fields are applied, and images are constructed from the detected NMR signals.

  13. A multinuclear static NMR study of geopolymerisation

    SciTech Connect

    Favier, Aurélie; Habert, Guillaume; Roussel, Nicolas; D'Espinose de Lacaillerie, Jean-Baptiste

    2015-09-15

    Geopolymers are inorganic binders obtained by alkali activation of aluminosilicates. While the structure of geopolymers is now well understood, the details of the geopolymerisation reaction and their impact on the rheology of the paste remain uncertain. In this work, we follow the elastic properties of a paste made with metakaolin and sodium silicate solution. After the first sharp increase of elastic modulus occurring a few hundred of seconds after mixing and related to the heterogeneous formation of an alumina–silicate gel with a molar ratio Si/Al < 4 located at the grains boundaries, we focus on the progressive increase in elastic modulus on a period of few hours during the setting of the geopolymer. In this study, we combine the study of rheological properties of the paste with {sup 23}Na, {sup 27}Al and {sup 29}Si static NMR measurement in order to better understand the origin of this second increase in elastic modulus. Our results show that, after a few hours, Al and Na evolution in the liquid phase are concomitant. This suggests the precipitation of an aluminosilicate phase where Al is in tetrahedral position and Na compensates the charge. Furthermore, Si speciation confirms this result and allows us to identify the precipitation of a product, which has a chemical composition close to the final composition of geopolymer. This study provides strong evidence for a heterogeneous formation of an aluminosilicate glass directly from the first gel and the silicate solution without the need for a reorganisation of Gel 1 into Gel 2.

  14. NMR of lignins

    Treesearch

    John Ralph; Larry L. Landucci

    2010-01-01

    This chapter will consider the basic aspects and findings of several forms of NMR spectroscopy, including separate discussions of proton, carbon, heteronuclear, and multidimensional NMR. Enhanced focus will be on 13C NMR, because of its qualitative and quantitative importance, followed by NMR’s contributions to our understanding of lignin...

  15. NMR analysis of biodiesel

    USDA-ARS?s Scientific Manuscript database

    Biodiesel is usually analyzed by the various methods called for in standards such as ASTM D6751 and EN 14214. Nuclear magnetic resonance (NMR) is not one of these methods. However, NMR, with 1H-NMR commonly applied, can be useful in a variety of applications related to biodiesel. These include monit...

  16. NMR Imaging of Elastomeric Materials

    DTIC Science & Technology

    1992-08-31

    1991, 10, 59. (Ill Cory, D.G., Miller, J.B., 7Turner, R., Garroway , A.N., Mol. Phys. 1990, 70, 331-7 [121 Jezzard, P., Carpenter, T.A., Hall, L.D.{Polym...SPE Paper 18272, 63rd Annual Technical Conference and Exhibition, Houston, TX, Oct. 2-5, 1988. 9. D.G. Cory, J.B. Miller, R. Turner, and A.N. Garroway ...B.; Turner, R.; Garroway , A. N. Mol. as the cause of the arrowhead artifacts. We thank An- Phys. I", 70, 331. nadell Fowler and John Pearce for

  17. Squid detected NMR and MRI at ultralow fields

    DOEpatents

    Clarke, John; Pines, Alexander; McDermott, Robert F.; Trabesinger, Andreas H.

    2008-12-16

    Nuclear magnetic resonance (NMR) signals are detected in microtesla fields. Prepolarization in millitesla fields is followed by detection with an untuned dc superconducting quantum interference device (SQUID) magnetometer. Because the sensitivity of the SQUID is frequency independent, both signal-to-noise ratio (SNR) and spectral resolution are enhanced by detecting the NMR signal in extremely low magnetic fields, where the NMR lines become very narrow even for grossly inhomogeneous measurement fields. MRI in ultralow magnetic field is based on the NMR at ultralow fields. Gradient magnetic fields are applied, and images are constructed from the detected NMR signals.

  18. Squid detected NMR and MRI at ultralow fields

    DOEpatents

    Clarke, John; McDermott, Robert; Pines, Alexander; Trabesinger, Andreas Heinz

    2007-05-15

    Nuclear magnetic resonance (NMR) signals are detected in microtesla fields. Prepolarization in millitesla fields is followed by detection with an untuned dc superconducting quantum interference device (SQUID) magnetometer. Because the sensitivity of the SQUID is frequency independent, both signal-to-noise ratio (SNR) and spectral resolution are enhanced by detecting the NMR signal in extremely low magnetic fields, where the NMR lines become very narrow even for grossly inhomogeneous measurement fields. MRI in ultralow magnetic field is based on the NMR at ultralow fields. Gradient magnetic fields are applied, and images are constructed from the detected NMR signals.

  19. Squid detected NMR and MRI at ultralow fields

    DOEpatents

    Clarke, John; McDermott, Robert; Pines, Alexander; Trabesinger, Andreas Heinz

    2006-05-30

    Nuclear magnetic resonance (NMR) signals are detected in microtesla fields. Prepolarization in millitesla fields is followed by detection with an untuned dc superconducting quantum interference device (SQUID) magnetometer. Because the sensitivity of the SQUID is frequency independent, both signal-to-noise ratio (SNR) and spectral resolution are enhanced by detecting the NMR signal in extremely low magnetic fields, where the NMR lines become very narrow even for grossly inhomogeneous measurement fields. MRI in ultralow magnetic field is based on the NMR at ultralow fields. Gradient magnetic fields are applied, and images are constructed from the detected NMR signals.

  20. SQUID detected NMR and MRI at ultralow fields

    DOEpatents

    Clarke, John; McDermott, Robert; Pines, Alexander; Trabesinger, Andreas Heinz

    2006-10-03

    Nuclear magnetic resonance (NMR) signals are detected in microtesla fields. Prepolarization in millitesla fields is followed by detection with an untuned dc superconducting quantum interference device (SQUID) magnetometer. Because the sensitivity of the SQUID is frequency independent, both signal-to-noise ratio (SNR) and spectral resolution are enhanced by detecting the NMR signal in extremely low magnetic fields, where the NMR lines become very narrow even for grossly inhomogeneous measurement fields. MRI in ultralow magnetic field is based on the NMR at ultralow fields. Gradient magnetic fields are applied, and images are constructed from the detected NMR signals.

  1. On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water.

    PubMed

    Carof, Antoine; Salanne, Mathieu; Charpentier, Thibault; Rotenberg, Benjamin

    2015-11-21

    Nuclear Magnetic Resonance (NMR) relaxation is sensitive to the local structure and dynamics around the probed nuclei. The Electric Field Gradient (EFG) is the key microscopic quantity to understand the NMR relaxation of quadrupolar ions, such as (7)Li(+), (23)Na(+), (25)Mg(2+), (35)Cl(-), (39)K(+), or (133)Cs(+). Using molecular dynamics simulations, we investigate the statistical and dynamical properties of the EFG experienced by alkaline, alkaline Earth, and chloride ions at infinite dilution in water. Specifically, we analyze the effect of the ionic charge and size on the distribution of the EFG tensor and on the multi-step decay of its auto-correlation function. The main contribution to the NMR relaxation time arises from the slowest mode, with a characteristic time on the picosecond time scale. The first solvation shell of the ion plays a dominant role in the fluctuations of the EFG, all the more that the ion radius is small and its charge is large. We propose an analysis based on a simplified charge distribution around the ion, which demonstrates that the auto-correlation of the EFG, hence the NMR relaxation time, reflects primarily the collective translational motion of water molecules in the first solvation shell of the cations. Our findings provide a microscopic route to the quantitative interpretation of NMR relaxation measurements and open the way to the design of improved analytical theories for NMR relaxation for small ionic solutes, which should focus on water density fluctuations around the ion.

  2. On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water

    NASA Astrophysics Data System (ADS)

    Carof, Antoine; Salanne, Mathieu; Charpentier, Thibault; Rotenberg, Benjamin

    2015-11-01

    Nuclear Magnetic Resonance (NMR) relaxation is sensitive to the local structure and dynamics around the probed nuclei. The Electric Field Gradient (EFG) is the key microscopic quantity to understand the NMR relaxation of quadrupolar ions, such as 7Li+, 23Na+, 25Mg2+, 35Cl-, 39K+, or 133Cs+. Using molecular dynamics simulations, we investigate the statistical and dynamical properties of the EFG experienced by alkaline, alkaline Earth, and chloride ions at infinite dilution in water. Specifically, we analyze the effect of the ionic charge and size on the distribution of the EFG tensor and on the multi-step decay of its auto-correlation function. The main contribution to the NMR relaxation time arises from the slowest mode, with a characteristic time on the picosecond time scale. The first solvation shell of the ion plays a dominant role in the fluctuations of the EFG, all the more that the ion radius is small and its charge is large. We propose an analysis based on a simplified charge distribution around the ion, which demonstrates that the auto-correlation of the EFG, hence the NMR relaxation time, reflects primarily the collective translational motion of water molecules in the first solvation shell of the cations. Our findings provide a microscopic route to the quantitative interpretation of NMR relaxation measurements and open the way to the design of improved analytical theories for NMR relaxation for small ionic solutes, which should focus on water density fluctuations around the ion.

  3. WHNMR--a universal NMR application package.

    PubMed

    Xiaodong, Z; Hongbin, H; Nian, H; Lianfang, S; Chaohui, Y

    1996-06-01

    A PC-based NMR off-line data processing system is developed and described in detail. With this software system, one-dimensional (1D), two-dimensional (2D), and NMR imaging (MRI) data can be processed easily, and give reliable results. By the applications of this system, a versatile software interface is set up to achieve data exchanging and integrated usage with other PC application software and aids the PC to become an effective and powerful workstation.

  4. Quantitative sodium magnetic resonance imaging of cartilage, muscle, and tendon

    PubMed Central

    Tarbox, Grayson J.; Taylor, Meredith D.; Kaggie, Joshua D.

    2016-01-01

    Sodium magnetic resonance imaging (MRI), or imaging of the 23Na nucleus, has been under exploration for several decades, and holds promise for potentially revealing additional biochemical information about the health of tissues that cannot currently be obtained from conventional hydrogen (or proton) MRI. This additional information could serve as an important complement to conventional MRI for many applications. However, despite these exciting possibilities, sodium MRI is not yet used routinely in clinical practice, and will likely remain strictly in the domain of exploratory research for the coming decade. This paper begins with a technical overview of sodium MRI, including the nuclear magnetic resonance (NMR) signal characteristics of the sodium nucleus, the challenges associated with sodium MRI, and the specialized pulse sequences, hardware, and reconstruction techniques required. Various applications of sodium MRI for quantitative analysis of the musculoskeletal system are then reviewed, including the non-invasive assessment of cartilage degeneration in vivo, imaging of tendinopathy, applications in the assessment of various muscular pathologies, and assessment of muscle response to exercise. PMID:28090447

  5. Applications of NMR spectroscopy to systems biochemistry.

    PubMed

    Fan, Teresa W-M; Lane, Andrew N

    2016-02-01

    The past decades of advancements in NMR have made it a very powerful tool for metabolic research. Despite its limitations in sensitivity relative to mass spectrometric techniques, NMR has a number of unparalleled advantages for metabolic studies, most notably the rigor and versatility in structure elucidation, isotope-filtered selection of molecules, and analysis of positional isotopomer distributions in complex mixtures afforded by multinuclear and multidimensional experiments. In addition, NMR has the capacity for spatially selective in vivo imaging and dynamical analysis of metabolism in tissues of living organisms. In conjunction with the use of stable isotope tracers, NMR is a method of choice for exploring the dynamics and compartmentation of metabolic pathways and networks, for which our current understanding is grossly insufficient. In this review, we describe how various direct and isotope-edited 1D and 2D NMR methods can be employed to profile metabolites and their isotopomer distributions by stable isotope-resolved metabolomic (SIRM) analysis. We also highlight the importance of sample preparation methods including rapid cryoquenching, efficient extraction, and chemoselective derivatization to facilitate robust and reproducible NMR-based metabolomic analysis. We further illustrate how NMR has been applied in vitro, ex vivo, or in vivo in various stable isotope tracer-based metabolic studies, to gain systematic and novel metabolic insights in different biological systems, including human subjects. The pathway and network knowledge generated from NMR- and MS-based tracing of isotopically enriched substrates will be invaluable for directing functional analysis of other 'omics data to achieve understanding of regulation of biochemical systems, as demonstrated in a case study. Future developments in NMR technologies and reagents to enhance both detection sensitivity and resolution should further empower NMR in systems biochemical research. Copyright © 2016

  6. Calibration of NMR well logs from carbonate reservoirs with laboratory NMR measurements and μXRCT

    SciTech Connect

    Mason, Harris E.; Smith, Megan M.; Hao, Yue; Carroll, Susan A.

    2014-12-31

    The use of nuclear magnetic resonance (NMR) well log data has the potential to provide in-situ porosity, pore size distributions, and permeability of target carbonate CO₂ storage reservoirs. However, these methods which have been successfully applied to sandstones have yet to be completely validated for carbonate reservoirs. Here, we have taken an approach to validate NMR measurements of carbonate rock cores with independent measurements of permeability and pore surface area to volume (S/V) distributions using differential pressure measurements and micro X-ray computed tomography (μXRCT) imaging methods, respectively. We observe that using standard methods for determining permeability from NMR data incorrectly predicts these values by orders of magnitude. However, we do observe promise that NMR measurements provide reasonable estimates of pore S/V distributions, and with further independent measurements of the carbonate rock properties that universally applicable relationships between NMR measured properties may be developed for in-situ well logging applications of carbonate reservoirs.

  7. Decay Properties of {sup 266}Bh and {sup 262}Db Produced in the {sup 248}Cm+{sup 23}Na Reaction - Further Confirmation of the {sup 278}113 Decay Chain

    SciTech Connect

    Morita, K.; Morimoto, K.; Kaji, D.; Haba, H.; Ozeki, K.; Kudou, Y.; Yoneda, A.; Ichikawa, T.; Katori, K.; Yoshida, A.; Sato, N.; Sumita, T.; Fujimori, Y.; Tokanai, F.; Goto, S.; Ideguchi, E.; Kasamatsu, Y.; Koura, H.; Tsukada, K.; Komori, Y.

    2010-06-01

    Decay properties of an isotope {sup 266}Bh and its daughter nucleus {sup 262}Db produced by the {sup 248}Cm({sup 23}Na,5n) reaction were studied by using a gas-filled recoil separator coupled with a position-sensitive semiconductor detector. {sup 266}Bh was clearly identified from the correlation of the known nuclide, {sup 262}Db. The obtained decay properties of {sup 266}Bh and {sup 262}Db are consistent with those observed in the {sup 278}113 chain by RIKEN collaboration, which provided further confirmation of the discovery of {sup 278}113.

  8. Dosimetry of {sup 60}Co and {sup 192}Ir gamma-irradiated agarose gels by proton relaxation time measurement and NMR imaging, in a 0-100 Gy dose range

    SciTech Connect

    Chalansonnet, A.; Briguet, A.; Bonnat, J.L.

    1997-05-01

    Localized irradiation of the skin and subcutaneous tissues with large single doses of gamma rays can induce immediate effects characterized by erythema, desquamation, and necrosis. Correlations between the evolution of the lesions and dosimetry studies have to be established by biophysical methods. NMR studies of the effects of an irradiated Fricke solution might be a means of controlling the delivered irradiation doses. After exposition to ionizing radiations, ferrous ions are transformed into ferric ions. Both are paramagnetic ions, and proton spin-lattice relaxation is accelerated depending on the oxidation reaction. In this study, solution of ammonium ferrous sulfate in an acid environment was incorporated into a gelling substance made with agarose, so that T{sub 1} weighted image contrast could be used to detect ferric ion formation. Experiments with {sup 192}Ir and {sup 90}Co gamma rays with doses in the 0 to 100 Gy range were conducted with Fe{sup 2+} concentrations of 0.5, 1, 1.5, and 2 mM in a gelling substance containing 4% agarose. A relationship was established between the amount of Fe{sup 3+} created and the spin-lattice proton relaxation rate, which led to a straightforward dose-effect relation. The use of such high doses allowed us to reproduce realistic conditions of accidental overexposure. A linear relationship was obtained between the doses absorbed and the NMR parameters measured (T{sub 1} and relative image intensity). 17 refs., 3 figs., 1 tab.

  9. NMR studies of hydrofluorocarbon-cation interactions and cation migrations on adsorption of hydrofluorocarbon-134 on zeolites NaY and CsY

    SciTech Connect

    Grey, C.P.; Poshni, F.I.; Ba, Y.; Corbin, D.R.

    1996-12-31

    Unlike the syntheses of the CFC refrigerants and blowing agents, the syntheses of the more environmentally-friendly hydrofluorocarbons (HFCs) are more complex, and involve many more steps. Unwanted HFC/hydrochlorofluorocarbons (HCFCs) are often produced during the reactions and the purification of the products remains a concern. {sup 23}Na and {sup 23}Na/{sup 19}F double resonance MAS NMR methods have been used to study the binding of hydrofluorocarbon-134 (CF{sub 2}HCF{sub 2}H) in zeolites NaY and CsY. The interaction of HFC-134 with the sodium cations is so strong that the sodium cations in the sodalite cages (site I{prime}) migrate into the supercages to bind to the hydrofluorocarbon molecules.

  10. Lectures on pulsed NMR

    SciTech Connect

    Pines, A.

    1988-08-01

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

  11. Lectures on pulsed NMR

    SciTech Connect

    Pines, A.

    1986-09-01

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

  12. Rotary echo nutation NMR

    NASA Astrophysics Data System (ADS)

    Janssen, R.; Tijink, G. A. H.; Veeman, W. S.

    1988-01-01

    A two-dimensional solid state NMR experiment which combines rotary echoes and nutation NMR is investigated and used to study different sodium sites in zeolite NaA. It is shown that with this technique sodium ions with different relaxation rates in the rotating frame can be distinguished.

  13. Hyperpolarized Xenon for NMR and MRI Applications

    PubMed Central

    Witte, Christopher; Kunth, Martin; Döpfert, Jörg; Rossella, Federica; Schröder, Leif

    2012-01-01

    Nuclear magnetic resonance (NMR) spectroscopy and imaging (MRI) suffer from intrinsic low sensitivity because even strong external magnetic fields of ~10 T generate only a small detectable net-magnetization of the sample at room temperature 1. Hence, most NMR and MRI applications rely on the detection of molecules at relative high concentration (e.g., water for imaging of biological tissue) or require excessive acquisition times. This limits our ability to exploit the very useful molecular specificity of NMR signals for many biochemical and medical applications. However, novel approaches have emerged in the past few years: Manipulation of the detected spin species prior to detection inside the NMR/MRI magnet can dramatically increase the magnetization and therefore allows detection of molecules at much lower concentration 2. Here, we present a method for polarization of a xenon gas mixture (2-5% Xe, 10% N2, He balance) in a compact setup with a ca. 16000-fold signal enhancement. Modern line-narrowed diode lasers allow efficient polarization 7 and immediate use of gas mixture even if the noble gas is not separated from the other components. The SEOP apparatus is explained and determination of the achieved spin polarization is demonstrated for performance control of the method. The hyperpolarized gas can be used for void space imaging, including gas flow imaging or diffusion studies at the interfaces with other materials 8,9. Moreover, the Xe NMR signal is extremely sensitive to its molecular environment 6. This enables the option to use it as an NMR/MRI contrast agent when dissolved in aqueous solution with functionalized molecular hosts that temporarily trap the gas 10,11. Direct detection and high-sensitivity indirect detection of such constructs is demonstrated in both spectroscopic and imaging mode. PMID:22986346

  14. NMR logging apparatus

    SciTech Connect

    Walsh, David O; Turner, Peter

    2014-05-27

    Technologies including NMR logging apparatus and methods are disclosed. Example NMR logging apparatus may include surface instrumentation and one or more downhole probes configured to fit within an earth borehole. The surface instrumentation may comprise a power amplifier, which may be coupled to the downhole probes via one or more transmission lines, and a controller configured to cause the power amplifier to generate a NMR activating pulse or sequence of pulses. Impedance matching means may be configured to match an output impedance of the power amplifier through a transmission line to a load impedance of a downhole probe. Methods may include deploying the various elements of disclosed NMR logging apparatus and using the apparatus to perform NMR measurements.

  15. UC Merced NMR Instrumentation Acquisition

    DTIC Science & Technology

    2015-06-18

    UC Merced NMR Instrumentation Acquisition For the UC Merced NMR Instrumentation Acquisition proposal, a new 400 MHz and an upgraded 500 MHz NMR ...UC Merced NMR Instrumentation Acquisition Report Title For the UC Merced NMR Instrumentation Acquisition proposal, a new 400 MHz and an upgraded 500...MHz NMR have been delivered, installed, and incorporated into research and two lab courses. While no results from these instruments have been

  16. 3D correlation NMR spectrum between three distinct heteronuclei for the characterization of inorganic samples: Application on sodium alumino-phosphate materials.

    PubMed

    Nagashima, Hiroki; Tricot, Grégory; Trébosc, Julien; Lafon, Olivier; Amoureux, Jean-Paul; Pourpoint, Frédérique

    2017-03-22

    We report here an original NMR sequence allowing the acquisition of 3D correlation NMR spectra between three distinct heteronuclei, among which two are half-integer spin quadrupolar nuclei. Furthermore, as two of them exhibit close Larmor frequency, this experiment was acquired using a standard triple-resonance probe equipped with a commercial frequency splitter. This NMR technique was tested and applied to sodium alumino-phosphate compounds with (31)P as the spin-1/2 nucleus and (23)Na and (27)Al as the close Larmor frequencies isotopes. To the best of our knowledge, such experiment with direct (31)P and indirect (27)Al and (23)Na detection is the first example of 3D NMR experiment in solids involving three distinct heteronuclei. This sequence has first been demonstrated on a mixture of Al(PO3)3 and NaAlP2O7 crystalline phases, for which a selective observation of NaAlP2O7 is possible through the 3D map edition. This 3D correlation experiment is then applied to characterize mixing and phase segregation in a partially devitrified glass that has been proposed as a material for the sequestration of radioactive waste. The (31)P-{(23)Na,(27)Al} 3D experiment conducted on the partially devitrified glass material conclusively demonstrates that the amorphous component of the material does not contain aluminum. The as-synthesized material thus presents a poor resistance against water, which is a severe limitation for its application in the radioactive waste encapsulation domain.

  17. A double-tuned (1)H/(23)Na dual resonator system for tissue sodium concentration measurements in the rat brain via Na-MRI.

    PubMed

    Wetterling, Friedrich; Tabbert, Martin; Junge, Sven; Gallagher, Lindsay; Macrae, I Mhairi; Fagan, Andrew J

    2010-12-21

    A method for quantifying the tissue sodium concentration (TSC) in the rat brain from ²³Na-MR images was developed. TSC is known to change in a variety of common human diseases and holds considerable potential to contribute to their study; however, its accurate measurement in small laboratory animals has been hindered by the extremely low signal to noise ratio (SNR) in ²³Na images. To address this, the design, construction and characterization of a double-tuned ¹H/²³Na dual resonator system for ¹H-guided quantitative ²³Na-MRI are described. This system comprises an SNR-optimized surface detector coil for ²³Na image acquisition, and a volume resonator producing a highly homogeneous B₁ field (<5% inhomogeneity) for the Na channel across the rat head. The resonators incorporated channel-independent balanced matching and tuning capabilities with active decoupling circuitry at the ²³Na resonance frequency. A quantification accuracy of TSC of <10 mM was achieved in Na-images with 1.2 µl voxel resolution acquired in 10 min. The potential of the quantification technique was demonstrated in an in vivo experiment of a rat model of cerebral stroke, where the evolution of the TSC was successfully monitored for 8 h after the stroke was induced.

  18. Topotactic transformations of sodalite cages: synthesis and NMR study of mixed salt-free and salt-bearing sodalites.

    PubMed

    Trill, Henning; Eckert, Hellmut; Srdanov, Vojislav I

    2002-07-17

    A series of mixed sodalite samples, Na(8)[Al(6)Si(6)O(24)]Br(x).(H(3)O(2))(2-x), with the unit cell stoichiometries varying in the 0 < x <2 region, was made by hydrothermal synthesis and subsequently transformed into Na(6+x)[Al(6)Si(6)O(24)]Br(x).(4H(2)O)(2-x) and Na(6+x)[Al(6)Si(6)O(24)]Br(x).circle(2-x) sodalites. Here, circle refers to an empty sodalite cage. The three series, referred hereafter to as the Br/basic, Br/hydro, and Br/dry series, were characterized by powder diffraction X-ray and by (23)Na, (27)Al, and (81)Br magic angle spinning (MAS) NMR and high-resolution triple quantum (TQ) MAS NMR spectroscopy. We determined that incorporation of Br(-) anions is 130 times more preferred than incorporation of H(3)O(2)(-) anions during the formation of sodalite cages, which permitted precise control of the halide content in the solid. Monotonic trends in chemical shifts were observed as a function of cage occupancy, reflecting continuous changes in structural parameters. A linear correlation between (81)Br chemical shift and lattice constant with a slope of -86 ppm/A was observed for all three series. Likewise, (23)Na chemical shifts for Na(+) cations in salt-bearing sodalite cages correlate linearly with the lattice constant. Both results indicate a universal dependence of the (23)Na and (81)Br chemical shifts on the Na-Br distance. The (27)Al chemical shifts of Br/basic and Br/hydro sodalites obey an established relation between delta(cs) and the average T-O-T bond angle of 0.72 ppm/degrees. Br/dry sodalites show two aluminum resonances, characterized by significantly different chemical shifts and quadrupolar interaction parameters. In that series, local symmetry distortions are evident from strong quadrupolar perturbations in the NMR spectra. P(Q) values for (27)Al vary between 0.8 MHz in Br/basic sodalites and 4.4 MHz in the Br/dry series caused by deviations from the tetrahedral symmetry of the salt-free sodalite cages. For (23)Na, P(Q) values of 0.8, 0

  19. Oxygen-17 NMR in solids by dynamic-angle spinning and double rotation

    NASA Astrophysics Data System (ADS)

    Chmelka, B. F.; Mueller, K. T.; Pines, A.; Stebbins, J.; Wu, Y.; Zwanziger, J. W.

    1989-05-01

    IT is widely lamented that despite its unqualified success with spin-1/2 nuclei such as 13C, 29Si and31P, the popular NMR technique of magic-angle spinning (MAS) has experienced a somewhat restricted applicability among quadrupolar nuclei such as 17O, 23Na and 27A1 (refs 1-3). The resolution in the central (1/2 lrarr-1/2) transition of these non-integer quadrupolar spins under MAS is thought to be limited primarily by second-order quadrupolar broadening. Such effects of second-order spatial anisotropy cannot be eliminated by rotation about a fixed axis or by multiple-pulse techniques4,5. More general mechanisms of sample reorientation (refs 6-8 and A. Samoson and A. Pines, manuscript in preparation) can, however, make high-resolution NMR of quadrupolar nuclei feasible. MAS is implemented by spinning a sample about a single axis so that second-rank spherical harmonics (which give rise to first-order broadening through anisotropy of electrical and magnetic interactions) are averaged away. But dynamic-angle-spinning (DAS) and double-rotation (DOR) NMR involve spinning around two axes, averaging away both the second- and fourth-rank spherical harmonics, which are responsible for second-order broadening. Here we present the application of these new techniques to 17O in two minerals, cristobalite (SiO2) and diopside (CaMgSi2O6). This work goes beyond previous results on 23Na (ref. 8) by showing the first experimental results using DAS and by demonstrating the application of DOR to the resolution of distinct oxygen sites in an important class of oxide materials.

  20. Solid-state NMR in the analysis of drugs and naturally occurring materials.

    PubMed

    Paradowska, Katarzyna; Wawer, Iwona

    2014-05-01

    This article presents some of the solid-state NMR (SSNMR) techniques used in the pharmaceutical and biomedical research. Solid-state magic angle spinning (MAS) NMR provides structural information on powder amorphous solids for which single-crystal diffraction structures cannot be obtained. NMR is non-destructive; the powder sample may be used for further studies. Quantitative results can be obtained, although solid-state NMR spectra are not normally quantitative. As compared with other techniques, MAS NMR is insensitive and requires a significant amount of the powder sample (2-100mg) to fill the 1.3-7 mm ZrO2 rotor. This is its main drawback, since natural compounds isolated from plants, microorganisms or cell cultures are difficult to obtain in quantities higher than a few milligrams. Multinuclear MAS NMR routinely uses (1)H and (13)C nuclei, less frequently (15)N, (19)F, (31)P, (77)Se, (29)Si, (43)Ca or (23)Na. The article focuses on the pharmaceutical applications of SSNMR, the studies were aimed to control over manufacturing processes (e.g. crystallization and milling) investigation of chemical and physical stability of solid forms both as pure drug and in a formulated product. SSNMR is used in combination with some other analytical methods (DSC, XRD, FT-IR) and theoretical calculations of NMR parameters. Biologically active compounds, such as amino acids and small peptides, steroids and flavonoids were studied by SSNMR methods (part 4) providing valuable structural information. The SSNMR experiments performed on biopolymers and large natural products like proteins, cellulose and lipid layers are commented upon briefly in part 5. Copyright © 2013 Elsevier B.V. All rights reserved.

  1. Renal transplant NMR

    SciTech Connect

    Velchik, M.G.; Kressel, H.; Thickman, D.; Alavi, A.

    1985-05-01

    The preliminary results of NMR evaluation of renal transplants (Txs) are reported including correlation with nuclear medicine (NM) and ultrasound (US). Thirteen Txs (8 cadaver (Cd), 5 living related doner (LRD) in 13 patients (6M, 7F) ranging in age from 25-47 (x 35) were evaluated by NM (32), NMR (15) and US (5). Clinical diagnoses included: rejection (8), ATN (2), infarction (1), and normal (2). Of the 8 patients with rejection (5) Cd; 3 LRD) pathologic proof was obtained in 3. An experimental 0.12 T resistive magnet (GE) was used with a partial saturation technique with repetition time (TR) of 143 and 286 msec to provide T1 weighting. T2 weighted information was obtained with a spin echo technique with echo times (TE) of 20, 40, 60 and 80 msec. The NMR appearance of normal Txs consisted of a uniform signal intensity (Tx> pelvic musculature), well-defined internal architecture with good cortical medullary differentiation and normal appearing vessels. The NMR appearance of abnormal transplants consisted of a heterogeneous or overall decrease in signal intensity (kidney muscle) with poor cortical medullary differentiation with or without a halo of decreased signal intensity. Although NMR was able to differentiate normal from abnormal, it was unable to clearly discriminate between ATN and rejection. Advantages of NMR included the ability to demonstrate regional anatomy, vasculature, post operative fluid collections and hematomas, and associated avascular necrosis of the hips.

  2. Picoliter H-1 NMR Spectroscopy

    SciTech Connect

    Minard, Kevin R. ); Wind, Robert A. )

    2002-02-01

    A RF probe that fits inside the bore of a small gradient coil package is described for routine 1H-NMR microscopy measurements on small samples. The probe operates at 500 MHz and houses a 267-um-diameter solenoid transceiver. When used in three dimensional chemical shift imaging (3D-CSI) experiments, the measured signal-to-noise ratio (SNR) is shown to be within 20-30 percent of theoretical limits formulated by only considering the solenoid's resistive losses. This is illustrated using a 100-um-diameter globule of triacylglycerols ({approx}900mM) that may be an oocyte precursor in young Xenopus Laevis frogs, and water sample containing choline at a concentration often found in live cells ({approx}33mM). In chemical shift images generated using a few thousand scans, the choline methyl line is found to have an acceptable SNR in resolved from just 5 picoliters in the Xenopus globule. It is concluded that the probe's sensitivity is sufficient for performing 1H-NMR on picoliter-scale volumes in biological cells and tissues.

  3. High radio-frequency field strength nutation NMR of quadrupolar nuclei

    NASA Astrophysics Data System (ADS)

    Franssen, W. M. J.; Rezus, Y. L. A.; Kentgens, A. P. M.

    2016-12-01

    Owing to the introduction of microcoils, high RF field strength nutation NMR is a viable candidate for the study of quadrupolar nuclei with strong quadrupolar couplings, not accessible using contemporary NMR techniques. We show powder 23 Na nutation spectra on sodium nitrite for RF field strengths of up to 1170 kHz, that conform to theoretical predictions. For lanthanum fluoride powder, 139 La nutation spectra taken at elevated RF field amplitudes show clear discrepancies when compared to the theory. These errors are shown to be mainly caused by pulse transients at the end of the pulse, which proved to be detrimental to the shape of the nutation spectra. Using a nutation pulse which ends in a sudden frequency jump, we show that these errors can be reduced, and nutation spectra that conform to theory can be readily acquired. This enables nutation NMR for the study of quadrupolar nuclei with a strong quadrupolar coupling, bridging the gap between NMR, which can only analyse nuclei with a weak to medium quadrupolar coupling, and NQR, were extensive searching for the right quadrupolar frequency is the limiting factor.

  4. 1H NMR spin-spin relaxation and imaging in porous systems: an application to the morphological study of white portland cement during hydration in the presence of organics.

    PubMed

    Gussoni, M; Greco, F; Bonazzi, F; Vezzoli, A; Botta, D; Dotelli, G; Natali Sora, I; Pelosato, R; Zetta, L

    2004-07-01

    Proton nuclear magnetic resonance (NMR) spin-spin relaxation and imaging have been applied to investigate white Portland cement pastes during hydration in the absence and in the presence of organic solvents. The main organic solvent investigated was methanol, alone or together with the organic waste 2-chloroaniline (2-CA), an aromatic amine representative of an important class of highly toxic compounds. For all the analysed samples, prepared with a solvent-to-cement ratio of 0.4, the decay of the echo magnetization has been fitted by adopting a model that combines an exponential component with a gaussian one. The calculated independent relaxation parameters have been discussed in terms of morphological and dynamical changes that occur during the cement hardening process and pore formation. Three kinds of water molecules: "solid-like" (chemically and physically bound), "liquid-like" (porous trapped) and "free" water, endowed with anisotropic, near isotropic and isotropic motion, respectively, were identified. Spin-echo images collected on the same samples during the hydration kinetics, allowed the changes of water and solvents spatial distribution in the porous network to be monitored, showing percolation phenomena and confirming the multimodal open channels structure of the hardened cement system. Both T(2) relaxation and imaging data indicated that a pronounced delay occurs in the cement hardening when organics are present.

  5. The Effect of Magnetic Field Inhomogeneity on the Transverse Relaxation of Quadrupolar Nuclei Measured by Multiple Quantum Filtered NMR

    NASA Astrophysics Data System (ADS)

    Eliav, U.; Kushnir, T.; Knubovets, T.; Itzchak, Y.; Navon, G.

    1997-09-01

    The effects of magnetic fieldsB0andB1inhomogeneities on techniques which are commonly used for the measurements of triple-quantum-filtered (TQF) NMR spectroscopy of23Na in biological tissues are analyzed. The results of measurements by pulse sequences with and without refocusing ofB0inhomogeneities are compared. It is shown that without refocusing the errors in the measurement of the transverse relaxation times by TQF NMR spectroscopy may be as large as 100%, and thus, refocusing of magnetic field inhomogeneity is mandatory. Theoretical calculations demonstrate that without refocusingB0inhomogeneities the spectral width and phase depend on the interpulse time intervals, thus, leading to errors in the measured relaxation times. It is shown that pulse sequences that were used for the refocusing of the magnetic field (B0) inhomogeneity also reduce the sensitivity of the experimental results to radiofrequency (B1) magnetic field inhomogeneity.

  6. Tracking Sodium-Antimonide Phase Transformations in Sodium-Ion Anodes: Insights from Operando Pair Distribution Function Analysis and Solid-State NMR Spectroscopy.

    PubMed

    Allan, Phoebe K; Griffin, John M; Darwiche, Ali; Borkiewicz, Olaf J; Wiaderek, Kamila M; Chapman, Karena W; Morris, Andrew J; Chupas, Peter J; Monconduit, Laure; Grey, Clare P

    2016-02-24

    Operando pair distribution function (PDF) analysis and ex situ (23)Na magic-angle spinning solid-state nuclear magnetic resonance (MAS ssNMR) spectroscopy are used to gain insight into the alloying mechanism of high-capacity antimony anodes for sodium-ion batteries. Subtraction of the PDF of crystalline NaxSb phases from the total PDF, an approach constrained by chemical phase information gained from (23)Na ssNMR in reference to relevant model compounds, identifies two previously uncharacterized intermediate species formed electrochemically; a-Na(3-x)Sb (x ≈ 0.4-0.5), a structure locally similar to crystalline Na3Sb (c-Na3Sb) but with significant numbers of sodium vacancies and a limited correlation length, and a-Na(1.7)Sb, a highly amorphous structure featuring some Sb-Sb bonding. The first sodiation breaks down the crystalline antimony to form first a-Na(3-x)Sb and, finally, crystalline Na3Sb. Desodiation results in the formation of an electrode formed of a composite of crystalline and amorphous antimony networks. We link the different reactivity of these networks to a series of sequential sodiation reactions manifesting as a cascade of processes observed in the electrochemical profile of subsequent cycles. The amorphous network reacts at higher voltages reforming a-Na(1.7)Sb, then a-Na(3-x)Sb, whereas lower potentials are required for the sodiation of crystalline antimony, which reacts to form a-Na(3-x)Sb without the formation of a-Na(1.7)Sb. a-Na(3-x)Sb is converted to crystalline Na3Sb at the end of the second discharge. We find no evidence of formation of NaSb. Variable temperature (23)Na NMR experiments reveal significant sodium mobility within c-Na3Sb; this is a possible contributing factor to the excellent rate performance of Sb anodes.

  7. Feasibility of high-resolution one-dimensional relaxation imaging at low magnetic field using a single-sided NMR scanner applied to articular cartilage

    NASA Astrophysics Data System (ADS)

    Rössler, Erik; Mattea, Carlos; Stapf, Siegfried

    2015-02-01

    Low field Nuclear Magnetic Resonance increases the contrast of the longitudinal relaxation rate in many biological tissues; one prominent example is hyaline articular cartilage. In order to take advantage of this increased contrast and to profile the depth-dependent variations, high resolution parameter measurements are carried out which can be of critical importance in an early diagnosis of cartilage diseases such as osteoarthritis. However, the maximum achievable spatial resolution of parameter profiles is limited by factors such as sensor geometry, sample curvature, and diffusion limitation. In this work, we report on high-resolution single-sided NMR scanner measurements with a commercial device, and quantify these limitations. The highest achievable spatial resolution on the used profiler, and the lateral dimension of the sensitive volume were determined. Since articular cartilage samples are usually bent, we also focus on averaging effects inside the horizontally aligned sensitive volume and their impact on the relaxation profiles. Taking these critical parameters into consideration, depth-dependent relaxation time profiles with the maximum achievable vertical resolution of 20 μm are discussed, and are correlated with diffusion coefficient profiles in hyaline articular cartilage in order to reconstruct T2 maps from the diffusion-weighted CPMG decays of apparent relaxation rates.

  8. On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water

    SciTech Connect

    Carof, Antoine; Salanne, Mathieu; Rotenberg, Benjamin; Charpentier, Thibault

    2015-11-21

    Nuclear Magnetic Resonance (NMR) relaxation is sensitive to the local structure and dynamics around the probed nuclei. The Electric Field Gradient (EFG) is the key microscopic quantity to understand the NMR relaxation of quadrupolar ions, such as {sup 7}Li{sup +}, {sup 23}Na{sup +}, {sup 25}Mg{sup 2+}, {sup 35}Cl{sup −}, {sup 39}K{sup +}, or {sup 133}Cs{sup +}. Using molecular dynamics simulations, we investigate the statistical and dynamical properties of the EFG experienced by alkaline, alkaline Earth, and chloride ions at infinite dilution in water. Specifically, we analyze the effect of the ionic charge and size on the distribution of the EFG tensor and on the multi-step decay of its auto-correlation function. The main contribution to the NMR relaxation time arises from the slowest mode, with a characteristic time on the picosecond time scale. The first solvation shell of the ion plays a dominant role in the fluctuations of the EFG, all the more that the ion radius is small and its charge is large. We propose an analysis based on a simplified charge distribution around the ion, which demonstrates that the auto-correlation of the EFG, hence the NMR relaxation time, reflects primarily the collective translational motion of water molecules in the first solvation shell of the cations. Our findings provide a microscopic route to the quantitative interpretation of NMR relaxation measurements and open the way to the design of improved analytical theories for NMR relaxation for small ionic solutes, which should focus on water density fluctuations around the ion.

  9. Optimizing Adiabaticity in NMR

    NASA Astrophysics Data System (ADS)

    Vandermause, Jonathan; Ramanathan, Chandrasekhar

    We demonstrate the utility of Berry's superadiabatic formalism for numerically finding control sequences that implement quasi-adiabatic unitary transformations. Using an iterative interaction picture, we design a shortcut to adiabaticity that reduces the time required to perform an adiabatic inversion pulse in liquid state NMR. We also show that it is possible to extend our scheme to two or more qubits to find adiabatic quantum transformations that are allowed by the control algebra, and demonstrate a two-qubit entangling operation in liquid state NMR. We examine the pulse lengths at which the fidelity of these adiabatic transitions break down and compare with the quantum speed limit.

  10. Shiftless NMR Spectroscopy

    PubMed Central

    Wu, Chin H.; Opella, Stanley J.

    2013-01-01

    The acquisition and analysis of high resolution one- and two- dimensional solid-state NMR spectra without chemical shift frequencies are described. Many variations of Shiftless NMR spectroscopy are feasible. A two-dimensional experiment that correlates 13Cα-15N dipole-dipole and 1H-13Cα dipole-dipole couplings in single crystal and powder samples of the model peptide, 13Cα, 15N-acetylleucine, is demonstrated. In addition to the resolution of resonances from individual sites in a single crystal sample, the bond lengths and angles are characterized by the two-dimensional powder pattern obtained from a polycrystalline sample. PMID:18266429

  11. The structure and dynamics of the non-network forming elements sodium and magnesium in glassy and molten silicates: A high temperature NMR study

    NASA Astrophysics Data System (ADS)

    George, Anna Melissa

    Properties of silicate glasses and melts like diffusivities, partitioning of elements, and ionic conductivity are thought to depend on the structure and motional behavior of non-network elements like Na and Mg; however, little is directly known about the roles of these elements in the structure. Solid-state NMR spectroscopy is an element-specific technique which can yield information about the local structure of an element through chemical shift measurements and its dynamics, from spin-lattice relaxation times. This dissertation covers recent sp{23}Na and sp{25}Mg in situ high temperature NMR spectroscopy of silicates from room temperature to 1500sp°C. sp{23}Na chemical shifts vary linearly with bond length in crystalline materials, as shown by a MAS study of sodium chemical shifts in albite (NaAlSisb3Osb8) from 25sp°-350sp°C. This correlation of decreasing frequency with increasing bond length is used to interpret the differences in silicate glass and melt signals as a function of temperature and composition. sp{23}Na spin-lattice relaxation times are related to local cation hopping and ionic conductivity; the effect of adding Al to silicates on sodium mobility is discussed in this context. A discussion of the difficulties in interpreting data from quadrupolar nuclides like sp{23}Na is also included. sp{23}Na chemical shifts were also shown to follow a trend of decreasing frequency with increasing average bond length in crystalline sodium borates and germanates, and glass and melt spectra were interpreted from this correlation. The trends with size of sodium site in silicates, borates, and germanates are discussed in terms of being due to a decreased contribution from the paramagnetic shielding as the bonds become longer and more ionic. sp{25}Mg measurements show that the oxygen coordination number of Mg in the melts is between five and six and that the size of the Mg site varies with field strength of other cations present. Relaxation times indicate that the

  12. [NMR spectrometry in vivo with a resistive magnet at 1,2 T].

    PubMed

    Mehier, H; Maurice, M; Bonche, J P; Gaillard, E; Foray, J; Roussel, B

    1988-01-01

    A resistive magnet, operating at 1.2 T, intended to magnetic resonance spectroscopy in man was set up and evaluated in the hospital of Chamonix. Drusch S.A. in collaboration with Institut d' Electronique fondamentale built the system with the following characteristics: weight: 12 t, pole diameter: 55 cm, distance between coils: 36 cm. Cooling the magnet was provided by water flowing at 50 l/min. The magnetic field homogeneity was 3 X 10(-7) in a 60 mm diameter sphere. Stability was regulated at +/- 1 mGs. Five correcting circuits were used (X, Y, Z, Z2, XY). For experiments in man useful window was 120 X 20 cm and allowed measurements in brain and limbs. With this type of magnet, 1H, 31P and 23Na NMR spectra equalled in quality those obtained with superconducting magnets which work at a very higher cost.

  13. ZTE imaging of tight sandstone rocks at 9.4T - Comparison with standard NMR analysis at 0.05T.

    PubMed

    Węglarz, Władysław P; Krzyżak, Artur; Stefaniuk, Michał

    2016-05-01

    Zero echo time (ZTE) imaging at 9.4T was used to assess local water saturation level in the tight sandstone rocks. The results were compared with the industry standard porosity estimation basing on T2 relaxation analysis at 0.05T. A linear dependence between the two was achieved. This suggests the possibility to use 3D ZTE method for assessment of local amount of water in rocks. The method can be applicable in investigation of water saturation processes in tight rocks, where imaging methods based on spin echo like RARE failed due to short T2, while single point imaging (SPI) is impractical due to long acquisition time. Copyright © 2015 Elsevier Inc. All rights reserved.

  14. Modern NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Jelinski, Lynn W.

    1984-01-01

    Discusses direct chemical information that can be obtained from modern nuclear magnetic resonance (NMR) methods, concentrating on the types of problems that can be solved. Shows how selected methods provide information about polymers, bipolymers, biochemistry, small organic molecules, inorganic compounds, and compounds oriented in a magnetic…

  15. Modern NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Jelinski, Lynn W.

    1984-01-01

    Discusses direct chemical information that can be obtained from modern nuclear magnetic resonance (NMR) methods, concentrating on the types of problems that can be solved. Shows how selected methods provide information about polymers, bipolymers, biochemistry, small organic molecules, inorganic compounds, and compounds oriented in a magnetic…

  16. Autonomous driving in NMR.

    PubMed

    Perez, Manuel

    2017-01-01

    The automatic analysis of NMR data has been a much-desired endeavour for the last six decades, as it is the case with any other analytical technique. This need for automation has only grown as advances in hardware; pulse sequences and automation have opened new research areas to NMR and increased the throughput of data. Full automatic analysis is a worthy, albeit hard, challenge, but in a world of artificial intelligence, instant communication and big data, it seems that this particular fight is happening with only one technique at a time (let this be NMR, MS, IR, UV or any other), when the reality of most laboratories is that there are several types of analytical instrumentation present. Data aggregation, verification and elucidation by using complementary techniques (e.g. MS and NMR) is a desirable outcome to pursue, although a time-consuming one if performed manually; hence, the use of automation to perform the heavy lifting for users is required to make the approach attractive for scientists. Many of the decisions and workflows that could be implemented under automation will depend on the two-way communication with databases that understand analytical data, because it is desirable not only to query these databases but also to grow them in as much of an automatic manner as possible. How these databases are designed, set up and the data inside classified will determine what workflows can be implemented. Copyright © 2016 John Wiley & Sons, Ltd.

  17. NMR Hyperpolarization Techniques of Gases.

    PubMed

    Barskiy, Danila A; Coffey, Aaron M; Nikolaou, Panayiotis; Mikhaylov, Dmitry M; Goodson, Boyd M; Branca, Rosa T; Lu, George J; Shapiro, Mikhail G; Telkki, Ville-Veikko; Zhivonitko, Vladimir V; Koptyug, Igor V; Salnikov, Oleg G; Kovtunov, Kirill V; Bukhtiyarov, Valerii I; Rosen, Matthew S; Barlow, Michael J; Safavi, Shahideh; Hall, Ian P; Schröder, Leif; Chekmenev, Eduard Y

    2017-01-18

    Nuclear spin polarization can be significantly increased through the process of hyperpolarization, leading to an increase in the sensitivity of nuclear magnetic resonance (NMR) experiments by 4-8 orders of magnitude. Hyperpolarized gases, unlike liquids and solids, can often be readily separated and purified from the compounds used to mediate the hyperpolarization processes. These pure hyperpolarized gases enabled many novel MRI applications including the visualization of void spaces, imaging of lung function, and remote detection. Additionally, hyperpolarized gases can be dissolved in liquids and can be used as sensitive molecular probes and reporters. This Minireview covers the fundamentals of the preparation of hyperpolarized gases and focuses on selected applications of interest to biomedicine and materials science. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Vibrational and NMR probe studies of S Az-1 montmorillonite

    SciTech Connect

    Johnston, C.T.; Erickson, C.; Earl, W.L.

    1992-09-01

    This paper reports a study of the interactions of exchangeable metal cations with mineral surfaces using a combined spectroscopic/macroscopic approach. Objectives were to examine the use of water molecules and metal cations as molecular probes of smectite water interactions. The {nu}{sub 2} mode of water is used as a diagnostic vibrational band. An FTIR-gravimetric cell is used to examine the FTIR spectra of water on homoionic smectites. The {sup 23}Na NMR resonance is used to probe metal-water interactions on the surface. Results show that there are strong changes in both position and absorption coefficient of the H-O-H bending mode of water sorbed on SAz-1 montmorillonite as a function of water content. These changes are attributed to strong electrostatic forces and mobility changes that occur when the water in the interlammelar space is associated with the metal ion. The clay surface is viewed as having at least two distinct sites to which a hydrated Na{sup +} can bind. 32 refs, 5 figs. (DLC)

  19. Vibrational and NMR probe studies of S Az-1 montmorillonite

    SciTech Connect

    Johnston, C.T.; Erickson, C. . Dept. of Soil Science); Earl, W.L. )

    1992-01-01

    This paper reports a study of the interactions of exchangeable metal cations with mineral surfaces using a combined spectroscopic/macroscopic approach. Objectives were to examine the use of water molecules and metal cations as molecular probes of smectite water interactions. The {nu}{sub 2} mode of water is used as a diagnostic vibrational band. An FTIR-gravimetric cell is used to examine the FTIR spectra of water on homoionic smectites. The {sup 23}Na NMR resonance is used to probe metal-water interactions on the surface. Results show that there are strong changes in both position and absorption coefficient of the H-O-H bending mode of water sorbed on SAz-1 montmorillonite as a function of water content. These changes are attributed to strong electrostatic forces and mobility changes that occur when the water in the interlammelar space is associated with the metal ion. The clay surface is viewed as having at least two distinct sites to which a hydrated Na{sup +} can bind. 32 refs, 5 figs. (DLC)

  20. Simultaneously cycled NMR spectroscopy.

    PubMed

    Parish, David M; Szyperski, Thomas

    2008-04-09

    Simultaneously cycled (SC) NMR was introduced and exemplified by implementing a set of 2-D [1H,1H] SC exclusive COSY (E.COSY) NMR experiments, that is, rf pulse flip-angle cycled (SFC), rf pulse phase cycled (SPC), and pulsed field gradient (PFG) strength cycled (SGC) E.COSY. Spatially selective 1H rf pulses were applied as composite pulses such that all steps of the respective cycles were affected simultaneously in different slices of the sample. This increased the data acquisition speed for an n-step cycle n-fold. A high intrinsic sensitivity was achieved by defining the cycles in a manner that the receiver phase remains constant for all steps of the cycle. Then, the signal resulting from applying the cycle corresponded to the sum of the signals from all steps of the cycle. Hence, the detected free induction decay did not have to be separated into the contributions arising from different slices, and read-out PFGs, which not only greatly reduce sensitivity but also negatively impact lineshapes in the direct dimension, were avoided. The current implementation of SFC E.COSY reached approximately 65% of the intrinsic sensitivity of the conventional phase cycled congener, making this experiment highly attractive whenever conventional data acquisition is sampling limited. Highly resolved SC E.COSY yielding accurate 3J-coupling values was recorded for the 416 Da plant alkaloid tomatidine within 80 min, that is, 12 times faster than with conventional phase cycled E.COSY. SC NMR is applicable for a large variety of NMR experiments and thus promises to be a valuable addition to the arsenal of approaches for tackling the NMR sampling problem to avoid sampling limited data acquisition.

  1. NMR analysis on microfluidic devices by remote detection.

    PubMed

    McDonnell, Erin E; Han, SongI; Hilty, Christian; Pierce, Kimberly L; Pines, Alexander

    2005-12-15

    We present a novel approach to perform high-sensitivity NMR imaging and spectroscopic analysis on microfluidic devices. The application of NMR, the most information-rich spectroscopic technique, to microfluidic devices remains a challenge because the inherently low sensitivity of NMR is aggravated by small fluid volumes leading to low NMR signal and geometric constraints resulting in poor efficiency for inductive detection. We address the latter by physically separating signal detection from encoding of information with remote detection. Thereby, we use a commercial imaging probe with sufficiently large diameter to encompass the entire device, enabling encoding of NMR information at any location on the chip. Because large-diameter coils are too insensitive for detection, we store the encoded information as longitudinal magnetization and flow it into the outlet capillary. There, we detect the signal with optimal sensitivity, using a solenoidal microcoil, and reconstruct the information encoded in the fluid. We present a generally applicable design for a detection-only microcoil probe that can be inserted into the bore of a commercial imaging probe. Using hyperpolarized 129Xe gas, we show that this probe enables sensitive reconstruction of NMR spectroscopic information encoded by the large imaging probe while keeping the flexibility of a large coil.

  2. Novel electrolytes for use in new and improved batteries: An NMR study

    NASA Astrophysics Data System (ADS)

    Berman, Marc B.

    This thesis focuses on the use of nuclear magnetic resonance (NMR) spectroscopy in order to study materials for use as electrolytes in batteries. The details of four projects are described in this thesis as well as a brief theoretical background of NMR. Structural and dynamics properties were determined using several NMR techniques such as static, MAS, PFG diffusion, and relaxation to understand microscopic and macroscopic properties of the materials described within. Nuclei investigate were 1H, 2H, 7Li, 13C, 19F, 23Na, and 27Al. The first project focuses on an exciting new material to be used as a solid electrolyte membrane. T. The second project focuses on the dynamics of ionic liquid-solvent mixtures and their comparison to molecular dynamics computer simulations. The third project involves a solvent-free film containing NaTFSI salt mixed in to PEO for use in sodium-ion batteries. This final project focuses on a composite electrolyte consisting of a ceramic and solid: LiI:PEO:LiAlO2.

  3. NMR Characterizations of Properties of Heterogeneous Media

    SciTech Connect

    Watson, A. Ted; Phan, Jack; Uh, Jinsoo; Michalak, Rudi; Xue, Song

    2003-01-28

    The overall goal of this project was to develop reliable methods for resolving macroscopic properties important for describing the flow of one or more fluid phases in reservoirs from formation measurements. Completed the facilities to house our new NMR imager, the equipment has been delivered and installed. New experimental designs will provide for more reliable estimation of permeability distributions were evaluated. Designed and built a new core holder to incorporate one of the new experimental designs.

  4. Synthesis, characterization, crystal structure and NLO properties of a new mixed crystal potassium sodium ammonium dihydrogenphosphate K0.23Na0.23(NH4)0.54H2PO4

    NASA Astrophysics Data System (ADS)

    Ramasamy, G.; Meenakshisundaram, Subbiah

    2012-08-01

    Potassium sodium ammonium dihydrogenphosphate K0.23Na0.23(NH4)0.54H2PO4 (KSADP), a new mixed crystal has been grown in aqueous medium by the slow evaporation of equimolar mixture of ammonium dihydrogenphosphate (ADP), potassium dihydrogenphosphate (KDP) and sodium dihydrogenphosphate (SDP). Crystal composition as determined by single crystal X-ray diffraction analysis reveals that it belongs to the tetragonal system with noncentrosymmetric space group I-42d and it is structurally similar to ADP with cell parameter values, a=7.4794(4) Å; b=7.4794(4) Å; c=7.2974(11) Å; υ=408.23(7) Å3; z=4. The presence of sodium and potassium in ADP matrix was confirmed by inductively coupled plasma emission spectrometry and energy dispersive X-ray spectroscopy. The partial cationic substitution results in defect centers influencing the physical properties. Slight shifts in vibrational patterns could be attributed to strains in the lattice. Refinement of structure by single crystal XRD analysis reveals that potassium, sodium and ammonium coexist in the mixed crystal. The surface morphology of the as-grown specimen, which is changed as a result of cationic incorporation, was studied by scanning electron microscopy. The relative second harmonic generation (SHG) efficiency measurements revealed that the mixed crystal has a superior NLO activity than ADP.

  5. Pulse Electron Double Resonance Detected Multinuclear NMR Spectra of Distant and Low Sensitivity Nuclei and Its Application to the Structure of Mn(II) Centers in Organisms.

    PubMed

    Bruch, Eduardo M; Warner, Melissa T; Thomine, Sébastien; Tabares, Leandro C; Un, Sun

    2015-10-29

    The ability to characterize the structure of metal centers beyond their primary ligands is important to understanding their chemistry. High-magnetic-field pulsed electron double resonance detected NMR (ELDOR-NMR) is shown to be a very sensitive approach to measuring the multinuclear NMR spectra of the nuclei surrounding Mn(II) ions. Resolved spectra of intact organisms with resonances arising from (55)Mn, (31)P, (1)H, (39)K, (35)Cl, (23)Na, and (14)N nuclei surrounding Mn(2+) centers were obtained. Naturally abundant cellular (13)C could be routinely measured as well. The amplitudes of the (14)N and (2)H ELDOR-NMR spectra were found to be linearly dependent on the number of nuclei in the ligand sphere. The evolution of the Mn(II) ELDOR-NMR spectra as a function of excitation time was found to be best described by a saturation phenomenon rather than a coherently driven process. Mn(II) ELDOR-NMR revealed details about not only the immediate ligands to the Mn(II) ions but also more distant nuclei, providing a view of their extended structures. This will be important for understanding the speciation and chemistry of the manganese complexes as well as other metals found in organisms.

  6. Physical and Chemical Effects of Two-Phase Brine/Supercritical-CO2 Fluid Flow on Clastic Rocks: Real-Time Monitoring and NMR Imaging of Flow-Through Core Experiments

    NASA Astrophysics Data System (ADS)

    Shaw, C. A.; Vogt, S.; Maneval, J. E.; Brox, T.; Skidmore, M. L.; Codd, S. L.; Seymour, J. D.

    2010-12-01

    Sandstone core samples were challenged with a supercritical CO2-saturated brine mixture in a laboratory flow-through core reactor system over a range of temperatures and brine strengths. Cores of quartz arenite from the Berea formation were selected to represent ideal ‘clean’ sandstone These laboratory experiments potentially provide an analog for the acidification of pore fluids near the brine/CO2 interface during CO2 flooding of depleted clastic hydrocarbon reservoirs for carbon sequestration. Flow in the reactor was perpendicular to bedding. Initial experiments were run at 50°C and 100°C with brine concentrations of 1g/L and 10g/L (TDS) to test effects of different temperatures and brine compositions. Real-time monitoring of fluid pH and conductivity provided a measure of reaction rates. Introduction of supercritical CO2 into the brine-saturated cores initiated a reduction in pH accompanied by an increase in conductivity. NMR images of fresh cores were compared with images of challenged cores using a protocol for pixel-by-pixel comparison to determine the effects on bulk pore volume and geometry. Two types of imaging experiments were conducted: multi-slice spin echo and 3-D spin echo images. Multi-slice experiments had a slice thickness of 1.5 mm and an in-plane resolution of 0.27 mm x 0.27 mm, and 3-D experiments had a resolution of 0.47 mm x 0.55 mm x 0.55mm. Imaging results reflected the observed changes in the physical and chemical structure post-challenge. Two-dimensional relaxation correlation experiments were also conducted to probe the pore sizes, connectivity and fluid saturation of the rock cores before and after challenging. Chemical analyses and microscopic examination of the challenged cores will provide a better understanding of alteration in the cores and the changes in the volume, geometry and connectivity of pore space.

  7. 93Nb NMR and DFT investigation of the polymorphs of NaNbO3.

    PubMed

    Johnston, Karen E; Griffin, John M; Walton, Richard I; Dawson, Daniel M; Lightfoot, Philip; Ashbrook, Sharon E

    2011-04-28

    Sodium niobate (NaNbO(3)) has a particularly complex phase diagram, with a series of phase transitions as a function of temperature and pressure, and even at room temperature a number of different structural variations have been suggested. Recent work has demonstrated that bulk powders of NaNbO(3), prepared using a variety of synthetic approaches, contain a mixture of perovskite phases; the commonly reported Pbcm phase and a second, polar phase tentatively identified as belonging to space group P2(1)ma. The two phases exhibit very similar (23)Na MAS NMR spectra, although high-resolution MQMAS spectra were able to distinguish between them. Here, we investigate whether different perovskite polymorphs can be distinguished and/or identified using a variety of (93)Nb NMR methods, including MAS, MQMAS and wideline experiments. We compare the experimental results obtained for these more common perovskite materials to those for the metastable ilmenite polymorph of NaNbO(3). Our experimental results are supported by first-principles calculations of NMR parameters using a planewave pseudopotential approach. The calculated NMR parameters appear very different for each of the phases investigated, but high forces on the atoms indicate many of the structural models derived from diffraction require optimisation of the atomic coordinates. After geometry optimisation, most of these perovskite phases exhibit very similar NMR parameters, in contrast to recent work where it was suggested that (93)Nb provides a useful tool for distinguishing NaNbO(3) polymorphs. Finally, we consider the origin of the quadrupolar coupling in these materials, and its dependence on the deviation from ideality of the NbO(6) octahedra.

  8. 224} studied by NMR

    SciTech Connect

    Furukawa, Y; Fang, X; Kögerler, P

    2014-05-14

    7Li nuclear magnetic resonance (NMR) studies have been performed to investigate magnetic properties and spin dynamics of Mn3+ (S = 2) spins in the giant polyoxometalate molecule {Mn40W224}. The 7Li-NMR line width is proportional to the external magnetic field H as expected in a paramagnetic state above 3 K. Below this temperature the line width shows a sudden increase and is almost independent of H, which indicates freezing of the local Mn3+ spins. The temperature dependence of T1 for both 1H and 7Li reveals slow spin dynamics at low temperatures, consistent with spin freezing. The slow spin dynamics is also evidenced by the observation of a peak of 1/T2 around 3 K, where the fluctuation frequency of spins is of the order of ~200 kHz. An explicit form of the temperature dependence of the fluctuation frequency of Mn3+ spins is derived from the nuclear relaxation data.

  9. An OTA-based CMOS bandpass filter for NMR applications

    NASA Astrophysics Data System (ADS)

    Shesharaman, K. N.; Kittur, Harish M.

    2012-12-01

    One of the very popular medical imaging techniques used in present-day radiology is the magnetic resonance imaging (MRI) which is based on the phenomenon of nuclear magnetic resonance (NMR) in the hydrogen atoms present in the body. There is ever-increasing research in electronic circuit design for biomedical applications using NMR. Earlier magnetic resonance imagers operated at a magnetic field strength of 0.3 T. The present imagers operate at a magnetic field of 1.5 T, the resonance frequency of the nuclei being 64 MHz. This article presents a CMOS bandpass filter (BPF) design for NMR applications. The overall BPF design is realised in 180 nm CMOS technology which occupies an active area of 24.23 × 33.125 µm2 and consumes 0.165 mW of power from a 1.5 V supply.

  10. NMR Studies of Peroxidases.

    NASA Astrophysics Data System (ADS)

    Veitch, Nigel Charles

    Available from UMI in association with The British Library. Requires signed TDF. Peroxidases are a haem-containing group of enzymes with a wide diversity of function within biological systems. While a common characteristic is the ability to catalyse the conversion of hydrogen peroxide to water, it is the accompanying processes of hormone synthesis and degradation which have generated such a high level of interest. However, information at the molecular level is limited to a single well-resolved crystal structure, that of yeast cytochrome c peroxidase. This thesis presents a strategy for the investigation of peroxidase structure and function based on proton nuclear magnetic resonance spectroscopy, a technique which has the ability to address aspects of both protein structure and protein dynamics in solution. The application of one- and two-dimensional NMR techniques has been developed in the context of plant peroxidases, notably the isoenzyme HRP-C derived from the horseradish root. Characterisation of the proton NMR spectra of HRP -C in resting and ligated states provided new information enabling the structure of the binding site for aromatic donor molecules, such as indole-3-propionic, ferulic and benzhydroxamic acids, to be resolved. In order to overcome difficulties encountered with a protein of the complexity of peroxidase, additional information was obtained from chemical shift parameters and the use of peroxidase variants produced by site-directed mutagenesis. A comparative study using NMR spectroscopy was undertaken for wild-type recombinant HRP-C expressed in Escherichia coli, and two protein variants with substitutions made to residues located on the distal side of the haem pocket, Phe41 to Val and Arg38 to Lys. NMR analyses of a plant peroxidase from barley grains and the fungal peroxidase from Coprinus cinereus were also successful using methods conceived with HRP-C. Examination of three specifically constructed recombinant protein variants of C. cinereus

  11. β-NMR

    NASA Astrophysics Data System (ADS)

    Morris, Gerald D.

    2014-01-01

    The β-NMR facility at ISAC is constructed specifically for experiments in condensed matter physics with radioactive ion beams. Using co-linear optical pumping, a 8Li + ion beam having a large nuclear spin polarisation and low energy (nominally 30 keV) can be generated. When implanted into materials these ions penetrate to shallow depths comparable to length scales of interest in the physics of surfaces and interfaces between materials. Such low-energy ions can be decelerated with simple electrostatic optics to enable depth-resolved studies of near-surface phenomena over the range of about 2-200 nm. Since the β-NMR signal is extracted from the asymmetry intrinsic to beta-decay and therefore monitors the polarisation of the radioactive probe nuclear magnetic moments, this technique is fundamentally a probe of local magnetism. More generally though, any phenomena which affects the polarisation of the implanted spins by, for example, a change in resonance frequency, line width or relaxation rate can be studied. The β-NMR program at ISAC currently supports a number of experiments in magnetism and superconductivity as well as novel ultra-thin heterostructures exhibiting properties that cannot occur in bulk materials. The general purpose zero/low field and high field spectrometers are configured to perform CW and pulsed RF nuclear magnetic resonance and spin relaxation experiments over a range of temperatures (3-300 K) and magnetic fields (0-9 T).

  12. Calibration of NMR well logs from carbonate reservoirs with laboratory NMR measurements and μXRCT

    DOE PAGES

    Mason, Harris E.; Smith, Megan M.; Hao, Yue; ...

    2014-12-31

    The use of nuclear magnetic resonance (NMR) well log data has the potential to provide in-situ porosity, pore size distributions, and permeability of target carbonate CO₂ storage reservoirs. However, these methods which have been successfully applied to sandstones have yet to be completely validated for carbonate reservoirs. Here, we have taken an approach to validate NMR measurements of carbonate rock cores with independent measurements of permeability and pore surface area to volume (S/V) distributions using differential pressure measurements and micro X-ray computed tomography (μXRCT) imaging methods, respectively. We observe that using standard methods for determining permeability from NMR data incorrectlymore » predicts these values by orders of magnitude. However, we do observe promise that NMR measurements provide reasonable estimates of pore S/V distributions, and with further independent measurements of the carbonate rock properties that universally applicable relationships between NMR measured properties may be developed for in-situ well logging applications of carbonate reservoirs.« less

  13. Whole body sodium MRI at 3T using an asymmetric birdcage resonator and short echo time sequence: first images of a male volunteer

    NASA Astrophysics Data System (ADS)

    Wetterling, Friedrich; Corteville, Dominique M.; Kalayciyan, Raffi; Rennings, Andreas; Konstandin, Simon; Nagel, Armin M.; Stark, Helmut; Schad, Lothar R.

    2012-07-01

    Sodium magnetic resonance imaging (23Na MRI) is a non-invasive technique which allows spatial resolution of the tissue sodium concentration (TSC) in the human body. TSC measurements could potentially serve to monitor early treatment success of chemotherapy on patients who suffer from whole body metastases. Yet, the acquisition of whole body sodium (23Na) images has been hampered so far by the lack of large resonators and the extremely low signal-to-noise ratio (SNR) achieved with existing resonator systems. In this study, a 23Na resonator was constructed for whole body 23Na MRI at 3T comprising of a 16-leg, asymmetrical birdcage structure with 34 cm height, 47.5 cm width and 50 cm length. The resonator was driven in quadrature mode and could be used either as a transceiver resonator or, since active decoupling was included, as a transmit-only resonator in conjunction with a receive-only (RO) surface resonator. The relative B1-field profile was simulated and measured on phantoms, and 3D whole body 23Na MRI data of a healthy male volunteer were acquired in five segments with a nominal isotropic resolution of (6 × 6 × 6) mm3 and a 10 min acquisition time per scan. The measured SNR values in the 23Na-MR images varied from 9 ± 2 in calf muscle, 15 ± 2 in brain tissue, 23 ± 2 in the prostate and up to 42 ± 5 in the vertebral discs. Arms, legs, knees and hands could also be resolved with applied resonator and short time-to-echo (TE) (0.5 ms) radial sequence. Up to fivefold SNR improvement was achieved through combining the birdcage with local RO surface coil. In conclusion, 23Na MRI of the entire human body provides sub-cm spatial resolution, which allows resolution of all major human body parts with a scan time of less than 60 min.

  14. Line shapes and widths of MAS sidebands for 27Al satellite transitions. multinuclear MAS NMR of tugtupite Na8Al2Be2Si8O24Cl2.

    PubMed

    Skibsted, J; Norby, P; Bildsøe, H; Jakobsen, H J

    1995-12-01

    A multinuclear 9Be, 23Na, 27Al, and 29Si magic-angle spinning (MAS) NMR study has been performed for the mineral tugtupite (Na8Al2Be2Si8O24Cl2). The extremely well-resolved spectra allow observation of separate spinning sidebands (ssb's) from the inner (+/- 1/2, +/- 3/2) and outer (+/- 3/2, +/- 5/2) 27Al satellite transitions, and are utilized in a detailed analysis of the line shapes and widths of the individual ssb's from simulations. The line widths of the ssb's from the inner and outer 27Al satellite transitions are found to decrease systematically with increasing order of the ssb's across the spectrum. Accurate values for the 9Be, 23Na, and 27Al quadrupole coupling parameters and isotropic chemical shifts are obtained from simulations of the manifolds of ssb's from the satellite transitions. MAS NMR of the 9Be satellite transitions for tugtupite, BeO, and beryl(Al2Be3Si6O18) shows that these transitions are particularly useful for determination of 9Be quadrupole couplings because of the small 9Be quadrupole moment. The 29Si shielding anisotropy of delta sigma = 48 ppm in tugtupite is the largest determined so far for a framework SiO4 tetrahedron. Finally, the crystal structure of the tugtupite sample has been refined by single-crystal X-ray diffraction, and correlations between the multinuclear NMR parameters and structural data are reported.

  15. NMR with excitation modulated by Frank sequences

    NASA Astrophysics Data System (ADS)

    Blümich, Bernhard; Gong, Qingxia; Byrne, Eimear; Greferath, Marcus

    2009-07-01

    Miniaturized NMR is of growing importance in bio-, chemical, and -material sciences. Other than the magnet, bulky components are the radio-frequency power amplifier and the power supply or battery pack. We show that constant flip-angle excitation with phase modulation following a particular type of polyphase perfect sequences results in low peak excitation power at high response peak power. It has ideal power distribution in both the time domain and the frequency domain. A savings in peak excitation power of six orders of magnitude has been realized compared to conventionally pulsed excitation. Among others, the excitation promises to be of use for button-cell operated miniature NMR devices as well as for complying with specific-absorption-rate regulations in high-field medical imaging.

  16. NMR CHARACTERIZATIONS OF PROPERTIES OF HETEROGENEOUS MEDIA

    SciTech Connect

    C.T. Philip Chang; Changho Choi; Jeromy T. Hollenshead; Rudi Michalak; Jack Phan; Ramon Saavedra; John C. Slattery; Jinsoo Uh; Randi Valestrand; A. Ted Watson; Song Xue

    2005-01-01

    A critical and long-standing need within the petroleum industry is the specification of suitable petrophysical properties for mathematical simulation of fluid flow in petroleum reservoirs (i.e., reservoir characterization). The development of accurate reservoir characterizations is extremely challenging. Property variations may be described on many scales, and the information available from measurements reflect different scales. In fact, experiments on laboratory core samples, well-log data, well-test data, and reservoir-production data all represent information potentially valuable to reservoir characterization, yet they all reflect information about spatial variations of properties at different scales. Nuclear magnetic resonance (NMR) spectroscopy and imaging (MRI) provide enormous potential for developing new descriptions and understandings of heterogeneous media. NMR has the rare capability to probe permeable media non-invasively, with spatial resolution, and it provides unique information about molecular motions and interactions that are sensitive to morphology. NMR well-logging provides the best opportunity ever to resolve permeability distributions within petroleum reservoirs. We develop MRI methods to determine, for the first time, spatially resolved distributions of porosity and permeability within permeable media samples that approach the intrinsic scale: the finest resolution of these macroscopic properties possible. To our knowledge, this is the first time that the permeability is actually resolved at a scale smaller than the sample. In order to do this, we have developed a robust method to determine of relaxation distributions from NMR experiments and a novel implementation and analysis of MRI experiments to determine the amount of fluid corresponding to imaging regions, which are in turn used to determine porosity and saturation distributions. We have developed a novel MRI experiment to determine velocity distributions within flowing experiments, and

  17. Magic Angle Spinning NMR Metabolomics

    SciTech Connect

    Zhi Hu, Jian

    2016-01-01

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

  18. NMR Spectroscopy for Thin Films by Magnetic Resonance Force Microscopy

    PubMed Central

    Won, Soonho; Saun, Seung-Bo; Lee, Soonchil; Lee, SangGap; Kim, Kiwoong; Han, Yunseok

    2013-01-01

    Nuclear magnetic resonance (NMR) is a fundamental research tool that is widely used in many fields. Despite its powerful applications, unfortunately the low sensitivity of conventional NMR makes it difficult to study thin film or nano-sized samples. In this work, we report the first NMR spectrum obtained from general thin films by using magnetic resonance force microscopy (MRFM). To minimize the amount of imaging information inevitably mixed into the signal when a gradient field is used, we adopted a large magnet with a flat end with a diameter of 336 μm that generates a homogeneous field on the sample plane and a field gradient in a direction perpendicular to the plane. Cyclic adiabatic inversion was used in conjunction with periodic phase inversion of the frequency shift to maximize the SNR. In this way, we obtained the 19F NMR spectrum for a 34 nm-thick CaF2 thin film. PMID:24217000

  19. Irreducible Tensor Operators and Multiple-Quantum NMR.

    NASA Astrophysics Data System (ADS)

    Hutchison, Wayne Douglas

    The aim of the work detailed in this thesis, is to provide a concise, and illuminating, mathematical description of multiple quantum nuclear magnetic resonance (MQNMR) experiments, on essentially isolated (non-coupled) nuclei. The treatment used is based on irreducible tensor operators, which form an orthonormal basis set. Such operators can be used to detail the state of the nuclear ensemble (density matrix) during every stage, preparation, evolution and detection, of a MQNMR experiment. Moreover, such operators can be also used to provide a rigorous analysis of pulsed NMR experiments, on oriented nuclei at low temperatures, where the initial density matrix is far from trivial. The specific topics dealt with in this thesis are as follows. In the first place the properties of irreducible tensor operators are discussed in some detail. In particular, symmetric and anti-symmetric combinations of tensor operators are introduced, to reflect the Hermitian nature of the nuclear Hamiltonian and density matrix. Secondly, the creation of multipolar nuclear states using hard, non-selective rf pulses, is detailed for spin I = 1, 3/2, 2 and 5/2 nuclei, subject to an axially symmetric quadrupole interaction. Results are also given for general I. Thirdly, some experimental results, verifying the production of a triple quantum NMR state, for the I = 3/2 ^{23}Na nuclei in a single crystal of NaIO_4 are presented and discussed. Fourthly, the treatment of MQNMR experiments is extended to the low temperature regime where the initial density matrix includes Fano statistical tensors other than rank one. In particular, it is argued that MQNMR techniques could be used to enhance the anisotropy of gamma-ray emission from oriented nuclei at low temperatures. Fifthly, the effect of a more general quadrupole Hamiltonian (including an asymmetry term) on MQNMR experiments is considered for spins I = 1 and 3/2. In particular, it is shown that double quantum states evolve to give longitudinal NMR

  20. Effects of specific surface area and porosity on cube counting fractal dimension, lacunarity, configurational entropy, and permeability of model porous networks: Random packing simulations and NMR micro-imaging study

    NASA Astrophysics Data System (ADS)

    Lee, Bum Han; Lee, Sung Keun

    2013-07-01

    Despite the importance of understanding and quantifying the microstructure of porous networks in diverse geologic settings, the effects of the specific surface area and porosity on the key structural parameters of the networks have not been fully understood. We performed cube-counting fractal dimension (Dcc) and lacunarity analyses of 3D porous networks of model sands and configurational entropy analysis of 2D cross sections of model sands using random packing simulations and nuclear magnetic resonance (NMR) micro-imaging. We established relationships among porosity, specific surface area, structural parameters (Dcc and lacunarity), and the corresponding macroscopic properties (configurational entropy and permeability). The Dcc of the 3D porous networks increases with increasing specific surface area at a constant porosity and with increasing porosity at a constant specific surface area. Predictive relationships correlating Dcc, specific surface area, and porosity were also obtained. The lacunarity at the minimum box size decreases with increasing porosity, and that at the intermediate box size (∼0.469 mm in the current model sands) was reproduced well with specific surface area. The maximum configurational entropy increases with increasing porosity, and the entropy length of the pores decreases with increasing specific surface area and was used to calculate the average connectivity among the pores. The correlation among porosity, specific surface area, and permeability is consistent with the prediction from the Kozeny-Carman equation. From the relationship between the permeability and the Dcc of pores, the permeability can be expressed as a function of the Dcc of pores and porosity. The current methods and these newly identified correlations among structural parameters and properties provide improved insights into the nature of porous media and have useful geophysical and hydrological implications for elasticity and shear viscosity of complex composites of rock

  1. Pulse-assisted homonuclear dipolar recoupling of half-integer quadrupolar spins in magic-angle spinning NMR

    NASA Astrophysics Data System (ADS)

    Edén, Mattias; Annersten, Hans; Zazzi, Åsa

    2005-07-01

    We demonstrate numerically and experimentally that zero-quantum homonuclear dipolar recoupling techniques employing rotor-synchronized 180° pulses, previously introduced for spin-1/2 applications, are useful also for magnetization transfers between half-integer quadrupolar nuclei in rotating solids. The recoupling sequences are incorporated as mixing periods in two-dimensional experimental protocols, that correlate either single-quantum coherences of coupled spins, or triple-quantum with single-quantum coherences for improving spectral resolution. We present 23Na and 27Al NMR experiments on powders of sodium sulphite [Na 2SO 3], YAG [Y 3Al 5O 12] and a synthetic chlorite mineral [Mg 4.5Al 3Si 2.5O 10(OH) 8].

  2. Solution state NMR of lignins

    Treesearch

    John. Ralph; Jane M. Marita; Sally A. Ralph; Ronald D. Hatfield; Fachuang. Lu; Richard M. Ede; Junpeng. Peng; Larry L. Landucci

    1999-01-01

    Despite the rather random and heterogeneous nature of isolated lignins, many of their intimate structural details are revealed by diagnostic NMR experiments. 13C-NMR was recognized early-on as a high-resolution method for detailed structural characterization, aided by the almost exact agreement between chemical shifts of carbons in good low-molecular...

  3. THz Dynamic Nuclear Polarization NMR

    PubMed Central

    Nanni, Emilio A.; Barnes, Alexander B.; Griffin, Robert G.; Temkin, Richard J.

    2013-01-01

    Dynamic nuclear polarization (DNP) increases the sensitivity of nuclear magnetic resonance (NMR) spectroscopy by using high frequency microwaves to transfer the polarization of the electrons to the nuclear spins. The enhancement in NMR sensitivity can amount to a factor of well above 100, enabling faster data acquisition and greatly improved NMR measurements. With the increasing magnetic fields (up to 23 T) used in NMR research, the required frequency for DNP falls into the THz band (140–600 GHz). Gyrotrons have been developed to meet the demanding specifications for DNP NMR, including power levels of tens of watts; frequency stability of a few megahertz; and power stability of 1% over runs that last for several days to weeks. Continuous gyrotron frequency tuning of over 1 GHz has also been demonstrated. The complete DNP NMR system must include a low loss transmission line; an optimized antenna; and a holder for efficient coupling of the THz radiation to the sample. This paper describes the DNP NMR process and illustrates the THz systems needed for this demanding spectroscopic application. THz DNP NMR is a rapidly developing, exciting area of THz science and technology. PMID:24639915

  4. THz Dynamic Nuclear Polarization NMR.

    PubMed

    Nanni, Emilio A; Barnes, Alexander B; Griffin, Robert G; Temkin, Richard J

    2011-08-29

    Dynamic nuclear polarization (DNP) increases the sensitivity of nuclear magnetic resonance (NMR) spectroscopy by using high frequency microwaves to transfer the polarization of the electrons to the nuclear spins. The enhancement in NMR sensitivity can amount to a factor of well above 100, enabling faster data acquisition and greatly improved NMR measurements. With the increasing magnetic fields (up to 23 T) used in NMR research, the required frequency for DNP falls into the THz band (140-600 GHz). Gyrotrons have been developed to meet the demanding specifications for DNP NMR, including power levels of tens of watts; frequency stability of a few megahertz; and power stability of 1% over runs that last for several days to weeks. Continuous gyrotron frequency tuning of over 1 GHz has also been demonstrated. The complete DNP NMR system must include a low loss transmission line; an optimized antenna; and a holder for efficient coupling of the THz radiation to the sample. This paper describes the DNP NMR process and illustrates the THz systems needed for this demanding spectroscopic application. THz DNP NMR is a rapidly developing, exciting area of THz science and technology.

  5. The financing of NMR equipment.

    PubMed

    Frankel, A N

    1984-01-01

    Cost-containment regulations and possible legislative changes in the tax area are creating new environments for the acquisition of nuclear magnetic resonance (NMR) systems. Shared services, management groups, and free-standing clinics are being established. Creativity in financing will be required to assure the cost-effectiveness of NMR services.

  6. Gelation of Na-alginate aqueous solution: A study of sodium ion dynamics via NMR relaxometry.

    PubMed

    Zhao, Congxian; Zhang, Chao; Kang, Hongliang; Xia, Yanzhi; Sui, Kunyan; Liu, Ruigang

    2017-08-01

    Sodium alginate (SA) hydrogels have a wide range of applications including tissue engineering, drug delivery and formulations for preventing gastric reflux. The dynamics of sodium ions during the gelation process of SA solution is critical for clarification of the gelation procedure. In this work, nuclear magnetic resonance (NMR) relaxometry and pulsed-field-gradient (PFG) NMR diffusometry were used to investigate the dynamics of the sodium ions during the gelation of SA alginate. We find that sodium ions are in two different states with the addition of divalent calcium ions, corresponding to Ca(2+) crosslinked and un-crosslinked regions in the hydrogels. The sodium ions within the un-crosslinked regions are those released from the alginate chains without Ca(2+) crosslinking. The relative content of sodium ions within the Ca(2+) crosslinked regions decreased with the increase in the content of calcium ions in the system. The relaxation time T2 of sodium ions within the Ca(2+) crosslinked and un-crosslinked regions shift to shorter and longer relaxation time with the increase in concentration of calcium ion, which indicates the closer package of SA chains and the larger space for the diffusion of free sodium ions. This work clarifies the dynamics of (23)Na(+) in a calcium alginate gel at the equilibrium state. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Physical And Medical Attributes Of Six Contemporary Noninvasive Imaging Techniques

    NASA Astrophysics Data System (ADS)

    Budinger, Thomas F.

    1981-11-01

    tomography. 6) Nuclear magnetic resonance procedures measure the concentration of some nuclei (e.g., 1H, 23Na, 32P) as well as their chemical state and the local physical-chemical environment of the resolution volume. Velocity and diffusion are also potential measurements. Two unique capabilities of contemporary interest are the ability to image the spatial distribu-tion of relaxation parameters which give information about the local tissue characteristics, and the ability of NMR spectroscopy to sample (not image) the energy state of phosphorous in selected regions of the body. A third attribute of importance is that possible tissue heating seems to be the only hazard and this can be controlled.

  8. Automatic Tuning Matching Cycler (ATMC) in situ NMR spectroscopy as a novel approach for real-time investigations of Li- and Na-ion batteries

    NASA Astrophysics Data System (ADS)

    Pecher, Oliver; Bayley, Paul M.; Liu, Hao; Liu, Zigeng; Trease, Nicole M.; Grey, Clare P.

    2016-04-01

    We have developed and explored the use of a new Automatic Tuning Matching Cycler (ATMC) in situ NMR probe system to track the formation of intermediate phases and investigate electrolyte decomposition during electrochemical cycling of Li- and Na-ion batteries (LIBs and NIBs). The new approach addresses many of the issues arising during in situ NMR, e.g., significantly different shifts of the multi-component samples, changing sample conditions (such as the magnetic susceptibility and conductivity) during cycling, signal broadening due to paramagnetism as well as interferences between the NMR and external cycler circuit that might impair the experiments. We provide practical insight into how to conduct ATMC in situ NMR experiments and discuss applications of the methodology to LiFePO4 (LFP) and Na3V2(PO4)2F3 cathodes as well as Na metal anodes. Automatic frequency sweep 7Li in situ NMR reveals significant changes of the strongly paramagnetic broadened LFP line shape in agreement with the structural changes due to delithiation. Additionally, 31P in situ NMR shows a full separation of the electrolyte and cathode NMR signals and is a key feature for a deeper understanding of the processes occurring during charge/discharge on the local atomic scale of NMR. 31P in situ NMR with "on-the-fly" re-calibrated, varying carrier frequencies on Na3V2(PO4)2F3 as a cathode in a NIB enabled the detection of different P signals within a huge frequency range of 4000 ppm. The experiments show a significant shift and changes in the number as well as intensities of 31P signals during desodiation/sodiation of the cathode. The in situ experiments reveal changes of local P environments that in part have not been seen in ex situ NMR investigations. Furthermore, we applied ATMC 23Na in situ NMR on symmetrical Na-Na cells during galvanostatic plating. An automatic adjustment of the NMR carrier frequency during the in situ experiment ensured on-resonance conditions for the Na metal and

  9. Automatic Tuning Matching Cycler (ATMC) in situ NMR spectroscopy as a novel approach for real-time investigations of Li- and Na-ion batteries.

    PubMed

    Pecher, Oliver; Bayley, Paul M; Liu, Hao; Liu, Zigeng; Trease, Nicole M; Grey, Clare P

    2016-04-01

    We have developed and explored the use of a new Automatic Tuning Matching Cycler (ATMC) in situ NMR probe system to track the formation of intermediate phases and investigate electrolyte decomposition during electrochemical cycling of Li- and Na-ion batteries (LIBs and NIBs). The new approach addresses many of the issues arising during in situ NMR, e.g., significantly different shifts of the multi-component samples, changing sample conditions (such as the magnetic susceptibility and conductivity) during cycling, signal broadening due to paramagnetism as well as interferences between the NMR and external cycler circuit that might impair the experiments. We provide practical insight into how to conduct ATMC in situ NMR experiments and discuss applications of the methodology to LiFePO4 (LFP) and Na3V2(PO4)2F3 cathodes as well as Na metal anodes. Automatic frequency sweep (7)Li in situ NMR reveals significant changes of the strongly paramagnetic broadened LFP line shape in agreement with the structural changes due to delithiation. Additionally, (31)P in situ NMR shows a full separation of the electrolyte and cathode NMR signals and is a key feature for a deeper understanding of the processes occurring during charge/discharge on the local atomic scale of NMR. (31)P in situ NMR with "on-the-fly" re-calibrated, varying carrier frequencies on Na3V2(PO4)2F3 as a cathode in a NIB enabled the detection of different P signals within a huge frequency range of 4000 ppm. The experiments show a significant shift and changes in the number as well as intensities of (31)P signals during desodiation/sodiation of the cathode. The in situ experiments reveal changes of local P environments that in part have not been seen in ex situ NMR investigations. Furthermore, we applied ATMC (23)Na in situ NMR on symmetrical Na-Na cells during galvanostatic plating. An automatic adjustment of the NMR carrier frequency during the in situ experiment ensured on-resonance conditions for the Na metal and

  10. Measurement of vorticity diffusion by NMR microscopy.

    PubMed

    Brown, Jennifer R; Callaghan, Paul T

    2010-05-01

    In a Newtonian fluid, vorticity diffuses at a rate determined by the kinematic viscosity. Here we use rapid NMR velocimetry, based on a RARE sequence, to image the time-dependent velocity field on startup of a fluid-filled cylinder and therefore measure the diffusion of vorticity. The results are consistent with the solution to the vorticity diffusion equation where the angular velocity on the outside surface of the fluid, at the cylinder's rotating wall, is fixed. This method is a means of measuring kinematic viscosity for low viscosity fluids without the need to measure stress.

  11. Rheo-NMR of the secondary flow of non-Newtonian fluids in square ducts.

    PubMed

    Schroeder, Christian B; Jeffrey, Kenneth R

    2011-01-28

    We report the first real-time observations of the entire fully developed laminar secondary flow field of aqueous 2% Viscarin GP-209NF (a λ-carrageenan polysaccharide) in a square duct as made using a modest rheological NMR imaging (rheo-NMR) apparatus. Simulations using the Reiner-Rivlin constitutive equation verify the results. An included rheo-NMR flow rate quantification study assesses the measurement precision. Rheo-NMR resolves slow flows superimposed on primary flows about 300 times greater, making it a universally accessible technique by which full secondary flow field data may be systematically gathered.

  12. NMR Methods, Applications and Trends for Groundwater Evaluation and Management

    NASA Astrophysics Data System (ADS)

    Walsh, D. O.; Grunewald, E. D.

    2011-12-01

    Nuclear magnetic resonance (NMR) measurements have a tremendous potential for improving groundwater characterization, as they provide direct detection and measurement of groundwater and unique information about pore-scale properties. NMR measurements, commonly used in chemistry and medicine, are utilized in geophysical investigations through non-invasive surface NMR (SNMR) or downhole NMR logging measurements. Our recent and ongoing research has focused on improving the performance and interpretation of NMR field measurements for groundwater characterization. Engineering advancements have addressed several key technical challenges associated with SNMR measurements. Susceptibility of SNMR measurements to environmental noise has been dramatically reduced through the development of multi-channel acquisition hardware and noise-cancellation software. Multi-channel instrumentation (up to 12 channels) has also enabled more efficient 2D and 3D imaging. Previous limitations in measuring NMR signals from water in silt, clay and magnetic geology have been addressed by shortening the instrument dead-time from 40 ms to 4 ms, and increasing the power output. Improved pulse sequences have been developed to more accurately estimate NMR relaxation times and their distributions, which are sensitive to pore size distributions. Cumulatively, these advancements have vastly expanded the range of environments in which SNMR measurements can be obtained, enabling detection of groundwater in smaller pores, in magnetic geology, in the unsaturated zone, and nearby to infrastructure (presented here in case studies). NMR logging can provide high-resolution estimates of bound and mobile water content and pore size distributions. While NMR logging has been utilized in oil and gas applications for decades, its use in groundwater investigations has been limited by the large size and high cost of oilfield NMR logging tools and services. Recently, engineering efforts funded by the US Department of

  13. Role of magnesium and calcium in alcohol-induced hypertension and strokes as probed by in vivo television microscopy, digital image microscopy, optical spectroscopy, 31P-NMR, spectroscopy and a unique magnesium ion-selective electrode.

    PubMed

    Altura, B M; Altura, B T

    1994-10-01

    It is not known why alcohol ingestion poses a risk for development of hypertension, stroke and sudden death. Of all drugs, which result in body depletion of magnesium (Mg), alcohol is now known to be the most notorious cause of Mg-wasting. Recent data obtained through the use of biophysical (and noninvasive) technology suggest that alcohol may induce hypertension, stroke, and sudden death via its effects on intracellular free Mg2+ ([Mg2+]i), which in turn alter cellular and subcellular bioenergetics and promote calcium ion (Ca2+) overload. Evidence is reviewed that demonstrates that the dietary intake of Mg modulates the hypertensive actions of alcohol. Experiments with intact rats indicates that chronic ethanol ingestion results in both structural and hemodynamic alterations in the microcirculation, which, in themselves, could account for increased vascular resistance. Chronic ethanol increases the reactivity of intact microvessels to vasoconstrictors and results in decreased reactivity to vasodilators. Chronic ethanol ingestion clearly results in vascular smooth muscle cells that exhibit a progressive increase in exchangeable and cellular Ca2+ concomitant with a progressive reduction in Mg content. Use of 31P-NMR spectroscopy coupled with optical-backscatter reflectance spectroscopy revealed that acute ethanol administration to rats results in dose-dependent deficits in phosphocreatine (PCr), the [PCr]/[ATP] ratio, intracellular pH (pHi), oxyhemoglobin, and the mitochondrial level of oxidized cytochrome oxidase aa3 concomitant with a rise in brain-blood volume and inorganic phosphate. Temporal studies performed in vivo, on the intact brain, indicate that [Mg2+]i is depleted before any of the bioenergetic changes. Pretreatment of animals with Mg2+ prevents ethanol from inducing stroke and prevents all of the adverse bioenergetic changes from taking place. Use of quantitative digital imaging microscopy, and mag-fura-2, on single-cultured canine cerebral vascular

  14. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1989-01-01

    This report covers the progress made on the title project during the past reporting period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines the authors are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. The effects of very high MAS rates (>10 kHz) on cross polarization dynamics are also being investigated for similar reasons. The authors have been reinvestigating the prospects of using zero field NMR types of techniques for two dimensional NMR structural analysis of complex organic solids such as coals. Currently MAS spin rates are not sufficiently high to permit zero field in high field NMR for protons in typical organic solids, however they are compatible with {sup 13}C-{sup 13}C dipolar couplings. In collaboration with Dr. Robert Tycko of AT T Bell Laboratories, inventor of the zero field in high field NMR method, the authors have performed the first zero field in high field {sup 13}C NMR experiments. These results are described. 9 refs., 2 figs.

  15. Applications of toroids in high-pressure NMR spectroscopy

    SciTech Connect

    Klingler, R.J.; Rathke, J.W.; Woelk, K.

    1995-12-01

    Toroid detectors have distinct NMR sensitivity and imaging advantages. The magnetic field lines are nearly completely contained within the active volume element of a toroid. This results in high NMR signal sensitivity. In addition, the toroid detector may be placed next to the metallic walls of a containment vessel with minimal signal loss due to magnetic coupling with the metal container. Thus, the toroid detector is ideal for static high pressure or continuous flow monitoring systems. Toroid NMR detectors have been used to follow the hydroformylation of olefins in supercritical fluids under industrial process conditions. Supercritical fluids are potentially ideal media for conducting catalytic reactions that involve gaseous reactants, including H{sub 2}, CO, and CO{sub 2}. The presence of a single homogeneous reaction phase eliminates the gas-liquid mixing problem of alternative two-phase systems, which can limit process rates and adversely affect hydroformylation product selectivities. A second advantage of toroid NMR detectors is that they exhibit a well-defined gradient in the rf field. This magnetic field gradient can be used for NMR imaging applications. Distance resolutions of 20 {mu} have been obtained.

  16. Understanding NMR Chemical Shifts

    NASA Astrophysics Data System (ADS)

    Jameson, Cynthia J.

    1996-10-01

    The NMR chemical shift serves as a paradigm for molecular electronic properties. We consider the factors that determine the general magnitudes of the shifts, the state of the art in theoretical calculations, the nature of the shielding tensor, and the multidimensional shielding surface that describes the variation of the shielding with nuclear positions. We also examine the nature of the intermolecular shielding surface as a general example of a supermolecule property surface. The observed chemical shift in the zero-pressure limit is determined not only by the value of the shielding at the equilibrium geometry, but the dynamic average over the multidimensional shielding surface during rotation and vibration of the molecule. In the gas, solution, or adsorbed phase it is an average of the intermolecular shielding surface over all the configurations of the molecule with its neighbors. The temperature dependence of the chemical shift in the isolated molecule, the changes upon isotopic substitution, the changes with environment, are well characterized experimentally so that quantum mechanical descriptions of electronic structure and theories related to dynamics averaging of any electronic property can be subjected to stringent test.

  17. Integrative NMR for biomolecular research.

    PubMed

    Lee, Woonghee; Cornilescu, Gabriel; Dashti, Hesam; Eghbalnia, Hamid R; Tonelli, Marco; Westler, William M; Butcher, Samuel E; Henzler-Wildman, Katherine A; Markley, John L

    2016-04-01

    NMR spectroscopy is a powerful technique for determining structural and functional features of biomolecules in physiological solution as well as for observing their intermolecular interactions in real-time. However, complex steps associated with its practice have made the approach daunting for non-specialists. We introduce an NMR platform that makes biomolecular NMR spectroscopy much more accessible by integrating tools, databases, web services, and video tutorials that can be launched by simple installation of NMRFAM software packages or using a cross-platform virtual machine that can be run on any standard laptop or desktop computer. The software package can be downloaded freely from the NMRFAM software download page ( http://pine.nmrfam.wisc.edu/download_packages.html ), and detailed instructions are available from the Integrative NMR Video Tutorial page ( http://pine.nmrfam.wisc.edu/integrative.html ).

  18. NMR characterization of thin films

    DOEpatents

    Gerald II, Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2010-06-15

    A method, apparatus, and system for characterizing thin film materials. The method, apparatus, and system includes a container for receiving a starting material, applying a gravitational force, a magnetic force, and an electric force or combinations thereof to at least the starting material, forming a thin film material, sensing an NMR signal from the thin film material and analyzing the NMR signal to characterize the thin film of material.

  19. Optical pumping and xenon NMR

    SciTech Connect

    Raftery, M. Daniel

    1991-11-01

    Nuclear Magnetic Resonance (NMR) spectroscopy of xenon has become an important tool for investigating a wide variety of materials, especially those with high surface area. The sensitivity of its chemical shift to environment, and its chemical inertness and adsorption properties make xenon a particularly useful NMR probe. This work discusses the application of optical pumping to enhance the sensitivity of xenon NMR experiments, thereby allowing them to be used in the study of systems with lower surface area. A novel method of optically-pumping 129Xe in low magnetic field below an NMR spectrometer and subsequent transfer of the gas to high magnetic field is described. NMR studies of the highly polarized gas adsorbed onto powdered samples with low to moderate surface areas are now possible. For instance, NMR studies of optically-pumped xenon adsorbed onto polyacrylic acid show that xenon has a large interaction with the surface. By modeling the low temperature data in terms of a sticking probability and the gas phase xenon-xenon interaction, the diffusion coefficient for xenon at the surface of the polymer is determined. The sensitivity enhancement afforded by optical pumping also allows the NMR observation of xenon thin films frozen onto the inner surfaces of different sample cells. The geometry of the thin films results in interesting line shapes that are due to the bulk magnetic susceptibility of xenon. Experiments are also described that combine optical pumping with optical detection for high sensitivity in low magnetic field to observe the quadrupoler evolution of 131 Xe spins at the surface of the pumping cells. In cells with macroscopic asymmetry, a residual quadrupolar interaction causes a splitting in the 131Xe NMR frequencies in bare Pyrex glass cells and cells with added hydrogen.

  20. Optical pumping and xenon NMR

    SciTech Connect

    Raftery, M.D.

    1991-11-01

    Nuclear Magnetic Resonance (NMR) spectroscopy of xenon has become an important tool for investigating a wide variety of materials, especially those with high surface area. The sensitivity of its chemical shift to environment, and its chemical inertness and adsorption properties make xenon a particularly useful NMR probe. This work discusses the application of optical pumping to enhance the sensitivity of xenon NMR experiments, thereby allowing them to be used in the study of systems with lower surface area. A novel method of optically-pumping [sup 129]Xe in low magnetic field below an NMR spectrometer and subsequent transfer of the gas to high magnetic field is described. NMR studies of the highly polarized gas adsorbed onto powdered samples with low to moderate surface areas are now possible. For instance, NMR studies of optically-pumped xenon adsorbed onto polyacrylic acid show that xenon has a large interaction with the surface. By modeling the low temperature data in terms of a sticking probability and the gas phase xenon-xenon interaction, the diffusion coefficient for xenon at the surface of the polymer is determined. The sensitivity enhancement afforded by optical pumping also allows the NMR observation of xenon thin films frozen onto the inner surfaces of different sample cells. The geometry of the thin films results in interesting line shapes that are due to the bulk magnetic susceptibility of xenon. Experiments are also described that combine optical pumping with optical detection for high sensitivity in low magnetic field to observe the quadrupoler evolution of 131 Xe spins at the surface of the pumping cells. In cells with macroscopic asymmetry, a residual quadrupolar interaction causes a splitting in the [sup 131]Xe NMR frequencies in bare Pyrex glass cells and cells with added hydrogen.

  1. NMR characterization of thin films

    DOEpatents

    Gerald, II, Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2008-11-25

    A method, apparatus, and system for characterizing thin film materials. The method, apparatus, and system includes a container for receiving a starting material, applying a gravitational force, a magnetic force, and an electric force or combinations thereof to at least the starting material, forming a thin film material, sensing an NMR signal from the thin film material and analyzing the NMR signal to characterize the thin film of material.

  2. Localized double-quantum-filtered 1H NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Thomas, M. A.; Hetherington, H. P.; Meyerhoff, D. J.; Twieg, D. B.

    The image-guided in vivo spectroscopic (ISIS) pulse sequence has been combined with a double-quantum-filter scheme in order to obtain localized and water-suppressed 1H NMR spectra of J-coupled metabolites. The coherence-transfer efficiency associated with the DQ filter for AX and A 3X spin systems is described. Phantom results of carnosine, alanine, and ethanol in aqueous solution are presented. For comparison, the 1H NMR spectrum of alanine in aqueous solution with the binomial (1331, 2662) spin-echo sequence is also shown.

  3. Spatially resolved spectroscopy using tapered stripline NMR

    NASA Astrophysics Data System (ADS)

    Tijssen, Koen C. H.; Bart, Jacob; Tiggelaar, Roald M.; Janssen, J. W. G. (Hans); Kentgens, Arno P. M.; van Bentum, P. Jan M.

    2016-02-01

    Magnetic field B0 gradients are essential in modern Nuclear Magnetic Resonance spectroscopy and imaging. Although RF/B1 gradients can be used to fulfill a similar role, this is not used in common practice because of practical limitations in the design of B1 gradient coils. Here we present a new method to create B1 gradients using stripline RF coils. The conductor-width of a stripline NMR chip and the strength of its radiofrequency field are correlated, so a stripline chip can be tapered to produce any arbitrary shaped B1 field gradient. Here we show the characterization of this tapered stripline configuration and demonstrate three applications: magnetic resonance imaging on samples with nL-μL volumes, reaction monitoring of fast chemical reactions (10-2-101 s) and the compensation of B0 field gradients to obtain high-resolution spectra in inhomogeneous magnetic fields.

  4. Tracking Sodium-Antimonide Phase Transformations in Sodium-Ion Anodes: Insights from Operando Pair Distribution Function Analysis and Solid-State NMR Spectroscopy

    PubMed Central

    2016-01-01

    Operando pair distribution function (PDF) analysis and ex situ 23Na magic-angle spinning solid-state nuclear magnetic resonance (MAS ssNMR) spectroscopy are used to gain insight into the alloying mechanism of high-capacity antimony anodes for sodium-ion batteries. Subtraction of the PDF of crystalline NaxSb phases from the total PDF, an approach constrained by chemical phase information gained from 23Na ssNMR in reference to relevant model compounds, identifies two previously uncharacterized intermediate species formed electrochemically; a-Na3–xSb (x ≈ 0.4–0.5), a structure locally similar to crystalline Na3Sb (c-Na3Sb) but with significant numbers of sodium vacancies and a limited correlation length, and a-Na1.7Sb, a highly amorphous structure featuring some Sb–Sb bonding. The first sodiation breaks down the crystalline antimony to form first a-Na3–xSb and, finally, crystalline Na3Sb. Desodiation results in the formation of an electrode formed of a composite of crystalline and amorphous antimony networks. We link the different reactivity of these networks to a series of sequential sodiation reactions manifesting as a cascade of processes observed in the electrochemical profile of subsequent cycles. The amorphous network reacts at higher voltages reforming a-Na1.7Sb, then a-Na3–xSb, whereas lower potentials are required for the sodiation of crystalline antimony, which reacts to form a-Na3–xSb without the formation of a-Na1.7Sb. a-Na3–xSb is converted to crystalline Na3Sb at the end of the second discharge. We find no evidence of formation of NaSb. Variable temperature 23Na NMR experiments reveal significant sodium mobility within c-Na3Sb; this is a possible contributing factor to the excellent rate performance of Sb anodes. PMID:26824406

  5. Tracking Sodium-Antimonide Phase Transformations in Sodium-Ion Anodes: Insights from Operando Pair Distribution Function Analysis and Solid-State NMR Spectroscopy

    DOE PAGES

    Allan, Phoebe K.; Griffin, John M.; Darwiche, Ali; ...

    2016-01-29

    We use operando pair distribution function (PDF) analysis and ex situ 23Na magic-angle spinning solid-state nuclear magnetic resonance (MAS ssNMR) spectroscopy to gain insight into the alloying mechanism of high-capacity antimony anodes for sodium-ion batteries. Subtraction of the PDF of crystalline NaxSb phases from the total PDF, an approach constrained by chemical phase information gained from 23Na ssNMR in reference to relevant model compounds, identifies two previously uncharacterized intermediate species formed electrochemically; a-Na3–xSb (x ≈ 0.4–0.5), a structure locally similar to crystalline Na3Sb (c-Na3Sb) but with significant numbers of sodium vacancies and a limited correlation length, and a-Na1.7Sb, a highlymore » amorphous structure featuring some Sb–Sb bonding. The first sodiation breaks down the crystalline antimony to form first a-Na3–xSb and, finally, crystalline Na3Sb. Desodiation results in the formation of an electrode formed of a composite of crystalline and amorphous antimony networks. We link the different reactivity of these networks to a series of sequential sodiation reactions manifesting as a cascade of processes observed in the electrochemical profile of subsequent cycles. The amorphous network reacts at higher voltages reforming a-Na1.7Sb, then a-Na3–xSb, whereas lower potentials are required for the sodiation of crystalline antimony, which reacts to form a-Na3–xSb without the formation of a-Na1.7Sb. a-Na3–xSb is converted to crystalline Na3Sb at the end of the second discharge. In the end, we find no evidence of formation of NaSb. Variable temperature 23Na NMR experiments reveal significant sodium mobility within c-Na3Sb; this is a possible contributing factor to the excellent rate performance of Sb anodes.« less

  6. 30 Years of sodium/X-nuclei magnetic resonance imaging.

    PubMed

    Konstandin, Simon; Schad, Lothar R

    2014-02-01

    In principle, all nuclei with nonzero spin can be employed for magnetic resonance imaging (MRI). Special scanner hardware and MR sequences are required to select the nucleus-specific frequency and to enable imaging with "sufficient" signal-to-noise ratio. This Special Issue starts with an overview of different nuclei that can be used for MRI today, followed by a review article about techniques required for imaging of quadrupolar nuclei with short relaxation times. Sequence developments to improve image quality and applications on different organs and diseases are presented for different nuclei ((23)Na, (35)Cl, (17)O, and (19)F), with a focus on imaging at natural abundance.

  7. Nondestructive NMR technique for moisture determination in radioactive materials.

    SciTech Connect

    Aumeier, S.; Gerald, R.E. II; Growney, E.; Nunez, L.; Kaminski, M.

    1998-12-04

    This progress report focuses on experimental and computational studies used to evaluate nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) for detecting, quantifying, and monitoring hydrogen and other magnetically active nuclei ({sup 3}H, {sup 3}He, {sup 239}Pu, {sup 241}Pu) in Spent nuclear fuels and packaging materials. The detection of moisture by using a toroid cavity NMR imager has been demonstrated in SiO{sub 2} and UO{sub 2} systems. The total moisture was quantified by means of {sup 1}H NMR detection of H{sub 2}O with a sensitivity of 100 ppm. In addition, an MRI technique that was used to determine the moisture distribution also enabled investigators to discriminate between bulk and stationary water sorbed on the particles. This imaging feature is unavailable in any other nondestructive assay (NDA) technique. Following the initial success of this program, the NMR detector volume was scaled up from the original design by a factor of 2000. The capacity of this detector exceeds the size specified by DOE-STD-3013-96.

  8. Whole-core analysis by sup 13 C NMR

    SciTech Connect

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

    1991-06-01

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

  9. NMR/MRI with hyperpolarized gas and high Tc SQUID

    DOEpatents

    Schlenga, Klaus; de Souza, Ricardo E.; Wong-Foy, Annjoe; Clarke, John; Pines, Alexander

    2000-01-01

    A method and apparatus for the detection of nuclear magnetic resonance (NMR) signals and production of magnetic resonance imaging (MRI) from samples combines the use of hyperpolarized inert gases to enhance the NMR signals from target nuclei in a sample and a high critical temperature (Tc) superconducting quantum interference device (SQUID) to detect the NMR signals. The system operates in static magnetic fields of 3 mT or less (down to 0.1 mT), and at temperatures from liquid nitrogen (77K) to room temperature. Sample size is limited only by the size of the magnetic field coils and not by the detector. The detector is a high Tc SQUID magnetometer designed so that the SQUID detector can be very close to the sample, which can be at room temperature.

  10. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1988-01-01

    This report covers the progress made on the title project during the current reporting period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines we are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. This quarter we have focused on variable temperature spin lattice relaxation measurements for several of the Argonne coals. 5 figs.

  11. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1988-01-01

    This report covers the progress made on the title project during the current reporting period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines we are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. This quarter we have focussed on spin lattice relaxation measurements for several of the Argonne coals. 2 figs., 1 tab.

  12. NMR planar microcoil for microanalysis

    NASA Astrophysics Data System (ADS)

    Sorli, B.; Chateaux, J. F.; Quiquerez, L.; Bouchet-Fakri, L.; Briguet, A.; Morin, P.

    2006-11-01

    This article deals with the analysis of small sample volume by using a planar microcoil and a micromachined cavity. This microcoil is used as a nuclear magnetic resonance (NMR) radio frequency detection coil in order to perform in vitro NMR analysis of the sample introduced into the microcavity. It is a real challenging task to develop microsystem for NMR spectrum extraction for smaller and smaller sample volume. Moreover, it is advantageous that these microsystems could be integrated in a Micro Total Analysing System (μ -TAS) as an analysing tool. In this paper, NMR theory, description, fabrication process and electrical characterization of planar microcoils receiver are described. Results obtained on NMR microspectroscopy experiments have been performed on water and ethanol, using a 1 mm diameter planar coil. This microcoil is tuned and matched at 85.13 MHz which is the Larmor frequency of proton in a 2 T magnetic field. This paper has been presented at “3e colloque interdisciplinaire en instrumentation (C2I 2004)”, École Normale Supérieure de Cachan, 29 30 janvier 2004.

  13. NMR characterization of shocked quartz

    SciTech Connect

    Boslough, M.B.; Cygan, R.T.; Assink, R.A.; Kirkpatrick, R.J.

    1994-03-01

    We have characterized experimentally and naturally-shocked quartz (both synthetic and natural samples) by solid state nuclear magnetic resonance (NMR) spectroscopy. Relaxation analysis of experimentally-shocked samples provides a means for quantitative characterization of the amorphous/disordered silica component NMR spectra demonstrate that magnetization in both the amorphous and crystalline components follows power-law behavior as a function of recycle time. This observation is consistent with the relaxation of nuclear spins by paramagnetic impurities. A fractal dimension can be extracted from the power-law exponent associated with each phase, and relative abundances can be extracted from integrated intensities of deconvolved peaks. NMR spectroscopy of naturally-shocked sandstone from Meteor Crater, Arizona (USA) led to the discovery of a new amorphous hydroxylated silica phase. Solid state NMR spectra of both experimentally and naturally shocked quartz were unexpectedly rich in microstructural information, especially when combined with relaxation analysis and cross-polarization studies. We suggest solid state NMR as a potentially useful tool for examining shock-induced microstructural changes in other inorganic compounds, with possible implications for shock processing of structural ceramics.

  14. Development of a superconducting bulk magnet for NMR and MRI

    NASA Astrophysics Data System (ADS)

    Nakamura, Takashi; Tamada, Daiki; Yanagi, Yousuke; Itoh, Yoshitaka; Nemoto, Takahiro; Utumi, Hiroaki; Kose, Katsumi

    2015-10-01

    A superconducting bulk magnet composed of six vertically stacked annular single-domain c-axis-oriented Eu-Ba-Cu-O crystals was energized to 4.74 T using a conventional superconducting magnet for high-resolution NMR spectroscopy. Shim coils, gradient coils, and radio frequency coils for high resolution NMR and MRI were installed in the 23 mm-diameter room-temperature bore of the bulk magnet. A 6.9 ppm peak-to-peak homogeneous region suitable for MRI was achieved in the central cylindrical region (6.2 mm diameter, 9.1 mm length) of the bulk magnet by using a single layer shim coil. A 21 Hz spectral resolution that can be used for high resolution NMR spectroscopy was obtained in the central cylindrical region (1.3 mm diameter, 4 mm length) of the bulk magnet by using a multichannel shim coil. A clear 3D MR image dataset of a chemically fixed mouse fetus with (50 μm)3 voxel resolution was obtained in 5.5 h. We therefore concluded that the cryogen-free superconducting bulk magnet developed in this study is useful for high-resolution desktop NMR, MRI and mobile NMR device.

  15. Improving NMR Structures of RNA

    PubMed Central

    Bermejo, Guillermo A.; Clore, G. Marius; Schwieters, Charles D.

    2016-01-01

    SUMMARY Here, we show that modern solution NMR structures of RNA exhibit more steric clashes and conformational ambiguities than their crystallographic X-ray counterparts. To tackle these issues, we developed RNA-ff1, a new force field for structure calculation with Xplor-NIH. Using seven published NMR datasets, RNA-ff1 improves covalent geometry and MolProbity validation criteria for clashes and backbone conformation in most cases, relative to both the previous Xplor-NIH force field and the original structures associated with the experimental data. In addition, with smaller base pair step rises in helical stems, RNA-ff1 structures enjoy more favorable base stacking. Finally, structural accuracy improves in the majority cases, as supported by complete residual dipolar coupling cross-validation. Thus, the reported advances show great promise in bridging the quality gap that separates NMR and X-ray structures of RNA. PMID:27066747

  16. Solution NMR conformation of glycosaminoglycans.

    PubMed

    Pomin, Vitor H

    2014-04-01

    Nuclear magnetic resonance (NMR) spectroscopy has been giving a pivotal contribution to the progress of glycomics, mostly by elucidating the structural, dynamical, conformational and intermolecular binding aspects of carbohydrates. Particularly in the field of conformation, NOE resonances, scalar couplings, residual dipolar couplings, and chemical shift anisotropy offsets have been the principal NMR parameters utilized. Molecular dynamics calculations restrained by NMR-data input are usually employed in conjunction to generate glycosidic bond dihedral angles. Glycosaminoglycans (GAGs) are a special class of sulfated polysaccharides extensively studied worldwide. Besides regulating innumerous physiological processes, these glycans are also widely explored in the global market as either clinical or nutraceutical agents. The conformational aspects of GAGs are key regulators to the quality of interactions with the functional proteins involved in biological events. This report discusses the solution conformation of each GAG type analyzed by one or more of the above-mentioned methods.

  17. Rectangle Surface Coil Array in a Grid Arrangement for Resonance Imaging

    DTIC Science & Technology

    2016-02-13

    switchable array, RF magnetic field, NQR, MRI, NMR , tuning, decoupling I. INTRODUCTION ESONANCE imaging can be accomplished using Nuclear Magnetic...Resonance ( NMR ) or Nuclear Quadrupole Resonance (NQR) techniques. REF [1] and [6] explain the differences between NMR and NQR. What NMR and NQR...4. Ohliger, M. “An introduction to coil array design for parallel MRI” NMR IN BIOMEDICINE NMR Biomed. 2006; 19: 300–315 Published online in Wiley

  18. Benchtop-NMR and MRI--a new analytical tool in drug delivery research.

    PubMed

    Metz, Hendrik; Mäder, Karsten

    2008-12-08

    During the last years, NMR spectroscopy and NMR imaging (magnetic resonance imaging, MRI) have been increasingly used to monitor drug delivery systems in vitro and in vivo. However, high installation and running costs of the commonly used superconducting magnet technology limits the application range and prevents the further spread of this non-invasive technology. Benchtop-NMR (BT-NMR) relaxometry uses permanent magnets and is much less cost intensive. BT-NMR relaxometry is commonly used in the food and chemical industry, but so far scarcely used in the pharmaceutical field. The paper shows on several examples that the application field of BT-NMR relaxometry can be extended into the field of drug delivery, including the characterisation of emulsions and lipid ingredients (e.g. the amount and physicochemical state of the lipid) and the monitoring of adsorption characteristics (e.g. oil binding of porous ingredients). The most exciting possibilities of BT-NMR technology are linked with the new development of BT-instruments with imaging capability. BT-MRI examples on the monitoring of hydration and swelling of HPMC-based monolayer and double-layer tablets are shown. BT-MRI opens new MRI opportunities for the non-invasive monitoring of drug delivery processes.

  19. ECG gated NMR-CT for cardiovascular diseases

    SciTech Connect

    Nishikawa, J.; Ohtake, T.; Machida, K.; Iio, M.; Yoshimoto, N.; Sugimoto, T.

    1985-05-01

    The authors have been applying ECG gated NMR-CT to mainly patients with myocardial infarction (MI), and hypertrophic cardiomyopathy (HCM). Thirteen patients with MI, 8 with HCM and 5 without any heart diseases were studied by ECG gated NMR imaging (spin-echo technique, TR: depends on patient heart rate, TE: 35 and 70 msec.) with 0.35 T superconducting magnet. On NMR images (MRI), the authors examined the wall thickness, wall motion and T/sub 2/ relaxation time in the area of diseased myocardium. The lesions of old MI were depicted as the area of thin wall and T/sub 2/ relaxation time of those lesions were similar to the area of non-infarcted myocardium. The lesions of recent MI (up to 3.5 months from the recent attack) were shown as the same wall thickness as the non-infarcted myocardium and the area of prolonged T/sub 2/ relaxation time compared with that of non-infarcted myocardium. MRI demonstrated diffusely thick myocardium in all patients with HCM. T/sub 2/ relaxation time of the areas of HCM was almost the same as that of normal myocardium, and it's difference among each ventricular wall in patients with HCM was not statistically significant. The authors conclude that ECG gated NMR-CT offers 3-D morphological information of the heart without any contrast material nor radioisotopes. ECG gated MRI provides the useful informations to diagnose MI, especially in the differential diagnosis between old and recent MI.

  20. Diffusional Properties of Methanogenic Granular Sludge: 1H NMR Characterization

    PubMed Central

    Lens, Piet N. L.; Gastesi, Rakel; Vergeldt, Frank; van Aelst, Adriaan C.; Pisabarro, Antonio G.; Van As, Henk

    2003-01-01

    The diffusive properties of anaerobic methanogenic and sulfidogenic aggregates present in wastewater treatment bioreactors were studied using diffusion analysis by relaxation time-separated pulsed-field gradient nuclear magnetic resonance (NMR) spectroscopy and NMR imaging. NMR spectroscopy measurements were performed at 22°C with 10 ml of granular sludge at a magnetic field strength of 0.5 T (20 MHz resonance frequency for protons). Self-diffusion coefficients of H2O in the investigated series of mesophilic aggregates were found to be 51 to 78% lower than the self-diffusion coefficient of free water. Interestingly, self-diffusion coefficients of H2O were independent of the aggregate size for the size fractions investigated. Diffusional transport occurred faster in aggregates growing under nutrient-rich conditions (e.g., the bottom of a reactor) or at high (55°C) temperatures than in aggregates cultivated in nutrient-poor conditions or at low (10°C) temperatures. Exposure of aggregates to 2.5% glutaraldehyde or heat (70 or 90°C for 30 min) modified the diffusional transport up to 20%. In contrast, deactivation of aggregates by HgCl2 did not affect the H2O self-diffusion coefficient in aggregates. Analysis of NMR images of a single aggregate shows that methanogenic aggregates possess a spin-spin relaxation time and self-diffusion coefficient distribution, which are due to both physical (porosity) and chemical (metal sulfide precipitates) factors. PMID:14602624

  1. High temperature NMR study of the local structure of molten LaF3-AF (A = Li, Na, K and Rb) mixtures.

    PubMed

    Rollet, Anne-Laure; Godier, Stéphanie; Bessada, Catherine

    2008-06-14

    The local structures of molten lanthanum alkali fluoride binaries have been studied using HT NMR technique. The chemical shifts of (19)F, (23)Na and (139)La in solid and in liquid have been compared for AF (A = alkali) and LaF(3). In pure molten alkali fluorides, the polarisability of anion-cation pairs appears to be a key parameter to depict the observed evolution of (19)F chemical shifts. The influence of the composition has also been studied by measuring the chemical shifts in molten LaF(3)-AF as a function of LaF(3) concentration. A strong influence of the alkali influence is observed. The coordination number of lanthanum is decreased versus AF amount all the more since the alkali atomic number is high. Moreover, the more polarisable the alkali, the less bridging fluorines between the LaF(x) units.

  2. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1990-01-01

    This report covers the progress made on the title project and summarizes the accomplishments for the project period. Four major areas of inquiry have been pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines the authors are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. The effects of very high MAS rates (>10 kHz) on cross polarization dynamics are also being investigated for similar reasons. The authors have concentrated on a theoretical treatment of pairs of tightly coupled spin {1/2} nuclei under magic angle spinning conditions. The average Hamiltonian theory developed here is required for a quantitative understanding of two dimensional NMR experiments of such spin pairs in solids. These experiments in turn provide a means of determining connectivities between resonances in solid state NMR spectra. Development of these techniques will allow us to establish connectivities between functional components in coals. The complete description of these spin dynamics has turned out to be complex, and is necessary to provide a foundation upon which such experiments may be quantitatively interpreted in complex mixtures such as coals. 25 refs., 4 figs., 3 tabs.

  3. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1989-01-01

    This report covers the progress made on the title project and summarizes the accomplishments for the project period. Four major areas of inquiry have been pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concern how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coals model. Along the same lines we are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. The effects of very high MAS rates (>10 kHz) on cross polarization dynamics are also being investigated for similar reasons. During the last quarter the authors have concentrated on improvements in cross polarization (CP) sequences with a goal of making the CP process insensitive to experimental conditions such as the magic angle spinning (MAS) rate. In order to be able to use fields the order of 7.0 T or higher, CP efficiency must be maintained at MAS rates of over 10 kHz. The standard sequences have severe limitations at these rates which lead to intensity distortions in {sup 13}C CPMAS spectra. Thus in order to be able to take advantage of the increases in sensitivity and resolution that accompany high field operation, improvements in the NMR methods are required. The new sequences the authors are developing will be especially important for quantitative analysis of coal structure by {sup 13}C solid state NMR at high field strengths. 13 refs., 7 figs., 2 tabs.

  4. ESI MS, NMR and PM5 semiempirical studies of oligomycin A and its complexes with Li + and Na + cations

    NASA Astrophysics Data System (ADS)

    Gierczyk, Błażej; Schroeder, Grzegorz; Przybylski, Piotr; Brzezinski, Bogumil; Bartl, Franz; Zundel, Georg

    2005-03-01

    The ability to complex formation of oligomycin A (OLA) with monovalent cations was studied by the ESI mass spectrometry, 1H, 13C, 7Li and 23Na NMR spectroscopic and PM5 semiempirical methods. The ESI MS spectra indicated that OLA formed stable 1:1 complexes with all monovalent cations irrespective of the stoichiometry and cone voltage values used. With increasing cone voltages only the degradations of the OLA-Li + and OLA-Na + complexes with formation of fragmentary metal cation complexes were found. For OLA complexes with K +, Rb + and Cs + cations, with increasing cone voltage the fragmentation of these complexes occurred without the formation of fragmentary metal cation complexes. On the basis of the NMR studies the assignment of the signals of hydroxyl groups in the spectrum of OLA was made and the spectra of its complexes evidenced the involvement of certain oxygen atoms in the complexation process. The PM5 semiempirical calculations allowed visualizations of all structures of the OLA—monovalent cation complexes as well as the fragmentary cations. The most interesting structure was found for OLA-Li + complex, in which the Li + cation is fully isolated from the interactions with the environment.

  5. "Solvent Effects" in 1H NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Cavaleiro, Jose A. S.

    1987-01-01

    Describes a simple undergraduate experiment in chemistry dealing with the "solvent effects" in nuclear magnetic resonance (NMR) spectroscopy. Stresses the importance of having students learn NMR spectroscopy as a tool in analytical chemistry. (TW)

  6. "Solvent Effects" in 1H NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Cavaleiro, Jose A. S.

    1987-01-01

    Describes a simple undergraduate experiment in chemistry dealing with the "solvent effects" in nuclear magnetic resonance (NMR) spectroscopy. Stresses the importance of having students learn NMR spectroscopy as a tool in analytical chemistry. (TW)

  7. Protein-Inhibitor Interaction Studies Using NMR

    PubMed Central

    Ishima, Rieko

    2015-01-01

    Solution-state NMR has been widely applied to determine the three-dimensional structure, dynamics, and molecular interactions of proteins. The designs of experiments used in protein NMR differ from those used for small-molecule NMR, primarily because the information available prior to an experiment, such as molecular mass and knowledge of the primary structure, is unique for proteins compared to small molecules. In this review article, protein NMR for structural biology is introduced with comparisons to small-molecule NMR, such as descriptions of labeling strategies and the effects of molecular dynamics on relaxation. Next, applications for protein NMR are reviewed, especially practical aspects for protein-observed ligand-protein interaction studies. Overall, the following topics are described: (1) characteristics of protein NMR, (2) methods to detect protein-ligand interactions by NMR, and (3) practical aspects of carrying out protein-observed inhibitor-protein interaction studies. PMID:26361636

  8. Push-through Direction Injectin NMR Automation

    EPA Science Inventory

    Nuclear magnetic resonance (NMR) and mass spectrometry (MS) are the two major spectroscopic techniques successfully used in metabolomics studies. The non-invasive, quantitative and reproducible characteristics make NMR spectroscopy an excellent technique for detection of endogeno...

  9. Push-through Direction Injectin NMR Automation

    EPA Science Inventory

    Nuclear magnetic resonance (NMR) and mass spectrometry (MS) are the two major spectroscopic techniques successfully used in metabolomics studies. The non-invasive, quantitative and reproducible characteristics make NMR spectroscopy an excellent technique for detection of endogeno...

  10. Computer Simulation of NMR Spectra.

    ERIC Educational Resources Information Center

    Ellison, A.

    1983-01-01

    Describes a PASCAL computer program which provides interactive analysis and display of high-resolution nuclear magnetic resonance (NMR) spectra from spin one-half nuclei using a hard-copy or monitor. Includes general and theoretical program descriptions, program capability, and examples of its use. (Source for program/documentation is included.)…

  11. Deuterium Exchange Kinetics by NMR.

    ERIC Educational Resources Information Center

    Roper, G. C.

    1985-01-01

    Describes a physical chemistry experiment which allows such concepts as kinetics, catalysis, isotope shifts, coupling constants, and the use of nuclear magnetic resonance (NMR) for quantitative work to be covered in the same exercise. Background information, experimental procedures used, and typical results obtained are included. (JN)

  12. Deuterium Exchange Kinetics by NMR.

    ERIC Educational Resources Information Center

    Roper, G. C.

    1985-01-01

    Describes a physical chemistry experiment which allows such concepts as kinetics, catalysis, isotope shifts, coupling constants, and the use of nuclear magnetic resonance (NMR) for quantitative work to be covered in the same exercise. Background information, experimental procedures used, and typical results obtained are included. (JN)

  13. Sensitivity enhancement of remotely coupled NMR detectors using wirelessly powered parametric amplification.

    PubMed

    Qian, Chunqi; Murphy-Boesch, Joseph; Dodd, Stephen; Koretsky, Alan

    2012-09-01

    A completely wireless detection coil with an integrated parametric amplifier has been constructed to provide local amplification and transmission of MR signals. The sample coil is one element of a parametric amplifier using a zero-bias diode that mixes the weak MR signal with a strong pump signal that is obtained from an inductively coupled external loop. The NMR sample coil develops current gain via reduction in the effective coil resistance. Higher gain can be obtained by adjusting the level of the pumping power closer to the oscillation threshold, but the gain is ultimately constrained by the bandwidth requirement of MRI experiments. A feasibility study here shows that on a NaCl/D(2) O phantom, (23) Na signals with 20 dB of gain can be readily obtained with a concomitant bandwidth of 144 kHz. This gain is high enough that the integrated coil with parametric amplifier, which is coupled inductively to external loops, can provide sensitivity approaching that of direct wire connection. Copyright © 2012 Wiley Periodicals, Inc.

  14. Sensitivity Enhancement of Remotely Coupled NMR Detectors using Wirelessly Powered Parametric Amplification

    PubMed Central

    Qian, Chunqi; Murphy-Boesch, Joseph; Dodd, Stephen; Koretsky, Alan

    2011-01-01

    A completely wireless detection coil with an integrated parametric amplifier has been constructed to provide local amplification and transmission of MR signals. The sample coil is one element of a parametric amplifier using a zero-bias diode that mixes the weak MR signal with a strong pump signal that is obtained from an inductively coupled external loop. The NMR sample coil develops current gain via reduction in the effective coil resistance. Higher gain can be obtained by adjusting the level of the pumping power closer to the oscillation threshold, but the gain is ultimately constrained by the bandwidth requirement of MRI experiments. A feasibility study here shows that on a NaCl/D2O phantom, 23Na signals with 20 dB of gain can be readily obtained with a concomitant bandwidth of 144 kHz. This gain is high enough that the integrated coil with parametric amplifier, which is coupled inductively to external loops, can provide sensitivity approaching that of direct wire connection. PMID:22246567

  15. Quadrupole-Echo Techniques in Multiple-Quantum-Filtered NMR Spectroscopy of Heterogeneous Systems

    NASA Astrophysics Data System (ADS)

    Eliav, U.; Navon, G.

    Multiple-quantum-filtered quadrupole-echo pulse sequences for spin I = 1 and I = {3}/{2} are suggested. A general condition for obtaining simultaneously Zeeman and quadrupolar echo is formulated. A theoretical analysis of the various pulse sequences was performed on the basis of second-order perturbation approximation of the Liouville equation for the density matrix. The extent of refocusing as a function of the ratio of the residual quadrupolar interaction and the relaxation rates was calculated. Experimental results are presented for 2H and 23Na in cartilage as an example of a heterogeneous system with residual quadrupolar interaction. The difference between relaxation times measured by the multiple-quantum-filtered echo techniques and those measured by conventional multiple-quantum-filtered NMR spectroscopy is a simple diagnostic of anisotropic motion that leads to a residual quadrupolar interaction. The results of the echo experiments are compared with the relaxation times computed on the basis of lineshape analysis of double-quantum-filtered spectra of a heterogeneous system.

  16. Structural investigations of borosilicate glasses containing MoO 3 by MAS NMR and Raman spectroscopies

    NASA Astrophysics Data System (ADS)

    Caurant, D.; Majérus, O.; Fadel, E.; Quintas, A.; Gervais, C.; Charpentier, T.; Neuville, D.

    2010-01-01

    High molybdenum concentration in glass compositions may lead to alkali and alkaline-earth molybdates crystallization during melt cooling that must be controlled particularly during the preparation of highly radioactive nuclear glassy waste forms. To understand the effect of molybdenum addition on the structure of a simplified nuclear glass and to know how composition changes can affect molybdates crystallization tendency, the structure of two glass series belonging to the SiO 2-B 2O 3-Na 2O-CaO-MoO 3 system was studied by 29Si, 11B, 23Na MAS NMR and Raman spectroscopies by increasing MoO 3 or B 2O 3 concentrations. Increasing MoO 3 amount induced an increase of the silicate network reticulation but no significant effect was observed on the proportion of BO4- units and on the distribution of Na + cations in glass structure. By increasing B 2O 3 concentration, a strong evolution of the distribution of Na + cations was observed that could explain the evolution of the nature of molybdate crystals (CaMoO 4 or Na 2MoO 4) formed during melt cooling.

  17. Quadrupolar NMR Relaxation from ab Initio Molecular Dynamics: Improved Sampling and Cluster Models versus Periodic Calculations.

    PubMed

    Philips, Adam; Marchenko, Alex; Truflandier, Lionel A; Autschbach, Jochen

    2017-09-12

    Quadrupolar NMR relaxation rates are computed for (17)O and (2)H nuclei of liquid water, and of (23)Na(+), and (35)Cl(-) in aqueous solution via Kohn-Sham (KS) density functional theory ab initio molecular dynamics (aiMD) and subsequent KS electric field gradient (EFG) calculations along the trajectories. The calculated relaxation rates are within about a factor of 2 of experimental results and improved over previous aiMD simulations. The relaxation rates are assessed with regard to the lengths of the simulations as well as configurational sampling. The latter is found to be the more limiting factor in obtaining good statistical sampling and is improved by averaging over many equivalent nuclei of a system or over several independent trajectories. Further, full periodic plane-wave basis calculations of the EFGs are compared with molecular-cluster atomic-orbital basis calculations. The two methods deliver comparable results with nonhybrid functionals. With the molecular-cluster approach, a larger variety of electronic structure methods is available. For chloride, the EFG computations benefit from using a hybrid KS functional.

  18. Brute-Force Hyperpolarization for NMR and MRI.

    PubMed

    Hirsch, Matthew L; Kalechofsky, Neal; Belzer, Avrum; Rosay, Melanie; Kempf, James G

    2015-07-08

    Hyperpolarization (HP) of nuclear spins is critical for ultrasensitive nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI). We demonstrate an approach for >1500-fold enhancement of key small-molecule metabolites: 1-(13)C-pyruvic acid, 1-(13)C-sodium lactate, and 1-(13)C-acetic acid. The (13)C solution NMR signal of pyruvic acid was enhanced 1600-fold at B = 1 T and 40 °C by pre-polarizing at 14 T and ∼2.3 K. This "brute-force" approach uses only field and temperature to generate HP. The noted 1 T observation field is appropriate for benchtop NMR and near the typical 1.5 T of MRI, whereas high-field observation scales enhancement as 1/B. Our brute-force process ejects the frozen, solid sample from the low-T, high-B polarizer, passing it through low field (B < 100 G) to facilitate "thermal mixing". That equilibrates (1)H and (13)C in hundreds of milliseconds, providing (13)C HP from (1)H Boltzmann polarization attained at high B/T. The ejected sample arrives at a room-temperature, permanent magnet array, where rapid dissolution with 40 °C water yields HP solute. Transfer to a 1 T NMR system yields (13)C signals with enhancements at 80% of ideal for noted polarizing conditions. High-resolution NMR of the same product at 9.4 T had consistent enhancement plus resolution of (13)C shifts and J-couplings for pyruvic acid and its hydrate. Comparable HP was achieved with frozen aqueous lactate, plus notable enhancement of acetic acid, demonstrating broader applicability for small-molecule NMR and metabolic MRI. Brute-force avoids co-solvated free-radicals and microwaves that are essential to competing methods. Here, unadulterated samples obviate concerns about downstream purity and also exhibit slow solid-state spin relaxation, favorable for transporting HP samples.

  19. Optical pumping effect in absorption imaging of F =1 atomic gases

    NASA Astrophysics Data System (ADS)

    Kim, Sooshin; Seo, Sang Won; Noh, Heung-Ryoul; Shin, Y.

    2016-08-01

    We report our study of the optical pumping effect in absorption imaging of 23Na atoms in the F =1 hyperfine spin states. Solving a set of rate equations for the spin populations in the presence of a probe beam, we obtain an analytic expression for the optical signal of the F =1 absorption imaging. Furthermore, we verify the result by measuring the absorption spectra of 23Na Bose-Einstein condensates prepared in various spin states with different probe-beam pulse durations. The analytic result can be used in the quantitative analysis of F =1 spinor condensate imaging and readily applied to other alkali-metal atoms with I =3 /2 nuclear spin such as 87Rb.

  20. Joint numerical microscale simulations of multi-phase flow and NMR relaxation behaviour in porous media

    NASA Astrophysics Data System (ADS)

    Mohnke, O.; Ahrenholz, B.

    2011-12-01

    Nuclear Magnetic Resonance (NMR) is a useful tool for analyzing gas (methane) and fluids (water, oil) in rock formations in order to derive transport and storage properties such as pore-size distributions or relative permeability. Even though there is considerable NMR data available about hydraulic properties of rock formations, this information is only empirical. Thus, the aim of this paper is to present joint NMR and multi-phase flow simulations in micro-scale pore systems derived from micro-CT images to quantify relationships between NMR parameters and transport and storage properties of partially saturated rocks. Hereby, the NMR differential equations were implemented using an advection/diffusion lattice-Boltzmann method (LBM) where the flow field is computed by a coupled LBM CFD solver. The results of numerical imbibition and drainage experiments quantitatively agree with laboratory experiments with regard to frequently found peak shifts and bimodal NMR decay time distributions related to residual water in films and corners as well as to fluids/gases trapped in large pores. This numerical framework enables one to quantitatively describe NMR surface and bulk relaxation processes, diffusive coupling along with the multi-phase flow properties of partially saturated porous systems. Furthermore, it is a viable alternative to the more time-consuming and less controllable laboratory experiments. Such virtual experimental setups can considerably help to benchmark and validate statistical network models to better understand hydraulic properties of partially saturated rocks by using experimentally obtained NMR data.

  1. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1992-05-27

    This report covers the progress made on the title project for the project period. Four major areas of inquiry are being pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups that determine the reactivity of coals. Special attention is being paid to methods that are compatible with the very high magic angle sample spinning rates needed for operation at the high magnetic field strengths available today. Polarization inversion methods utilizing the difference in heat capacities of small groups of spins are particularly promising. Methods combining proton-proton spin diffusion with {sup 13}C CPMAS readout are being developed to determine the connectivity of functional groups in coals in a high sensitivity relay type of experiment. Additional work is aimed a delineating the role of methyl group rotation in the proton NMR relaxation behavior of coals.

  2. NMR studies of selective population inversion and spin clustering

    SciTech Connect

    Baum, J.S.

    1986-02-01

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

  3. SEnD NMR: Sensitivity Enhanced n-Dimensional NMR

    NASA Astrophysics Data System (ADS)

    Gledhill, John M.; Wand, A. Joshua

    2010-02-01

    Sparse sampling offers tremendous potential for overcoming the time limitations imposed by traditional Cartesian sampling of indirectly detected dimensions of multidimensional NMR data. However, in many instances sensitivity rather than time remains of foremost importance when collecting data on protein samples. Here we explore how to optimize the collection of radial sampled multidimensional NMR data to achieve maximal signal-to-noise. A method is presented that exploits a rigorous definition of the minimal set of radial sampling angles required to resolve all peaks of interest in combination with a fundamental statistical property of radial sampled data. The approach appears general and can achieve a substantial sensitivity advantage over Cartesian sampling for the same total data acquisition time. Termed Sensitivity Enhanced n-Dimensional or SEnD NMR, the method involves three basic steps. First, data collection is optimized using routines to determine a minimal set of radial sampling angles required to resolve frequencies in the radially sampled chemical shift evolution dimensions. Second, appropriate combinations of experimental parameters (transients and increments) are defined by simple statistical considerations in order to optimize signal-to-noise in single angle frequency domain spectra. Finally, the data is processed with a direct multidimensional Fourier transform and a statistical artifact and noise removal step is employed.

  4. Two dimensional NMR and NMR relaxation studies of coal structure

    SciTech Connect

    Zilm, K.W.

    1989-01-01

    This report covers the progress made on the title project and summarizes the accomplishments for the project period. Four major areas of inquiry have been pursued. Advanced solid state NMR methods are being developed to assay the distribution of the various important functional groups in coals that determine the reactivity of coals. Other methods are being developed which will also determine how these functional groups are linked together. A third area of investigation concerns how molecular mobility in coals impacts NMR relaxation times, which is important for interpretation of such data in terms of the mobile phase in coal models. Along the same lines the author are also using these studies to establish protocols for obtaining the best quantitative response from coals in solid state C-13 NMR spectra. The effects of very high MAS rates (>10 kHz) on cross polarization dynamics are also being investigated for similar reasons. During the last quarter the authors has concentrated on improvements in cross polarization (CP) sequences with a goal of making the CP process insensitive to experimental conditions such as the Hartmann-Hahn mismatch. It has been found that the usual theories of CP are incorrect, and that the CP process is very heterogeneous in nature. This has significant implications on methods typically used in quantifying {sup 13}C CPMAS spectra of coals. 19 refs., 11 figs.

  5. Ultra-low-field NMR relaxation and diffusion measurements using an optical magnetometer.

    PubMed

    Ganssle, Paul J; Shin, Hyun D; Seltzer, Scott J; Bajaj, Vikram S; Ledbetter, Micah P; Budker, Dmitry; Knappe, Svenja; Kitching, John; Pines, Alexander

    2014-09-08

    Nuclear magnetic resonance (NMR) relaxometry and diffusometry are important tools for the characterization of heterogeneous materials and porous media, with applications including medical imaging, food characterization and oil-well logging. These methods can be extremely effective in applications where high-resolution NMR is either unnecessary, impractical, or both, as is the case in the emerging field of portable chemical characterization. Here, we present a proof-of-concept experiment demonstrating the use of high-sensitivity optical magnetometers as detectors for ultra-low-field NMR relaxation and diffusion measurements.

  6. Applications of Nanoscale NMR Using Ensembles of NV Centers in Diamond

    NASA Astrophysics Data System (ADS)

    Bucher, Dominik; Glenn, David; Walsworth, Ronald

    2016-05-01

    Ensembles of nitrogen vacancy (NV) centers in diamond are now the frontier modality for nuclear magnetic resonance (NMR) signals at length-scales of microns to Angstroms. Promising applications including NMR and nuclear quadrupole resonance (NQR) spectroscopy in sub-nanoliter volumes, studies of diffusion and transport in small samples of biological tissue, and magnetic resonance imaging (MRI) of individual biological cells and molecules. Here, we describe recent progress toward such applications.

  7. Simultaneous measurement of rock permeability and effective porosity using laser-polarized noble gas NMR

    NASA Astrophysics Data System (ADS)

    Wang, R.; Mair, R. W.; Rosen, M. S.; Cory, D. G.; Walsworth, R. L.

    2004-08-01

    We report simultaneous measurements of the permeability and effective porosity of oil-reservoir rock cores using one-dimensional NMR imaging of the penetrating flow of laser-polarized xenon gas. The permeability result agrees well with industry standard techniques, whereas effective porosity is not easily determined by other methods. This NMR technique may have applications to the characterization of fluid flow in a wide variety of porous and granular media.

  8. SQUID-detected NMR and MRI in microtesla magnetic fields

    NASA Astrophysics Data System (ADS)

    McDermott, Robert Francis

    A low transition temperature do Superconducting QUantum Interference Device (low-Tc do SQUID) was used to perform liquid-state nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) experiments in magnetic fields from microtesla to tens of microtesla, corresponding to proton Larmor frequencies from tens of Hz to kHz. The spins were polarized in a magnetic field of the order of millitesla. Upon turnoff of the polarizing field, precession was induced in the much weaker measurement field. Because the SQUID magnetometer was operated with an untuned, superconducting, input circuit, the integrated intensity of the NMR lines was independent of the strength of the measurement field. On the other hand, the NMR linewidth scaled linearly with the measurement field strength. Narrowing of the NMR signal bandwidth through reduction of the strength of the measurement field led to an enhancement of both spectral resolution and signal-to-noise ratio (SNR). A novel cryogenic insert was constructed to allow SQUID measurement of NMR signals from room temperature samples with high filling factor. From samples with volume of a few milliliters and thermal polarization of order 10 -8, SNR of a few tens were achieved in a single shot. Heteronuclear scalar couplings were resolved in 1H-31P and 1H-13C systems. Furthermore, the frequency-independent sensitivity of the untuned SQUID magnetometer allowed simultaneous detection of NMR signals from nuclei with different magnetogyric ratios. A system based on a low-Tc SQUID gradiometer was used to acquire MRIs from distilled water and mineral oil phantoms in microtesla fields. The bandwidth-narrowing technique was exploited to enhance spatial resolution for a fixed strength of the encoding gradients. With magnetic field gradients of the order of tens of microtesla per meter, images with spatial resolution of a millimeter were achieved. The techniques described in this thesis could readily be adapted for use with multichannel SQUID

  9. Video Toroid Cavity Imager

    DOEpatents

    Gerald, II, Rex E.; Sanchez, Jairo; Rathke, Jerome W.

    2004-08-10

    A video toroid cavity imager for in situ measurement of electrochemical properties of an electrolytic material sample includes a cylindrical toroid cavity resonator containing the sample and employs NMR and video imaging for providing high-resolution spectral and visual information of molecular characteristics of the sample on a real-time basis. A large magnetic field is applied to the sample under controlled temperature and pressure conditions to simultaneously provide NMR spectroscopy and video imaging capabilities for investigating electrochemical transformations of materials or the evolution of long-range molecular aggregation during cooling of hydrocarbon melts. The video toroid cavity imager includes a miniature commercial video camera with an adjustable lens, a modified compression coin cell imager with a fiat circular principal detector element, and a sample mounted on a transparent circular glass disk, and provides NMR information as well as a video image of a sample, such as a polymer film, with micrometer resolution.

  10. Sorption isotherm measurements by NMR.

    PubMed

    Leisen, Johannes; Beckham, Haskell W; Benham, Michael

    2002-01-01

    An experimental setup is described for the automated recording of sorption isotherms by NMR experiments at precisely defined levels of relative humidity (RH). Implementation is demonstrated for a cotton fabric; Bloch decays. T1 and T2* relaxation times were measured at predefined steps of increasing and decreasing relative humidities (RHs) so that a complete isotherm of NMR properties was obtained. Bloch decays were analyzed by fitting to relaxation functions consisting or a slow- and a fast-relaxing component. The fraction of slow-relaxing component was greater than the fraction of sorbed moisture determined from gravimetric sorption data. The excess slow-relaxing component was attributed to plasticized segments of the formerly rigid cellulose matrix. T1 and T2* sorption isotherms exhibit hysteresis similar to gravimetric sorption isotherms. However, correlating RH to moisture content (MC) reveals that both relaxation constants depend only on MC, and not on the history of moisture exposure.

  11. Two-dimensional NMR spectrometry

    SciTech Connect

    Farrar, T.C.

    1987-06-01

    This article is the second in a two-part series. In part one (ANALYTICAL CHEMISTRY, May 15) the authors discussed one-dimensional nuclear magnetic resonance (NMR) spectra and some relatively advanced nuclear spin gymnastics experiments that provide a capability for selective sensitivity enhancements. In this article and overview and some applications of two-dimensional NMR experiments are presented. These powerful experiments are important complements to the one-dimensional experiments. As in the more sophisticated one-dimensional experiments, the two-dimensional experiments involve three distinct time periods: a preparation period, t/sub 0/; an evolution period, t/sub 1/; and a detection period, t/sub 2/.

  12. Work in progress: NMR anatomy of the larynx and tongue base

    SciTech Connect

    Lufkin, R.B.; Larsson, S.G.; Hanafee, W.N.

    1983-07-01

    The normal anatomy of the larynx and base of the tongue as seen on nuclear magnetic resonance (NMR) images was studied. Scans of normal volunteers were obtained using a 3.5 kilogauss (0.35 T) superconductive magnet and a 3.0 kilogauss (0.3 T) permanent magnet. The NMR images were compared with images obtained by CT and with anatomical sections of these regions. Although resolution is not comparable to that seen on scans obtained with modern CT equipment, there are some advantages to NMR imaging. These include availability of multiple projections, ease of identifying blood vessels and differentiating them from lymph nodes, and the possibility of improved tissue specificity.

  13. NMR in rotating magnetic fields: Magic angle field spinning

    SciTech Connect

    Sakellariou, D.; Meriles, C.; Martin, R.; Pines, A.

    2004-09-10

    Magic angle sample spinning has been one of the cornerstones in high-resolution solid state NMR. Spinning frequencies nowadays have increased by at least one order of magnitude over the ones used in the first experiments and the technique has gained tremendous popularity. It is currently a routine procedure in solid-state NMR, high-resolution liquid-state NMR and solid-state MRI. The technique enhances the spectral resolution by averaging away rank 2 anisotropic spin interactions thereby producing isotropic-like spectra with resolved chemical shifts and scalar couplings. Andrew proposed that it should be possible to induce similar effects in a static sample if the direction of the magnetic field is varied, e.g., magic-angle rotation of the B0 field (B0-MAS) and this has been recently demonstrated using electromagnetic field rotation. Here we discuss on the possibilities to perform field rotation using alternative hardware, together with spectroscopic methods to recover isotropic resolution even in cases where the field is not rotating at the magic angle. Extension to higher magnetic fields would be beneficial in situations where the physical manipulation of the sample is inconvenient or impossible. Such situations occur often in materials or biomedical samples where ''ex-situ'' NMR spectroscopy and imaging analysis is needed.

  14. NMR of thin layers using a meanderline surface coil

    DOEpatents

    Cowgill, Donald F.

    2001-01-01

    A miniature meanderline sensor coil which extends the capabilities of nuclear magnetic resonance (NMR) to provide analysis of thin planar samples and surface layer geometries. The sensor coil allows standard NMR techniques to be used to examine thin planar (or curved) layers, extending NMRs utility to many problems of modern interest. This technique can be used to examine contact layers, non-destructively depth profile into films, or image multiple layers in a 3-dimensional sense. It lends itself to high resolution NMR techniques of magic angle spinning and thus can be used to examine the bonding and electronic structure in layered materials or to observe the chemistry associated with aging coatings. Coupling this sensor coil technology with an arrangement of small magnets will produce a penetrator probe for remote in-situ chemical analysis of groundwater or contaminant sediments. Alternatively, the sensor coil can be further miniaturized to provide sub-micron depth resolution within thin films or to orthoscopically examine living tissue. This thin-layer NMR technique using a stationary meanderline coil in a series-resonant circuit has been demonstrated and it has been determined that the flat meanderline geometry has about he same detection sensitivity as a solenoidal coil, but is specifically tailored to examine planar material layers, while avoiding signals from the bulk.

  15. Optimal control in NMR spectroscopy: numerical implementation in SIMPSON.

    PubMed

    Tosner, Zdenek; Vosegaard, Thomas; Kehlet, Cindie; Khaneja, Navin; Glaser, Steffen J; Nielsen, Niels Chr

    2009-04-01

    We present the implementation of optimal control into the open source simulation package SIMPSON for development and optimization of nuclear magnetic resonance experiments for a wide range of applications, including liquid- and solid-state NMR, magnetic resonance imaging, quantum computation, and combinations between NMR and other spectroscopies. Optimal control enables efficient optimization of NMR experiments in terms of amplitudes, phases, offsets etc. for hundreds-to-thousands of pulses to fully exploit the experimentally available high degree of freedom in pulse sequences to combat variations/limitations in experimental or spin system parameters or design experiments with specific properties typically not covered as easily by standard design procedures. This facilitates straightforward optimization of experiments under consideration of rf and static field inhomogeneities, limitations in available or desired rf field strengths (e.g., for reduction of sample heating), spread in resonance offsets or coupling parameters, variations in spin systems etc. to meet the actual experimental conditions as close as possible. The paper provides a brief account on the relevant theory and in particular the computational interface relevant for optimization of state-to-state transfer (on the density operator level) and the effective Hamiltonian on the level of propagators along with several representative examples within liquid- and solid-state NMR spectroscopy.

  16. Amplification of Xenon NMR and MRI by remote detection

    SciTech Connect

    Moule, Adam J.; Spence, Megan M.; Han, Song-I.; Seeley, JulietteA.; Pierce, Kimberly L.; Saxena, Sunil; Pines, Alexander

    2003-03-31

    A novel technique is proposed in which a nuclear magneticresonance (NMR) spectrum or magnetic resonance image (MRI) is encoded andstored as spin polarization and is then moved to a different physicallocation to be detected. Remote detection allows the separateoptimization of the encoding and detection steps, permitting theindependent choice of experimental conditions, and excitation anddetection methodologies. In the first experimental demonstration of thistechnique, we show that NMR signal can be amplified by taking diluted129Xe from a porous sample placed inside a large encoding coil, andconcentrating it into a smaller detection coil. In general, the study ofNMR active molecules at low concentration that have low physical fillingfactor is facilitated by remote detection. In the second experiment, MRIinformation encoded in a very low field magnet (4-7mT) is transferred toa high field magnet (4.2 T) in order to be detected under optimizedconditions. Furthermore, remote detection allows the utilization ofultra-sensitive optical or superconducting detection techniques, whichbroadens the horizon of NMR experimentation.

  17. Quantitative Sodium MR Imaging at 7 T: Initial Results and Comparison with Diffusion-weighted Imaging in Patients with Breast Tumors.

    PubMed

    Zaric, Olgica; Pinker, Katja; Zbyn, Stefan; Strasser, Bernhard; Robinson, Simon; Minarikova, Lenka; Gruber, Stephan; Farr, Alex; Singer, Christian; Helbich, Thomas H; Trattnig, Siegfried; Bogner, Wolfgang

    2016-07-01

    Purpose To investigate the clinical feasibility of a quantitative sodium 23 ((23)Na) magnetic resonance (MR) imaging protocol developed for breast tumor assessment and to compare it with 7-T diffusion-weighted imaging (DWI). Materials and Methods Written informed consent in this institutional review board-approved study was obtained from eight healthy volunteers and 17 patients with 20 breast tumors (five benign, 15 malignant). To achieve the best image quality and reproducibility, the (23)Na sequence was optimized and tested on phantoms and healthy volunteers. For in vivo quantification of absolute tissue sodium concentration (TSC), an external phantom was used. Static magnetic field, or B0, and combined transmit and receive radiofrequency field, or B1, maps were acquired, and image quality, measurement reproducibility, and accuracy testing were performed. Bilateral (23)Na and DWI sequences were performed before contrast material-enhanced MR imaging in patients with breast tumors. TSC and apparent diffusion coefficient (ADC) were calculated and correlated for healthy glandular tissue and benign and malignant lesions. Results The (23)Na MR imaging protocol is feasible, with 1.5-mm in-plane resolution and 16-minute imaging time. Good image quality was achieved, with high reproducibility (mean TSC values ± standard deviation for the test, 36 mmol per kilogram of wet weight ± 2 [range, 34-37 mmol/kg]; for the retest, 37 mmol/kg ± 1 [range, 35-39 mmol/kg]; P = .610) and accuracy (r = 0.998, P < .001). TSC values in normal glandular and adipose breast tissue were 35 mmol/kg ± 3 and 18 mmol/kg ± 3, respectively. In malignant lesions (mean size, 31 mm ± 24; range, 6-92 mm), the TSC of 69 mmol/kg ± 10 was, on average, 49% higher than that in benign lesions (mean size, 14 mm ± 12; range, 6-35 mm), with a TSC of 47 mmol/kg ± 8 (P = .002). There were similar ADC differences between benign ([1.78 ± 0.23] × 10(-3) mm(2)/sec) and malignant ([1.03 ± 0.23] × 10(-3) mm

  18. Hyperpolarized 131Xe NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Stupic, Karl F.; Cleveland, Zackary I.; Pavlovskaya, Galina E.; Meersmann, Thomas

    2011-01-01

    Hyperpolarized (hp) 131Xe with up to 2.2% spin polarization (i.e., 5000-fold signal enhancement at 9.4 T) was obtained after separation from the rubidium vapor of the spin-exchange optical pumping (SEOP) process. The SEOP was applied for several minutes in a stopped-flow mode, and the fast, quadrupolar-driven T1 relaxation of this spin I = 3/2 noble gas isotope required a rapid subsequent rubidium removal and swift transfer into the high magnetic field region for NMR detection. Because of the xenon density dependent 131Xe quadrupolar relaxation in the gas phase, the SEOP polarization build-up exhibits an even more pronounced dependence on xenon partial pressure than that observed in 129Xe SEOP. 131Xe is the only stable noble gas isotope with a positive gyromagnetic ratio and shows therefore a different relative phase between hp signal and thermal signal compared to all other noble gases. The gas phase 131Xe NMR spectrum displays a surface and magnetic field dependent quadrupolar splitting that was found to have additional gas pressure and gas composition dependence. The splitting was reduced by the presence of water vapor that presumably influences xenon-surface interactions. The hp 131Xe spectrum shows differential line broadening, suggesting the presence of strong adsorption sites. Beyond hp 131Xe NMR spectroscopy studies, a general equation for the high temperature, thermal spin polarization, P, for spin I⩾1/2 nuclei is presented.

  19. Hyperpolarized 131Xe NMR spectroscopy

    PubMed Central

    Stupic, Karl F.; Cleveland, Zackary I.; Pavlovskaya, Galina E.; Meersmann, Thomas

    2011-01-01

    Hyperpolarized (hp) 131Xe with up to 2.2% spin polarization (i.e., 5000-fold signal enhancement at 9.4 T) was obtained after separation from the rubidium vapor of the spin-exchange optical pumping (SEOP) process. The SEOP was applied for several minutes in a stopped-flow mode, and the fast, quadrupolar-driven T1 relaxation of this spin I = 3/2 noble gas isotope required a rapid subsequent rubidium removal and swift transfer into the high magnetic field region for NMR detection. Because of the xenon density dependent 131Xe quadrupolar relaxation in the gas phase, the SEOP polarization build-up exhibits an even more pronounced dependence on xenon partial pressure than that observed in 129Xe SEOP. 131Xe is the only stable noble gas isotope with a positive gyromagnetic ratio and shows therefore a different relative phase between hp signal and thermal signal compared to all other noble gases. The gas phase 131Xe NMR spectrum displays a surface and magnetic field dependent quadrupolar splitting that was found to have additional gas pressure and gas composition dependence. The splitting was reduced by the presence of water vapor that presumably influences xenon-surface interactions. The hp 131Xe spectrum shows differential line broadening, suggesting the presence of strong adsorption sites. Beyond hp 131Xe NMR spectroscopy studies, a general equation for the high temperature, thermal spin polarization, P, for spin I⩾1/2 nuclei is presented. PMID:21051249

  20. Microcoil NMR spectroscopy: a novel tool for biological high throughput NMR spectroscopy.

    PubMed

    Hopson, Russell E; Peti, Wolfgang

    2008-01-01

    Microcoil NMR spectroscopy is based on the increase of coil sensitivity for smaller coil diameters (approximately 1/d). Microcoil NMR probes deliver a remarkable mass-based sensitivity increase (8- to 12-fold) when compared with commonly used 5-mm NMR probes. Although microcoil NMR probes are a well established analytical tool for small molecule liquid-state NMR spectroscopy, after spectroscopy only recently have microcoil NMR probes become available for biomolecular NMR spectroscopy. This chapter highlights differences between commercially available microcoil NMR probes suitable for biomolecular NMR spectroscopy. Furthermore, it provides practical guidance for the use of microcoil probes and shows direct applications for structural biology and structural genomics, such as optimal target screening and structure determination, among others.

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

    PubMed

    Odedra, Smita; Wimperis, Stephen

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

  2. Stray-field magnetic resonance imaging of solid materials.

    PubMed

    Iwamiya, J H; Sinton, S W

    1996-07-01

    NMR imaging has experienced a tremendous increase in its use in a diverse range of investigations, particularly in the field of medical diagnostics. With regard to NMR imaging of solid materials, a number of challenges must be overcome before solid-state NMR imaging can experience widespread use. To date, a variety of strategies has been proposed for obtaining solid-state NMR images. In this paper, we will review the literature dealing with a specific solid-state NMR imaging method, stray-field imaging. We will describe our implementation of a two-dimensional version of the stray-field imaging method on a commercial instrument capable of collecting wideline NMR data and the use of this method in the examination of solid materials of interest in the aerospace industry.

  3. Scalable NMR spectroscopy with semiconductor chips

    PubMed Central

    Ha, Dongwan; Paulsen, Jeffrey; Sun, Nan; Song, Yi-Qiao; Ham, Donhee

    2014-01-01

    State-of-the-art NMR spectrometers using superconducting magnets have enabled, with their ultrafine spectral resolution, the determination of the structure of large molecules such as proteins, which is one of the most profound applications of modern NMR spectroscopy. Many chemical and biotechnological applications, however, involve only small-to-medium size molecules, for which the ultrafine resolution of the bulky, expensive, and high-maintenance NMR spectrometers is not required. For these applications, there is a critical need for portable, affordable, and low-maintenance NMR spectrometers to enable in-field, on-demand, or online applications (e.g., quality control, chemical reaction monitoring) and co-use of NMR with other analytical methods (e.g., chromatography, electrophoresis). As a critical step toward NMR spectrometer miniaturization, small permanent magnets with high field homogeneity have been developed. In contrast, NMR spectrometer electronics capable of modern multidimensional spectroscopy have thus far remained bulky. Complementing the magnet miniaturization, here we integrate the NMR spectrometer electronics into 4-mm2 silicon chips. Furthermore, we perform various multidimensional NMR spectroscopies by operating these spectrometer electronics chips together with a compact permanent magnet. This combination of the spectrometer-electronics-on-a-chip with a permanent magnet represents a useful step toward miniaturization of the overall NMR spectrometer into a portable platform. PMID:25092330

  4. Solid-state NMR of inorganic semiconductors.

    PubMed

    Yesinowski, James P

    2012-01-01

    Studies of inorganic semiconductors by solid-state NMR vary widely in terms of the nature of the samples investigated, the techniques employed to observe the NMR signal, and the types of information obtained. Compared with the NMR of diamagnetic non-semiconducting substances, important differences often result from the presence of electron or hole carriers that are the hallmark of semiconductors, and whose theoretical interpretation can be involved. This review aims to provide a broad perspective on the topic for the non-expert by providing: (1) a basic introduction to semiconductor physical concepts relevant to NMR, including common crystal structures and the various methods of making samples; (2) discussions of the NMR spin Hamiltonian, details of some of the NMR techniques and strategies used to make measurements and theoretically predict NMR parameters, and examples of how each of the terms in the Hamiltonian has provided useful information in bulk semiconductors; (3) a discussion of the additional considerations needed to interpret the NMR of nanoscale semiconductors, with selected examples. The area of semiconductor NMR is being revitalized by this interest in nanoscale semiconductors, the great improvements in NMR detection sensitivity and resolution that have occurred, and the current interest in optical pumping and spintronics-related studies. Promising directions for future research will be noted throughout.

  5. Image

    SciTech Connect

    Marsh, Amber; Harsch, Tim; Pitt, Julie; Firpo, Mike; Lekin, April; Pardes, Elizabeth

    2007-08-31

    The computer side of the IMAGE project consists of a collection of Perl scripts that perform a variety of tasks; scripts are available to insert, update and delete data from the underlying Oracle database, download data from NCBI's Genbank and other sources, and generate data files for download by interested parties. Web scripts make up the tracking interface, and various tools available on the project web-site (image.llnl.gov) that provide a search interface to the database.

  6. NMR instrumentation and hardware available at present and in the future.

    PubMed

    McFarland, E W; Rosen, B R

    1986-01-01

    Advances in magnetic resonance hardware and instrumentation have facilitated the rapid development of NMR imaging. Systems based on superconducting, resistive, and permanent magnets have been commercially introduced and are now available in a wide range of field strengths. Excellent images are now routinely obtained in fields from 0.1 to 2.0 Tesla (T). It is now clear, however, that obtaining high-quality images requires much more than a high-strength magnet. Improved radiofrequency transmission and receiving subsystems and new special-purpose coils have been essential for high-sensitivity imaging. User interfaces and computational hardware have borrowed from x-ray CT rapid signal processing and image display capabilities. Developments in systems technology are making possible improved image quality and information content together with increased speed. Presented here is a discussion of the basic function and interconnections of the key elements of a complete NMR imaging system.

  7. PFG NMR and Bayesian analysis to characterise non-Newtonian fluids

    NASA Astrophysics Data System (ADS)

    Blythe, Thomas W.; Sederman, Andrew J.; Stitt, E. Hugh; York, Andrew P. E.; Gladden, Lynn F.

    2017-01-01

    Many industrial flow processes are sensitive to changes in the rheological behaviour of process fluids, and there therefore exists a need for methods that provide online, or inline, rheological characterisation necessary for process control and optimisation over timescales of minutes or less. Nuclear magnetic resonance (NMR) offers a non-invasive technique for this application, without limitation on optical opacity. We present a Bayesian analysis approach using pulsed field gradient (PFG) NMR to enable estimation of the rheological parameters of Herschel-Bulkley fluids in a pipe flow geometry, characterised by a flow behaviour index n , yield stress τ0 , and consistency factor k , by analysis of the signal in q -space. This approach eliminates the need for velocity image acquisition and expensive gradient hardware. We investigate the robustness of the proposed Bayesian NMR approach to noisy data and reduced sampling using simulated NMR data and show that even with a signal-to-noise ratio (SNR) of 100, only 16 points are required to be sampled to provide rheological parameters accurate to within 2% of the ground truth. Experimental validation is provided through an experimental case study on Carbopol 940 solutions (model Herschel-Bulkley fluids) using PFG NMR at a 1H resonance frequency of 85.2 MHz; for SNR > 1000, only 8 points are required to be sampled. This corresponds to a total acquisition time of <60 s and represents an 88% reduction in acquisition time when compared to MR flow imaging. Comparison of the shear stress-shear rate relationship, quantified using Bayesian NMR, with non-Bayesian NMR methods demonstrates that the Bayesian NMR approach is in agreement with MR flow imaging to within the accuracy of the measurement. Furthermore, as we increase the concentration of Carbopol 940 we observe a change in rheological characteristics, probably due to shear history-dependent behaviour and the different geometries used. This behaviour highlights the need for

  8. Combined MAS NMR and X-ray powder diffraction structural characterization of hydrofluorocarbon-134 adsorbed on zeolite NaY: Observation of cation migration and strong sorbate-cation interactions

    SciTech Connect

    Grey, C.P.; Poshni, F.I.; Gualtieri, A.F.; Norby, P. |; Hanson, J.C.; Corbin, D.R.

    1997-02-26

    {sup 23}Na MAS NMR and synchrotron X-ray powder diffraction methods have been used to study the binding of hydrofluorocarbon-134 (HFC-134, CF{sub 2}HCF{sub 2}H) in zeolite NaY. A contraction of the volume of the unit cell is observed on gas adsorption, and the interaction of HFC-134 with the extraframework sodium cations is so strong that extraframework sodium cations in the sodalite cages (site I`) migrate into the supercages. These sodium cations are found on positions close to the site III` positions of zeolite NaX. Both ends of the HFC molecules are bound sodium cations, the HFC molecule bridging the site II and III` cations in the supercages. The strong cation-HFC interaction results in a considerable displacement of the sodium site II cation along the [111] direction into the supercage and an increase in the T-O-T bond angle for the three oxygen atoms coordinated to this cation. A decrease in the {sup 23}Na quadrupole coupling constant on HFC adsorption from 4.4 to less than 2.8 MHz, for the sodium cations originally located in the sodalite cages (site I`), is consistent with the sodium cation migrations. 26 refs., 7 figs., 5 tabs.

  9. Hyperpolarized xenon NMR and MRI signal amplification by gas extraction

    PubMed Central

    Zhou, Xin; Graziani, Dominic; Pines, Alexander

    2009-01-01

    A method is reported for enhancing the sensitivity of NMR of dissolved xenon by detecting the signal after extraction to the gas phase. We demonstrate hyperpolarized xenon signal amplification by gas extraction (Hyper-SAGE) in both NMR spectra and magnetic resonance images with time-of-flight information. Hyper-SAGE takes advantage of a change in physical phase to increase the density of polarized gas in the detection coil. At equilibrium, the concentration of gas-phase xenon is ≈10 times higher than that of the dissolved-phase gas. After extraction the xenon density can be further increased by several orders of magnitude by compression and/or liquefaction. Additionally, being a remote detection technique, the Hyper-SAGE effect is further enhanced in situations where the sample of interest would occupy only a small proportion of the traditional NMR receiver. Coupled with targeted xenon biosensors, Hyper-SAGE offers another path to highly sensitive molecular imaging of specific cell markers by detection of exhaled xenon gas. PMID:19805177

  10. Development of LC-13C NMR

    NASA Technical Reports Server (NTRS)

    Dorn, H. C.; Wang, J. S.; Glass, T. E.

    1986-01-01

    This study involves the development of C-13 nuclear resonance as an on-line detector for liquid chromatography (LC-C-13 NMR) for the chemical characterization of aviation fuels. The initial focus of this study was the development of a high sensitivity flow C-13 NMR probe. Since C-13 NMR sensitivity is of paramount concern, considerable effort during the first year was directed at new NMR probe designs. In particular, various toroid coil designs were examined. In addition, corresponding shim coils for correcting the main magnetic field (B sub 0) homogeneity were examined. Based on these initial probe design studies, an LC-C-13 NMR probe was built and flow C-13 NMR data was obtained for a limited number of samples.

  11. Portable, Low-cost NMR with Laser-Lathe Lithography Produced

    SciTech Connect

    Herberg, J L; Demas, V; Malba, V; Bernhardt, A; Evans, L; Harvey, C; Chinn, S; Maxwell, R; Reimer, J; Pines, A

    2006-12-21

    Nuclear Magnetic Resonance (NMR) is unsurpassed in its ability to non-destructively probe chemical identity. Portable, low-cost NMR sensors would enable on-site identification of potentially hazardous substances, as well as the study of samples in a variety of industrial applications. Recent developments in RF microcoil construction (i.e. coils much smaller than the standard 5 mm NMR RF coils), have dramatically increased NMR sensitivity and decreased the limits-of-detection (LOD). We are using advances in laser pantographic microfabrication techniques, unique to LLNL, to produce RF microcoils for field deployable, high sensitivity NMR-based detectors. This same fabrication technique can be used to produce imaging coils for MRI as well as for standard hardware shimming or 'ex-situ' shimming of field inhomogeneities typically associated with inexpensive magnets. This paper describes a portable NMR system based on a laser-fabricated microcoil and homebuilt probe design. For testing this probe, we used a hand-held 2 kg Halbach magnet that can fit into the palm of a hand, and an RF probe with laser-fabricated microcoils. The focus of the paper is on the evaluation of the microcoils, RF probe, and first generation gradient coils. The setup of this system, initial results, sensitivity measurements, and future plans are discussed. The results, even though preliminary, are promising and provide the foundation for developing a portable, inexpensive NMR system for chemical analysis. Such a system will be ideal for chemical identification of trace substances on site.

  12. Observation of NMR noise from solid samples

    PubMed Central

    Schlagnitweit, Judith; Dumez, Jean-Nicolas; Nausner, Martin; Jerschow, Alexej; Elena-Herrmann, Bénédicte; Müller, Norbert

    2010-01-01

    We demonstrate that proton NMR noise signals, i.e. NMR spectra without excitation by radio frequency, can be obtained from solid samples. Experimental results are shown for static and magic-angle spinning conditions. In addition, a tuning procedure based on the probes’ NMR noise characteristics and similar to the one described previously for liquids probes can also be used to optimize signal-to-noise ratios in 1H-MAS experiments. PMID:20850362

  13. Solid-state NMR spectroscopy of proteins.

    PubMed

    Müller, Henrik; Etzkorn, Manuel; Heise, Henrike

    2013-01-01

    Solid-state NMR spectroscopy proved to be a versatile tool for characterization of structure and dynamics of complex biochemical systems. In particular, magic angle spinning (MAS) solid-state NMR came to maturity for application towards structural elucidation of biological macromolecules. Current challenges in applying solid-state NMR as well as progress achieved recently will be discussed in the following chapter focusing on conceptual aspects important for structural elucidation of proteins.

  14. NMR (nuclear magnetic resonance) imaging for detecting binder/plasticizers in green-state structural ceramics. [SiC, Al/sub 2/O/sub 3/, and Si/sub 3/N/sub 4/

    SciTech Connect

    Ellingson, W.A.; Ackerman, J.L.; Gronemeyer, S.; Garrido, L.

    1987-06-01

    We have explored both a small-bore (<10 cm) experimental imaging system as well as a state-of-the-art medical imaging system relative to detection of the soft-solid (wax-like) binders used in ceramics. The ability to detect binders was evaluated on a 1.5-T medical MRI imager (Siemens Magnetom) using T/sub 1/-weighted imaging techniques and a 10-cm eye coil standard with the system. The ability to detect binders was also studied with a modified small-bore coil Technicare Facility using special rf and gradient coils. The initial results show that a medical system may not be able to detect binders unless elevated temperatures are used, whereas the experimental small-bore system shows the distribution quite well. In addition, higher magnetic field strength should be better for ceramics, since proton signal strength increases rapidly with the magnetic field strength. 11 refs., 9 figs., 3 tabs.

  15. [Imaging].

    PubMed

    Chevrot, A; Drapé, J L; Godefroy, D; Dupont, A M; Pessis, E; Sarazin, L; Minoui, A

    1997-01-01

    The panoply of imaging techniques useful in podology is essentially limited to X-rays. Standard "standing" and "lying" X-rays furnish most of the required information. Arthrography is sometimes performed, in particular for trauma or tumour of the ankle. CT scan and MRI make a decisive contribution in difficult cases, notably in fractures and in small fractures without displacement. The two latter techniques are useful in tendon, ligament and muscular disorders, where echography is also informative. Rigorous analysis of radiographies and a good knowledge of foot disorders make these imaging techniques efficacious.

  16. Solid-state NMR and Membrane Proteins

    PubMed Central

    Opella, Stanley J.

    2015-01-01

    The native environment for a membrane protein is a phospholipid bilayer. Because the protein is immobilized on NMR timescales by the interactions within a bilayer membrane, solid-state NMR methods are essential to obtain high-resolution spectra. Approaches have been developed for both unoriented and oriented samples, however, they all rest on the foundation of the most fundamental aspects solid-state NMR, and the chemical shift and homo- and hetero-nuclear dipole-dipole interactions. Solid-state NMR has advanced sufficiently to enable the structures of membrane proteins to be determined under near-native conditions in phospholipid bilayers. PMID:25681966

  17. Solid-state NMR and membrane proteins

    NASA Astrophysics Data System (ADS)

    Opella, Stanley J.

    2015-04-01

    The native environment for a membrane protein is a phospholipid bilayer. Because the protein is immobilized on NMR timescales by the interactions within a bilayer membrane, solid-state NMR methods are essential to obtain high-resolution spectra. Approaches have been developed for both unoriented and oriented samples, however, they all rest on the foundation of the most fundamental aspects of solid-state NMR, and the chemical shift and homo- and hetero-nuclear dipole-dipole interactions. Solid-state NMR has advanced sufficiently to enable the structures of membrane proteins to be determined under near-native conditions in phospholipid bilayers.

  18. Quantitative 2D liquid-state NMR.

    PubMed

    Giraudeau, Patrick

    2014-06-01

    Two-dimensional (2D) liquid-state NMR has a very high potential to simultaneously determine the absolute concentration of small molecules in complex mixtures, thanks to its capacity to separate overlapping resonances. However, it suffers from two main drawbacks that probably explain its relatively late development. First, the 2D NMR signal is strongly molecule-dependent and site-dependent; second, the long duration of 2D NMR experiments prevents its general use for high-throughput quantitative applications and affects its quantitative performance. Fortunately, the last 10 years has witnessed an increasing number of contributions where quantitative approaches based on 2D NMR were developed and applied to solve real analytical issues. This review aims at presenting these recent efforts to reach a high trueness and precision in quantitative measurements by 2D NMR. After highlighting the interest of 2D NMR for quantitative analysis, the different strategies to determine the absolute concentrations from 2D NMR spectra are described and illustrated by recent applications. The last part of the manuscript concerns the recent development of fast quantitative 2D NMR approaches, aiming at reducing the experiment duration while preserving - or even increasing - the analytical performance. We hope that this comprehensive review will help readers to apprehend the current landscape of quantitative 2D NMR, as well as the perspectives that may arise from it.

  19. NMR studies of isotopically labeled RNA

    SciTech Connect

    Pardi, A.

    1994-12-01

    In summary, the ability to generate NMR quantities of {sup 15}N and {sup 13}C-labeled RNAs has led to the development of heteronuclear multi-dimensional NMR techniques for simplifying the resonance assignment and structure determination of RNAs. These methods for synthesizing isotopically labeled RNAs are only several years old, and thus there are still relatively few applications of heteronuclear multi-dimensional NMR techniques to RNA. However, given the critical role that RNAs play in cellular function, one can expect to see an increasing number of NMR structural studies of biologically active RNAs.

  20. Inverse problem for in vivo NMR spatial localization

    SciTech Connect

    Hasenfeld, A.C.

    1985-11-01

    The basic physical problem of NMR spatial localization is considered. To study diseased sites, one must solve the problem of adequately localizing the NMR signal. We formulate this as an inverse problem. As the NMR Bloch equations determine the motion of nuclear spins in applied magnetic fields, a theoretical study is undertaken to answer the question of how to design magnetic field configurations to achieve these localized excited spin populations. Because of physical constraints in the production of the relevant radiofrequency fields, the problem factors into a temporal one and a spatial one. We formulate the temporal problem as a nonlinear transformation, called the Bloch Transform, from the rf input to the magnetization response. In trying to invert this transformation, both linear (for the Fourier Transform) and nonlinear (for the Bloch Transform) modes of radiofrequency excitation are constructed. The spatial problem is essentially a statics problem for the Maxwell equations of electromagnetism, as the wavelengths of the radiation considered are on the order of ten meters, and so propagation effects are negligible. In the general case, analytic solutions are unavailable, and so the methods of computer simulation are used to map the rf field spatial profiles. Numerical experiments are also performed to verify the theoretical analysis, and experimental confirmation of the theory is carried out on the 0.5 Tesla IBM/Oxford Imaging Spectrometer at the LBL NMR Medical Imaging Facility. While no explicit inverse is constructed to ''solve'' this problem, the combined theoretical/numerical analysis is validated experimentally, justifying the approximations made. 56 refs., 31 figs.

  1. Images.

    ERIC Educational Resources Information Center

    Barr, Catherine, Ed.

    1997-01-01

    The theme of this month's issue is "Images"--from early paintings and statuary to computer-generated design. Resources on the theme include Web sites, CD-ROMs and software, videos, books, and others. A page of reproducible activities is also provided. Features include photojournalism, inspirational Web sites, art history, pop art, and myths. (AEF)

  2. Fractional motion model for characterization of anomalous diffusion from NMR signals.

    PubMed

    Fan, Yang; Gao, Jia-Hong

    2015-07-01

    Measuring molecular diffusion has been used to characterize the properties of living organisms and porous materials. NMR is able to detect the diffusion process in vivo and noninvasively. The fractional motion (FM) model is appropriate to describe anomalous diffusion phenomenon in crowded environments, such as living cells. However, no FM-based NMR theory has yet been established. Here, we present a general formulation of the FM-based NMR signal under the influence of arbitrary magnetic field gradient waveforms. An explicit analytic solution of the stretched exponential decay format for NMR signals with finite-width Stejskal-Tanner bipolar pulse magnetic field gradients is presented. Signals from a numerical simulation matched well with the theoretical prediction. In vivo diffusion-weighted brain images were acquired and analyzed using the proposed theory, and the resulting parametric maps exhibit remarkable contrasts between different brain tissues.

  3. Fractional motion model for characterization of anomalous diffusion from NMR signals

    NASA Astrophysics Data System (ADS)

    Fan, Yang; Gao, Jia-Hong

    2015-07-01

    Measuring molecular diffusion has been used to characterize the properties of living organisms and porous materials. NMR is able to detect the diffusion process in vivo and noninvasively. The fractional motion (FM) model is appropriate to describe anomalous diffusion phenomenon in crowded environments, such as living cells. However, no FM-based NMR theory has yet been established. Here, we present a general formulation of the FM-based NMR signal under the influence of arbitrary magnetic field gradient waveforms. An explicit analytic solution of the stretched exponential decay format for NMR signals with finite-width Stejskal-Tanner bipolar pulse magnetic field gradients is presented. Signals from a numerical simulation matched well with the theoretical prediction. In vivo diffusion-weighted brain images were acquired and analyzed using the proposed theory, and the resulting parametric maps exhibit remarkable contrasts between different brain tissues.

  4. Investigation of Ti-doped NaAlH4 by solid-state NMR

    SciTech Connect

    Maxwell, R; Majzoub, E; Herberg, J

    2003-11-24

    In recent years, the development of Ti-doped NaAlH{sub 4} as a hydrogen storage material has gained attention because of its large weight percentage of hydrogen ({approx}5%) compared to traditional interstitial hydrides. The addition of transition-metal dopants, in the form of Ti-halides, such as TiCl{sub 3}, dramatically improves the kinetics of the absorption and desorption of hydrogen from NaAlH{sub 4}. However, the role that Ti plays in enhancing the absorption and desorption of H{sub 2} is still unknown. In the present study, {sup 27}Al, {sup 23}Na, and {sup 1}H MAS (Magic Angle Spinning) NMR (Nuclear Magnetic Resonance) has been performed to understand the titanium speciation in Ti-doped NaAlH{sub 4}. All experiments were performed on a sample of crushed single crystals exposed to Ti during growth, a sample of solvent-mixed 4TiCl{sub 3} + 112NaAlH{sub 4}, a reacted sample of solvent-mixed TiCl{sub 3} + {sup 3}NaAlH{sub 4} with THF, and a reacted sample of ball-milled TiCl3 + 3NaAlH{sub 4}. The {sup 27}Al MAS NMR has shown differences in compound formation between solvent-mixed TiCl{sub 3} + 3NaAlH{sub 4} with THF and the mechanically ball-milled TiCl{sub 3} + 3NaAlH{sub 4}. {sup 27}Al MAS NMR of the mechanically ball-milled mixture of fully-reacted TiCl{sub 3} + 3NaAlH{sub 4} showed spectral signatures of TiAl{sub 3} while, the solvent-mixed 4TiCl{sub 3} + 112NaAlH{sub 4}, which is totally reacted, does not show the presences of TiAl{sub 3}, but shows the existence of Al{sub 2}O{sub 3}.

  5. Analytical Applications of NMR: Summer Symposium on Analytical Chemistry.

    ERIC Educational Resources Information Center

    Borman, Stuart A.

    1982-01-01

    Highlights a symposium on analytical applications of nuclear magnetic resonance spectroscopy (NMR), discussing pulse Fourier transformation technique, two-dimensional NMR, solid state NMR, and multinuclear NMR. Includes description of ORACLE, an NMR data processing system at Syracuse University using real-time color graphics, and algorithms for…

  6. Analytical Applications of NMR: Summer Symposium on Analytical Chemistry.

    ERIC Educational Resources Information Center

    Borman, Stuart A.

    1982-01-01

    Highlights a symposium on analytical applications of nuclear magnetic resonance spectroscopy (NMR), discussing pulse Fourier transformation technique, two-dimensional NMR, solid state NMR, and multinuclear NMR. Includes description of ORACLE, an NMR data processing system at Syracuse University using real-time color graphics, and algorithms for…

  7. Access to NMR Spectroscopy for Two-Year College Students: The NMR Site at Trinity University

    ERIC Educational Resources Information Center

    Mills, Nancy S.; Shanklin, Michael

    2011-01-01

    Students at two-year colleges and small four-year colleges have often obtained their exposure to NMR spectroscopy through "canned" spectra because the cost of an NMR spectrometer, particularly a high-field spectrometer, is prohibitive in these environments. This article describes the design of a NMR site at Trinity University in which…

  8. rNMR: open source software for identifying and quantifying metabolites in NMR spectra

    PubMed Central

    Lewis, Ian A; Schommer, Seth C; Markley, John L

    2009-01-01

    Despite the extensive use of nuclear magnetic resonance (NMR) for metabolomics, no publicly available tools have been designed for identifying and quantifying metabolites across multiple spectra. We introduce here a new open source software tool, rNMR, which provides a simple graphics-based method for visualizing, identifying, and quantifying metabolites across multiple one- or two-dimensional NMR spectra. rNMR differs from existing software tools for NMR spectroscopy in that analyses are based on regions of interest (ROIs) rather than peak lists. ROIs contain all of the underlying NMR data within user-defined chemical shift ranges. ROIs can be inspected visually, and they support robust quantification of NMR signals. ROI-based analyses support simultaneous views of metabolite signals from up to hundreds of spectra, and ROI boundaries can be adjusted dynamically to ensure that signals corresponding to assigned atoms are analyzed consistently throughout the dataset. We describe how rNMR greatly reduces the time required for robust bioanalytical analysis of complex NMR data. An rNMR analysis yields a compact and transparent way of archiving the results from a metabolomics study so that it can be examined and evaluated by others. The rNMR website at http://rnmr.nmrfam.wisc.edu offers downloadable versions of rNMR for Windows, Macintosh, and Linux platforms along with extensive help documentation, instructional videos, and sample data. Copyright © 2009 John Wiley & Sons, Ltd. PMID:19821464

  9. jsNMR: an embedded platform-independent NMR spectrum viewer.

    PubMed

    Vosegaard, Thomas

    2015-04-01

    jsNMR is a lightweight NMR spectrum viewer written in JavaScript/HyperText Markup Language (HTML), which provides a cross-platform spectrum visualizer that runs on all computer architectures including mobile devices. Experimental (and simulated) datasets are easily opened in jsNMR by (i) drag and drop on a jsNMR browser window, (ii) by preparing a jsNMR file from the jsNMR web site, or (iii) by mailing the raw data to the jsNMR web portal. jsNMR embeds the original data in the HTML file, so a jsNMR file is a self-transforming dataset that may be exported to various formats, e.g. comma-separated values. The main applications of jsNMR are to provide easy access to NMR data without the need for dedicated software installed and to provide the possibility to visualize NMR spectra on web sites. Copyright © 2015 John Wiley & Sons, Ltd.

  10. Access to NMR Spectroscopy for Two-Year College Students: The NMR Site at Trinity University

    ERIC Educational Resources Information Center

    Mills, Nancy S.; Shanklin, Michael

    2011-01-01

    Students at two-year colleges and small four-year colleges have often obtained their exposure to NMR spectroscopy through "canned" spectra because the cost of an NMR spectrometer, particularly a high-field spectrometer, is prohibitive in these environments. This article describes the design of a NMR site at Trinity University in which…

  11. NMR studies of oriented molecules

    SciTech Connect

    Sinton, S.W.

    1981-11-01

    Deuterium and proton magnetic resonance are used in experiments on a number of compounds which either form liquid crystal mesophases themselves or are dissolved in a liquid crystal solvent. Proton multiple quantum NMR is used to simplify complicated spectra. The theory of nonselective multiple quantum NMR is briefly reviewed. Benzene dissolved in a liquid crystal are used to demonstrate several outcomes of the theory. Experimental studies include proton and deuterium single quantum (..delta..M = +-1) and proton multiple quantum spectra of several molecules which contain the biphenyl moiety. 4-Cyano-4'-n-pentyl-d/sub 11/-biphenyl (5CB-d/sub 11/) is studied as a pure compound in the nematic phase. The obtained chain order parameters and dipolar couplings agree closely with previous results. Models for the effective symmetry of the biphenyl group in 5CB-d/sub 11/ are tested against the experimental spectra. The dihedral angle, defined by the planes containing the rings of the biphenyl group, is found to be 30 +- 2/sup 0/ for 5DB-d/sub 11/. Experiments are also described for 4,4'-d/sub 2/-biphenyl, 4,4' - dibromo-biphenyl, and unsubstituted biphenyl.

  12. An Integrated Laboratory Project in NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Hudson, Reggie L.; Pendley, Bradford D.

    1988-01-01

    Describes an advanced NMR project that can be done with a 60-MHz continuous-wave proton spectrometer. Points out the main purposes are to give students experience in second-order NMR analysis, the simplification of spectra by raising the frequency, and the effect of non-hydrogen nuclei on proton resonances. (MVL)

  13. An Inversion Recovery NMR Kinetics Experiment

    ERIC Educational Resources Information Center

    Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping

    2011-01-01

    A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this…

  14. NMR-Profiles of Protein Solutions

    PubMed Central

    Pedrini, Bill; Serrano, Pedro; Mohanty, Biswaranjan; Geralt, Michael; Wüthrich, Kurt

    2014-01-01

    NMR-Profiles are quantitative one-dimensional presentations of two-dimensional [15N,1H]-correlation spectra used to monitor the quality of protein solutions prior to and during NMR structure determinations and functional studies. In our current use in structural genomics projects, a NMR-Profile is recorded at the outset of a structure determination, using a uniformly 15N-labeled micro-scale sample of the protein. We thus assess the extent to which polypeptide backbone resonance assignments can be achieved with given NMR techniques, for example, conventional triple resonance experiments or APSY-NMR. With the availability of sequence-specific polypeptide backbone resonance assignments in the course of the structure determination, an “Assigned NMR-Profile” is generated, which visualizes the variation of the 15N–1H correlation cross peak intensities along the sequence and thus maps the sequence locations of polypeptide segments for which the NMR line shapes are affected by conformational exchange or other processes. The Assigned NMR-Profile provides a guiding reference during later stages of the structure determination, and is of special interest for monitoring the protein during functional studies, where dynamic features may be modulated during physiological functions. PMID:23839514

  15. An Integrated Laboratory Project in NMR Spectroscopy.

    ERIC Educational Resources Information Center

    Hudson, Reggie L.; Pendley, Bradford D.

    1988-01-01

    Describes an advanced NMR project that can be done with a 60-MHz continuous-wave proton spectrometer. Points out the main purposes are to give students experience in second-order NMR analysis, the simplification of spectra by raising the frequency, and the effect of non-hydrogen nuclei on proton resonances. (MVL)

  16. NMR Spectroscopy and Its Value: A Primer

    ERIC Educational Resources Information Center

    Veeraraghavan, Sudha

    2008-01-01

    Nuclear magnetic resonance (NMR) spectroscopy is widely used by chemists. Furthermore, the use of NMR spectroscopy to solve structures of macromolecules or to examine protein-ligand interactions is popular. Yet, few students entering graduate education in biological sciences have been introduced to this method or its utility. Over the last six…

  17. A Guided Inquiry Approach to NMR Spectroscopy

    NASA Astrophysics Data System (ADS)

    Parmentier, Laura E.; Lisensky, George C.; Spencer, Brock

    1998-04-01

    We present a novel way to introduce NMR spectroscopy into the general chemistry curriculum as part of a week-long aspirin project in our one-semester introductory course. Aspirin is synthesized by reacting salicylic acid and acetic anhydride. Purity is determined by titration and IR and NMR spectroscopy. Students compare IR and NMR spectra of their aspirin product to a series of reference spectra obtained by the class. Students are able to interpret the IR spectra of their aspirin using IR data from previous experiments. NMR is introduced by having students collect 1H NMR spectra of a series of reference compounds chosen to include some of the structural features of aspirin and compare spectra and structures of the reference compounds to develop a correlation chart for chemical shifts. This process is done in small groups using shared class data and is guided by a series of questions designed to relate the different kinds of hydrogen atoms to number and position of peaks in the NMR spectrum. Students then identify the peaks in the NMR spectrum of their aspirin product and relate percent purity by titration with spectral results and percent yield. This is an enjoyable project that combines the synthesis of a familiar material with a guided inquiry-based introduction to NMR spectroscopy.

  18. Using Cloud Storage for NMR Data Distribution

    ERIC Educational Resources Information Center

    Soulsby, David

    2012-01-01

    An approach using Google Groups as method for distributing student-acquired NMR data has been implemented. We describe how to configure NMR spectrometer software so that data is uploaded to a laboratory section specific Google Group, thereby removing bottlenecks associated with printing and processing at the spectrometer workstation. Outside of…

  19. Microslot NMR probe for metabolomics studies.

    PubMed

    Krojanski, Hans Georg; Lambert, Jörg; Gerikalan, Yilmaz; Suter, Dieter; Hergenröder, Roland

    2008-11-15

    A NMR microprobe based on microstrip technology suitable for investigations of volume-limited samples in the low nanoliter range was designed. NMR spectra of sample quantities in the 100 pmol range can be obtained with this probe in a few seconds. The planar geometry of the probe is easily adaptable to the size and geometry requirements of the samples.

  20. An Inversion Recovery NMR Kinetics Experiment

    ERIC Educational Resources Information Center

    Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping

    2011-01-01

    A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this…

  1. NMR Spectroscopy and Its Value: A Primer

    ERIC Educational Resources Information Center

    Veeraraghavan, Sudha

    2008-01-01

    Nuclear magnetic resonance (NMR) spectroscopy is widely used by chemists. Furthermore, the use of NMR spectroscopy to solve structures of macromolecules or to examine protein-ligand interactions is popular. Yet, few students entering graduate education in biological sciences have been introduced to this method or its utility. Over the last six…

  2. Using Cloud Storage for NMR Data Distribution

    ERIC Educational Resources Information Center

    Soulsby, David

    2012-01-01

    An approach using Google Groups as method for distributing student-acquired NMR data has been implemented. We describe how to configure NMR spectrometer software so that data is uploaded to a laboratory section specific Google Group, thereby removing bottlenecks associated with printing and processing at the spectrometer workstation. Outside of…

  3. NMR investigations of hydrogen in carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Schmid, M.; Goze-Bac, C.; Krämer, S.; Mehring, M.; Roth, S.; Bernier, P.

    2002-10-01

    We report proton nuclear magnetic resonance (1H-NMR) measurements on hydrogen loaded single walled carbon nanotubes. The carbon nanotubes were produced with different kinds of catalysts and hydrogen loaded under 23 bar hydrogen pressure. The hydrogen adsorption properties of the carbon nanotube materials were investigated by temperature dependent analysis of the 1H-NMR spectra.

  4. Challenges and perspectives in quantitative NMR.

    PubMed

    Giraudeau, Patrick

    2017-01-01

    This perspective article summarizes, from the author's point of view at the beginning of 2016, the major challenges and perspectives in the field of quantitative NMR. The key concepts in quantitative NMR are first summarized; then, the most recent evolutions in terms of resolution and sensitivity are discussed, as well as some potential future research directions in this field. A particular focus is made on methodologies capable of boosting the resolution and sensitivity of quantitative NMR, which could open application perspectives in fields where the sample complexity and the analyte concentrations are particularly challenging. These include multi-dimensional quantitative NMR and hyperpolarization techniques such as para-hydrogen-induced polarization or dynamic nuclear polarization. Because quantitative NMR cannot be dissociated from the key concepts of analytical chemistry, i.e. trueness and precision, the methodological developments are systematically described together with their level of analytical performance. Copyright © 2016 John Wiley & Sons, Ltd.

  5. Rapid sample injection for hyperpolarized NMR spectroscopy.

    PubMed

    Bowen, Sean; Hilty, Christian

    2010-06-14

    Due to its ability to enhance the signal of a single NMR scan by several orders of magnitude, solid-to-liquid state dynamic nuclear polarization (DNP) appears well suited for the analysis of minimal amounts of compounds, as well as for the study of rapid chemical reactions. A key requirement in enabling the application of DNP-NMR to typical small-molecule substances encountered in chemistry and biochemistry is the ability to obtain high-resolution spectra, while at the same time minimizing the loss of polarization due to spin relaxation between the separate steps of DNP polarization and NMR measurement. Here, we present data demonstrating the capability of measuring DNP enhanced NMR spectra of compounds with comparably short relaxation times, with only minimal line broadening attributable to the sample transfer process. We discuss the performance characteristics of a sample injection apparatus specifically designed to provide high-resolution DNP-NMR spectra of small molecule compounds.

  6. Unilateral NMR with a barrel magnet.

    PubMed

    Utsuzawa, Shin; Fukushima, Eiichi

    2017-09-01

    Unilateral NMR can examine samples without regard to sample size. It is also an easy path to mobile or portable NMR as well as inexpensive NMR. The objective of this work was to develop unilateral NMR with an improved performance in a sample region that was remote from the apparatus. This was accomplished with the creation of a saddle point where all second derivatives of the main component of the field were nulled. A ∼10cm diameter ∼5cm thick magnet combined with a gradiometer coil on the surface detected signals from a sensitive region that extended ∼2cm from the magnet. The relatively homogeneous field of these unilateral NMR devices allows the measurement of rapidly diffusing spins as well as the use of smaller RF amplifiers, which enhances system mobility. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. Robust, integrated computational control of NMR experiments to achieve optimal assignment by ADAPT-NMR.

    PubMed

    Bahrami, Arash; Tonelli, Marco; Sahu, Sarata C; Singarapu, Kiran K; Eghbalnia, Hamid R; Markley, John L

    2012-01-01

    ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) represents a groundbreaking prototype for automated protein structure determination by nuclear magnetic resonance (NMR) spectroscopy. With a [(13)C,(15)N]-labeled protein sample loaded into the NMR spectrometer, ADAPT-NMR delivers complete backbone resonance assignments and secondary structure in an optimal fashion without human intervention. ADAPT-NMR achieves this by implementing a strategy in which the goal of optimal assignment in each step determines the subsequent step by analyzing the current sum of available data. ADAPT-NMR is the first iterative and fully automated approach designed specifically for the optimal assignment of proteins with fast data collection as a byproduct of this goal. ADAPT-NMR evaluates the current spectral information, and uses a goal-directed objective function to select the optimal next data collection step(s) and then directs the NMR spectrometer to collect the selected data set. ADAPT-NMR extracts peak positions from the newly collected data and uses this information in updating the analysis resonance assignments and secondary structure. The goal-directed objective function then defines the next data collection step. The procedure continues until the collected data support comprehensive peak identification, resonance assignments at the desired level of completeness, and protein secondary structure. We present test cases in which ADAPT-NMR achieved results in two days or less that would have taken two months or more by manual approaches.

  8. Robust, Integrated Computational Control of NMR Experiments to Achieve Optimal Assignment by ADAPT-NMR

    PubMed Central

    Bahrami, Arash; Tonelli, Marco; Sahu, Sarata C.; Singarapu, Kiran K.; Eghbalnia, Hamid R.; Markley, John L.

    2012-01-01

    ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) represents a groundbreaking prototype for automated protein structure determination by nuclear magnetic resonance (NMR) spectroscopy. With a [13C,15N]-labeled protein sample loaded into the NMR spectrometer, ADAPT-NMR delivers complete backbone resonance assignments and secondary structure in an optimal fashion without human intervention. ADAPT-NMR achieves this by implementing a strategy in which the goal of optimal assignment in each step determines the subsequent step by analyzing the current sum of available data. ADAPT-NMR is the first iterative and fully automated approach designed specifically for the optimal assignment of proteins with fast data collection as a byproduct of this goal. ADAPT-NMR evaluates the current spectral information, and uses a goal-directed objective function to select the optimal next data collection step(s) and then directs the NMR spectrometer to collect the selected data set. ADAPT-NMR extracts peak positions from the newly collected data and uses this information in updating the analysis resonance assignments and secondary structure. The goal-directed objective function then defines the next data collection step. The procedure continues until the collected data support comprehensive peak identification, resonance assignments at the desired level of completeness, and protein secondary structure. We present test cases in which ADAPT-NMR achieved results in two days or less that would have taken two months or more by manual approaches. PMID:22427982

  9. SQUID detected NMR and NQR. Superconducting Quantum Interference Device.

    PubMed

    Augustine, M P; TonThat, D M; Clarke, J

    1998-03-01

    The dc Superconducting QUantum Interference Device (SQUID) is a sensitive detector of magnetic flux, with a typical flux noise of the order 1 muphi0 Hz(-1/2) at liquid helium temperatures. Here phi0 = h/2e is the flux quantum. In our NMR or NQR spectrometer, a niobium wire coil wrapped around the sample is coupled to a thin film superconducting coil deposited on the SQUID to form a flux transformer. With this untuned input circuit the SQUID measures the flux, rather than the rate of change of flux, and thus retains its high sensitivity down to arbitrarily low frequencies. This feature is exploited in a cw spectrometer that monitors the change in the static magnetization of a sample induced by radio frequency irradiation. Examples of this technique are the detection of NQR in 27Al in sapphire and 11B in boron nitride, and a level crossing technique to enhance the signal of 14N in peptides. Research is now focused on a SQUID-based spectrometer for pulsed NQR and NMR, which has a bandwidth of 0-5 MHz. This spectrometer is used with spin-echo techniques to measure the NQR longitudinal and transverse relaxation times of 14N in NH4ClO4, 63+/-6 ms and 22+/-2 ms, respectively. With the aid of two-frequency pulses to excite the 359 kHz and 714 kHz resonances in ruby simultaneously, it is possible to obtain a two-dimensional NQR spectrum. As a third example, the pulsed spectrometer is used to study NMR spectrum of 129Xe after polariza-tion with optically pumped Rb. The NMR line can be detected at frequencies as low as 200 Hz. At fields below about 2 mT the longitudinal relaxation time saturates at about 2000 s. Two recent experiments in other laboratories have extended these pulsed NMR techniques to higher temperatures and smaller samples. In the first, images were obtained of mineral oil floating on water at room temperature. In the second, a SQUID configured as a thin film gradiometer was used to detect NMR in a 50 microm particle of 195Pt at 6 mT and 4.2 K.

  10. Nanoscale Catalysts for NMR Signal Enhancement by Reversible Exchange

    PubMed Central

    2015-01-01

    Two types of nanoscale catalysts were created to explore NMR signal enhancement via reversible exchange (SABRE) at the interface between heterogeneous and homogeneous conditions. Nanoparticle and polymer comb variants were synthesized by covalently tethering Ir-based organometallic catalysts to support materials composed of TiO2/PMAA (poly(methacrylic acid)) and PVP (polyvinylpyridine), respectively, and characterized by AAS, NMR, and DLS. Following parahydrogen (pH2) gas delivery to mixtures containing one type of “nano-SABRE” catalyst particle, a target substrate, and ethanol, up to ∼(−)40-fold and ∼(−)7-fold 1H NMR signal enhancements were observed for pyridine substrates using the nanoparticle and polymer comb catalysts, respectively, following transfer to high field (9.4 T). These enhancements appear to result from intact particles and not from any catalyst molecules leaching from their supports; unlike the case with homogeneous SABRE catalysts, high-field (in situ) SABRE effects were generally not observed with the nanoscale catalysts. The potential for separation and reuse of such catalyst particles is also demonstrated. Taken together, these results support the potential utility of rational design at molecular, mesoscopic, and macroscopic/engineering levels for improving SABRE and HET-SABRE (heterogeneous-SABRE) for applications varying from fundamental studies of catalysis to biomedical imaging. PMID:26185545

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

    DOEpatents

    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.

  12. Proton NMR studies of functionalized nanoparticles in aqueous environments

    NASA Astrophysics Data System (ADS)

    Tataurova, Yulia Nikolaevna

    Nanoscience is an emerging field that can provide potential routes towards addressing critical issues such as clean and sustainable energy, environmental remediation and human health. Specifically, porous nanomaterials, such as zeolites and mesoporous silica, are found in a wide range of applications including catalysis, drug delivery, imaging, environmental protection, and sensing. The characterization of the physical and chemical properties of nanocrystalline materials is essential to the realization of these innovative applications. The great advantage of porous nanocrystals is their increased external surface area that can control their biological, chemical and catalytic activities. Specific functional groups synthesized on the surface of nanoparticles are able to absorb heavy metals from the solution or target disease cells, such as cancer cells. In these studies, three main issues related to functionalized nanomaterials will be addressed through the application of nuclear magnetic resonance (NMR) techniques including: 1) surface composition and structure of functionalized nanocrystalline particles; 2) chemical properties of the guest molecules on the surface of nanomaterials, and 3) adsorption and reactivity of surface bound functional groups. Nuclear magnetic resonance (NMR) is one of the major spectroscopic techniques available for the characterization of molecular structure and conformational dynamics with atomic level detail. This thesis deals with the application of 1H solution state NMR to porous nanomaterial in an aqueous environment. Understanding the aqueous phase behavior of functionalized nanomaterials is a key factor in the design and development of safe nanomaterials because their interactions with living systems are always mediated through the aqueous phase. This is often due to a lack of fundamental knowledge in interfacial chemical and physical phenomena that occur on the surface of nanoparticles. The use of solution NMR spectroscopy results

  13. Analysis of amorphous solid dispersions using 2D solid-state NMR and (1)H T(1) relaxation measurements.

    PubMed

    Pham, Tran N; Watson, Simon A; Edwards, Andrew J; Chavda, Manisha; Clawson, Jacalyn S; Strohmeier, Mark; Vogt, Frederick G

    2010-10-04

    Solid-state NMR (SSNMR) can provide detailed structural information about amorphous solid dispersions of pharmaceutical small molecules. In this study, the ability of SSNMR experiments based on dipolar correlation, spin diffusion, and relaxation measurements to characterize the structure of solid dispersions is explored. Observation of spin diffusion effects using the 2D (1)H-(13)C cross-polarization heteronuclear correlation (CP-HETCOR) experiment is shown to be a useful probe of association between the amorphous drug and polymer that is capable of directly proving glass solution formation. Dispersions of acetaminophen and indomethacin in different polymers are examined using this approach, as well as (1)H double-quantum correlation experiments to probe additional structural features. (1)H-(19)F CP-HETCOR serves a similar role for fluorinated drug molecules such as diflunisal in dispersions, providing a rapid means to prove the formation of a glass solution. Phase separation is detected using (13)C, (19)F, and (23)Na-detected (1)H T(1) experiments in crystalline and amorphous solid dispersions that contain small domains. (1)H T(1) measurements of amorphous nanosuspensions of trehalose and dextran illustrate the ability of SSNMR to detect domain size effects in dispersions that are not glass solutions via spin diffusion effects. Two previously unreported amorphous solid dispersions involving up to three components and containing voriconazole and telithromycin are analyzed using these experiments to demonstrate the general applicability of the approach.

  14. Advanced NMR approaches in the characterization of coal. Final technical report, September 1, 1990--August 31, 1993

    SciTech Connect

    Maciel, G.E.

    1993-09-30

    This project addressed two main goals and one much smaller one. The main goals were (1) to improve the significance, reliability and information content in high-resolution NMR (nuclear magnetic resonance) characterization of coal samples and (2) to develop chemically informative NMR imaging techniques for coal. The minor goal was to explore advanced features of dynamic nuclear polarization (DNP) as a technique for coal characterization; this included the development of two DNP probes and the examination of DNP characteristics of various carbonaceous samples, including coals. {sup 13}C NMR advances for coal depended on large-sample MAS devices, employing either cross-polarization (CP) or direct polarization (DP) approaches. CP and DP spin dynamics and their relationships to quantitation and spin counting were elucidated. {sup 1}H NMR studies, based on CRAMPS, dipolar dephasing and saturation with perdeuteropyridine, led to a {sup 1}H NMR-based elucidation of chemical functionality in coal. {sup 1}H and {sup 13}C NMR imaging techniques, based on magic-angle spinning and rotating magnetic field gradients, were developed for introducing chemical shift information (hence, chemical detail) into the spatial imaging of coal. The TREV multiple-pulse sequence was found to be useful in the {sup 1}H CRAMPS imaging of samples like coal.

  15. SQUID-Detected NMR and MRI in Microtesla Magnetic Fields

    NASA Astrophysics Data System (ADS)

    McDermott, Robert

    2003-03-01

    We have performed liquid-state nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) experiments with a low-T c dc SQUID detector in magnetic fields of the order of microtesla to tens of microtesla, corresponding to proton Larmor frequencies from tens of Hz to kHz. The spins are prepolarized in a field of the order of millitesla. Nonadiabatic switching of the polarizing field induces precession in the much weaker measurement field. Because the SQUID magnetometer is operated with a superconducting input circuit, the sensitivity of the detector is independent of frequency. Therefore, the integrated intensity of the NMR line is independent of the strength of the measurement field. In microtesla fields, it is possible to achieve NMR linewidths of the order of 1 Hz even in the presence of gross field inhomogeneity. Narrowing of the NMR signal bandwidth leads to an enhancement of both spectral resolution and signal-to-noise ratio (SNR). From samples with volume of a few milliliters and thermal polarization of order 10-8, SNR of a few tens are achieved in a single shot. Heteronuclear scalar couplings have been resolved in ^1H-^31P and ^1H-^13C systems. In the context of MRI, the bandwidth-narrowing technique yields an enhancement in spatial resolution for a fixed strength of the encoding gradients. We have acquired MRIs of distilled water and mineral oil phantoms using weak encoding gradients of the order of 10 μT/m; the spatial resolution is a few millimeters. We report on progress toward a SQUID-based system for in vivo MRI, and discuss the prospect for hybrid SQUID systems designed for both biomagnetic measurements and MRI. Supported by U.S. DOE Contract DE-AC03-76SF00098

  16. The source of NMR-detected motional anisotropy of water in blood vessel walls.

    PubMed Central

    Sharf, Y; Knubovets, T; Dayan, D; Hirshberg, A; Akselrod, S; Navon, G

    1997-01-01

    2H Double quantum-filtered (DQF) NMR spectroscopy of deuterated water is sensitive to the presence of order in biological systems. This is because the only nuclei that are detected are those with residual quadrupolar interactions due to their anisotropic motion. In the present study, samples of aorta, coronary and carotid arteries, and vena cava were studied in parallel by 2H DQF NMR and by light microscopy. The average quadrupolar splitting, calculated from the NMR data, varies considerably among the different blood vessels, with high reproducibility for each type of vessel. Polarization microscopy examinations using collagen-specific staining with picrosirius red, have shown a variety of color profiles for the different blood vessels. These reflect different physical modes of aggregation (packing and thickness) of collagen fibers. A correlation was found between the NMR parameters and the color profiles of the picrosirius red-stained sections. Treating the blood vessels with 90% formic acid resulted in the elimination of the 2H DQF NMR signal. Histological analysis demonstrated a complete degradation of collagen and muscle, whereas the elastin filaments were preserved. Evidence is given that the 2H DQF NMR signal is dominated by the contribution of water molecules interacting with the collagen fibers. Images FIGURE 3 PMID:9284287

  17. A microcoil NMR probe for coupling microscale HPLC with on-line NMR spectroscopy.

    PubMed

    Subramanian, R; Kelley, W P; Floyd, P D; Tan, Z J; Webb, A G; Sweedler, J V

    1999-12-01

    An HPLC NMR system is presented that integrates a commercial microbore HPLC system using a 0.5-mm column with a 500-MHz proton NMR spectrometer using a custom NMR probe with an observe volume of 1.1 microL and a coil fill factor of 68%. Careful attention to capillary connections and NMR flow cell design allows on-line NMR detection with no significant loss in separation efficiency when compared with a UV chromatogram. HPLC NMR is performed on mixtures of amino acids and small peptides with analyte injection amounts as small as 750 ng; the separations are accomplished in less than 10 min and individual NMR spectra are acquired with 12 s time resolution. Stopped-flow NMR is achieved by diversion of the chromatographic flow after observation of the beginning of the analyte band within the NMR flow cell. Isolation of the compound of interest within the NMR detection cell allows multidimensional experiments to be performed. A stopped-flow COSY spectrum of the peptide Phe-Ala is acquired in 3.5 h with an injected amount of 5 micrograms.

  18. An introduction to biological NMR spectroscopy.

    PubMed

    Marion, Dominique

    2013-11-01

    NMR spectroscopy is a powerful tool for biologists interested in the structure, dynamics, and interactions of biological macromolecules. This review aims at presenting in an accessible manner the requirements and limitations of this technique. As an introduction, the history of NMR will highlight how the method evolved from physics to chemistry and finally to biology over several decades. We then introduce the NMR spectral parameters used in structural biology, namely the chemical shift, the J-coupling, nuclear Overhauser effects, and residual dipolar couplings. Resonance assignment, the required step for any further NMR study, bears a resemblance to jigsaw puzzle strategy. The NMR spectral parameters are then converted into angle and distances and used as input using restrained molecular dynamics to compute a bundle of structures. When interpreting a NMR-derived structure, the biologist has to judge its quality on the basis of the statistics provided. When the 3D structure is a priori known by other means, the molecular interaction with a partner can be mapped by NMR: information on the binding interface as well as on kinetic and thermodynamic constants can be gathered. NMR is suitable to monitor, over a wide range of frequencies, protein fluctuations that play a crucial role in their biological function. In the last section of this review, intrinsically disordered proteins, which have escaped the attention of classical structural biology, are discussed in the perspective of NMR, one of the rare available techniques able to describe structural ensembles. This Tutorial is part of the International Proteomics Tutorial Programme (IPTP 16 MCP).

  19. An Introduction to Biological NMR Spectroscopy*

    PubMed Central

    Marion, Dominique

    2013-01-01

    NMR spectroscopy is a powerful tool for biologists interested in the structure, dynamics, and interactions of biological macromolecules. This review aims at presenting in an accessible manner the requirements and limitations of this technique. As an introduction, the history of NMR will highlight how the method evolved from physics to chemistry and finally to biology over several decades. We then introduce the NMR spectral parameters used in structural biology, namely the chemical shift, the J-coupling, nuclear Overhauser effects, and residual dipolar couplings. Resonance assignment, the required step for any further NMR study, bears a resemblance to jigsaw puzzle strategy. The NMR spectral parameters are then converted into angle and distances and used as input using restrained molecular dynamics to compute a bundle of structures. When interpreting a NMR-derived structure, the biologist has to judge its quality on the basis of the statistics provided. When the 3D structure is a priori known by other means, the molecular interaction with a partner can be mapped by NMR: information on the binding interface as well as on kinetic and thermodynamic constants can be gathered. NMR is suitable to monitor, over a wide range of frequencies, protein fluctuations that play a crucial role in their biological function. In the last section of this review, intrinsically disordered proteins, which have escaped the attention of classical structural biology, are discussed in the perspective of NMR, one of the rare available techniques able to describe structural ensembles. This Tutorial is part of the International Proteomics Tutorial Programme (IPTP 16 MCP). PMID:23831612

  20. Method of eliminating effects of spurious free induction decay NMR signal caused by imperfect 180 degrees pulses

    SciTech Connect

    Bottomley, P.A.; Edelstein, W.A.

    1984-11-20

    A method for eliminating the effects of a spurious free induction decay (FID) NMR signal due to imperfect 180/sup 0/ RF pulses comprises applying a large magnitude, short duration magnetic field gradient pulse, termed the ''crusher'' pulse immediately following the 180/sup 0/ pulse. When the method is employed with NMR pulse sequences in which the 180/sup 0/ pulse is part of a spin echo type refocusing RF pulse sequence, the 180/sup 0/ pulse is preceded by a magnetic field gradient pulse termed the ''primer'', having an equal integral with respect to time as the crusher pulse. The method is effective in removing NMR image artifacts produced by spurious FID in both planar and three-dimensional NMR imaging methods.

  1. Scalar operators in solid-state NMR

    SciTech Connect

    Sun, Boqin

    1991-11-01

    Selectivity and resolution of solid-state NMR spectra are determined by dispersion of local magnetic fields originating from relaxation effects and orientation-dependent resonant frequencies of spin nuclei. Theoretically, the orientation-dependent resonant frequencies can be represented by a set of irreducible tensors. Among these tensors, only zero rank tensors (scalar operators) are capable of providing high resolution NMR spectra. This thesis presents a series of new developments in high resolution solid-state NMR concerning the reconstruction of various scalar operators motion in solid C{sub 60} is analyzed.

  2. An Inversion Recovery NMR Kinetics Experiment.

    PubMed

    Williams, Travis J; Kershaw, Allan D; Li, Vincent; Wu, Xinping

    2011-05-01

    A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this article will enable instructors to use inversion recovery as a laboratory activity in applied NMR classes and provide research students with a convenient template with which to acquire inversion recovery data on research samples.

  3. NMR reaction monitoring in flow synthesis

    PubMed Central

    Gomez, M Victoria

    2017-01-01

    Recent advances in the use of flow chemistry with in-line and on-line analysis by NMR are presented. The use of macro- and microreactors, coupled with standard and custom made NMR probes involving microcoils, incorporated into high resolution and benchtop NMR instruments is reviewed. Some recent selected applications have been collected, including synthetic applications, the determination of the kinetic and thermodynamic parameters and reaction optimization, even in single experiments and on the μL scale. Finally, software that allows automatic reaction monitoring and optimization is discussed. PMID:28326137

  4. An Inversion Recovery NMR Kinetics Experiment

    PubMed Central

    Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping

    2011-01-01

    A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this article will enable instructors to use inversion recovery as a laboratory activity in applied NMR classes and provide research students with a convenient template with which to acquire inversion recovery data on research samples. PMID:21552343

  5. MAS-NMR at very high temperatures.

    PubMed

    van Wüllen, Leo; Schwering, Georg; Naumann, Ernst; Jansen, Martin

    2004-09-01

    We report MAS-NMR experiments at temperatures of approx. 1200 K using a CO(2) laser as the heating device. An internal NMR thermometer based on the (7)Li T1 data of Li(0.24)La(0.54)TiO(3) is used for temperature calibration. Using this setup, temperatures as high as 1191 K could be reached under MAS conditions as confirmed by the melting of Li(2)B(4)O(7) at 1191 K which could be followed by (7)Li-MAS-NMR.

  6. Probing porous media with gas diffusion NMR

    NASA Technical Reports Server (NTRS)

    Mair, R. W.; Wong, G. P.; Hoffmann, D.; Hurlimann, M. D.; Patz, S.; Schwartz, L. M.; Walsworth, R. L.

    1999-01-01

    We show that gas diffusion nuclear magnetic resonance (GD-NMR) provides a powerful technique for probing the structure of porous media. In random packs of glass beads, using both laser-polarized and thermally polarized xenon gas, we find that GD-NMR can accurately measure the pore space surface-area-to-volume ratio, S/V rho, and the tortuosity, alpha (the latter quantity being directly related to the system's transport properties). We also show that GD-NMR provides a good measure of the tortuosity of sandstone and complex carbonate rocks.

  7. MAS NMR of HIV-1 protein assemblies

    NASA Astrophysics Data System (ADS)

    Suiter, Christopher L.; Quinn, Caitlin M.; Lu, Manman; Hou, Guangjin; Zhang, Huilan; Polenova, Tatyana

    2015-04-01

    The negative global impact of the AIDS pandemic is well known. In this perspective article, the utility of magic angle spinning (MAS) NMR spectroscopy to answer pressing questions related to the structure and dynamics of HIV-1 protein assemblies is examined. In recent years, MAS NMR has undergone major technological developments enabling studies of large viral assemblies. We discuss some of these evolving methods and technologies and provide a perspective on the current state of MAS NMR as applied to the investigations into structure and dynamics of HIV-1 assemblies of CA capsid protein and of Gag maturation intermediates.

  8. NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment.

    PubMed

    Jang, Richard; Wang, Yan; Xue, Zhidong; Zhang, Yang

    2015-08-01

    NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates allows NMR-I-TASSER to sample different topologies while convergence to a single structure is not required. Retroactive and blind tests of the CASD-NMR targets from Rounds 1 and 2 demonstrate that even without using NOE peak lists I-TASSER can generate correct structure topology with 15 of 20 targets having a TM-score above 0.5. With the addition of NOE-based distance restraints, NMR-I-TASSER significantly improved the I-TASSER models with all models having the TM-score above 0.5. The average RMSD was reduced from 5.29 to 2.14 Å in Round 1 and 3.18 to 1.71 Å in Round 2. There is no obvious difference in the modeling results with using raw and refined peak lists, indicating robustness of the pipeline to the NOE assignment errors. Overall, despite the low-resolution modeling the current NMR-I-TASSER pipeline provides a coarse-grained structure folding approach complementary to traditional molecular dynamics simulations, which can produce fast near-native frameworks for atomic-level structural refinement.

  9. NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment

    PubMed Central

    Jang, Richard; Wang, Yan

    2015-01-01

    NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates allows NMR-I-TASSER to sample different topologies while convergence to a single structure is not required. Retroactive and blind tests of the CASD-NMR targets from Rounds 1 and 2 demonstrate that even without using NOE peak lists I-TASSER can generate correct structure topology with 15 of 20 targets having a TM-score above 0.5. With the addition of NOE-based distance restraints, NMR-I-TASSER significantly improved the I-TASSER models with all models having the TM-score above 0.5. The average RMSD was reduced from 5.29 to 2.14 Å in Round 1 and 3.18 to 1.71 Å in Round 2. There is no obvious difference in the modeling results with using raw and refined peak lists, indicating robustness of the pipeline to the NOE assignment errors. Overall, despite the low-resolution modeling the current NMR-I-TASSER pipeline provides a coarse-grained structure folding approach complementary to traditional molecular dynamics simulations, which can produce fast near-native frameworks for atomic-level structural refinement. PMID:25737244

  10. Producing >60,000-fold room-temperature 89Y NMR signal enhancement

    NASA Astrophysics Data System (ADS)

    Lumata, Lloyd; Jindal, Ashish; Merritt, Matthew; Malloy, Craig; Sherry, A. Dean; Kovacs, Zoltan

    2011-03-01

    89 Y in chelated form is potentially valuable in medical imaging because its chemical shift is sensitive to local factors in tumors such as pH. However, 89 Y has a low gyromagnetic ratio γn thus its NMR signal is hampered by low thermal polarization. Here we show that we can enhance the room-temperature NMR signal of 89 Y up to 65,000 times the thermal signal, which corresponds to 10 % nuclear polarization, via fast dissolution dynamic nuclear polarization (DNP). The relatively long spin-lattice relaxation time T1 (~ 500 s) of 89 Y translates to a long polarization lifetime. The 89 Y NMR enhancement is optimized by varying the glassing matrices and paramagnetic agents as well as doping the samples with a gadolinium relaxation agent. Co-polarization of 89 Y-DOTA with a 13 C sample shows that both nuclear spin species acquire the same spin temperature Ts , consistent with thermal mixing mechanism of DNP. The high room-temperature NMR signal enhancement places 89 Y, one of the most challenging nuclei to detect by NMR, in the list of viable magnetic resonance imaging (MRI) agents when hyperpolarized under optimized conditions. This work is supported in part by the National Institutes of Health grant numbers 1R21EB009147-01 and RR02584.

  11. Investigations of the structure and "interfacial" surface chemistry of Bioglass (RTM) materials by solid-state multinuclear NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Sarkar, Gautam

    Bioactive materials such as BioglassRTM 45S5 (45% SiO 2, 24.5% CaO, 24.5% Na2O, and 6% P2O5 by weight) are sodium-phosphosilicate glasses containing independent three-dimensional silicate and phosphate networks and Na+ and Ca2+ ions as modifying cations. Due to their bioactivity, these materials are currently used as implants and for other surgical and clinical applications. The bioactivity of BioglassesRTM is due to their unique capability to form chemical bonds to tissues through an octacalciumphosphate (OCP)- and/or hydroxyapatite-like (HA) "interfacial" matrix. The formation of OCP and/or HA is preceded by the formation of a silica-rich surface layer and the subsequent growth of an amorphous calcium phosphate (a-CP) layer. Structural characterization of a series of commercial and synthesized Bioglass materials 45S5 52S, 55S, 60S, and synthesized 17O-labelled "Bioglass materials 45S, 52S, 55S and 60S" have been obtained using solid-state single-pulse magic-angle spinning (SP/MAS) 17O, 23Na, 29Si and 31P NMR. The 17O NMR isotropic chemical shifts and estimates of the quadrupole coupling constants (Cq) [at fixed asymmetry parameter ( hQ ) values of zero] have been obtained from solid-state spin-echo 17O SP/MAS NMR spectra of 17O-labelled "Bioglasses". The simulation results of these spectra reveal the presence of both bridging-oxygens (BO, i.e. ≡ Si-17OSi ≡ ) and non-bridging oxygens (NBO, i.e. ≡ Si-17O-Na+/Ca2+ ) in the silicate networks in these materials. 17O NMR spectra of these Bioglass materials do not show any direct evidence for the presence of BO and NBO atoms in the phosphate units; however, they are expected to be present in small amounts. In vitro reactions of BioglassRTM 45S5, 60S and 77S powders have been used to study the "interfacial" surface chemistry of these materials in simulated body-fluid (SBF, Kyoto or K9 solution) and/or 17O-enriched tris-buffer solution. 29Si and 31P SP/MAS NMR have been used to identify and quantify the extent of

  12. In vivo imaging of the rat anatomy with nuclear magnetic resonance.

    PubMed

    Hansen, G; Crooks, L E; Davis, P; De Groot, J; Herfkens, R; Margulis, A R; Gooding, C; Kaufman, L; Hoenninger, J; Arakawa, M; McRee, R; Watts, J

    1980-09-01

    Live rats were imaged by nuclear magnetic resonance (NMR). These images demonstrated fine detail and high object contrast. Motion artifacts are not apparent in 4-minute images, and major blood vessels are demonstrated as regions of low signal intensity because of blood flow. Selective contrast enhancement is possible by varying NMR imager accumulation parameters.

  13. A ferromagnetic shim insert for NMR magnets - Towards an integrated gyrotron for DNP-NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Ryan, Herbert; van Bentum, Jan; Maly, Thorsten

    2017-04-01

    In recent years high-field Dynamic Nuclear Polarization (DNP) enhanced NMR spectroscopy has gained significant interest. In high-field DNP-NMR experiments (⩾400 MHz 1H NMR, ⩾9.4 T) often a stand-alone gyrotron is used to generate high microwave/THz power to produce sufficiently high microwave induced B1e fields at the position of the NMR sample. These devices typically require a second, stand-alone superconducting magnet to operate. Here we present the design and realization of a ferroshim insert, to create two iso-centers inside a commercially available wide-bore NMR magnet. This work is part of a larger project to integrate a gyrotron into NMR magnets, effectively eliminating the need for a second, stand-alone superconducting magnet.

  14. A ferromagnetic shim insert for NMR magnets - Towards an integrated gyrotron for DNP-NMR spectroscopy.

    PubMed

    Ryan, Herbert; van Bentum, Jan; Maly, Thorsten

    2017-04-01

    In recent years high-field Dynamic Nuclear Polarization (DNP) enhanced NMR spectroscopy has gained significant interest. In high-field DNP-NMR experiments (⩾400MHz (1)H NMR, ⩾9.4T) often a stand-alone gyrotron is used to generate high microwave/THz power to produce sufficiently high microwave induced B1e fields at the position of the NMR sample. These devices typically require a second, stand-alone superconducting magnet to operate. Here we present the design and realization of a ferroshim insert, to create two iso-centers inside a commercially available wide-bore NMR magnet. This work is part of a larger project to integrate a gyrotron into NMR magnets, effectively eliminating the need for a second, stand-alone superconducting magnet. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. NMR Analysis of Unknowns: An Introduction to 2D NMR Spectroscopy

    ERIC Educational Resources Information Center

    Alonso, David E.; Warren, Steven E.

    2005-01-01

    A study combined 1D (one-dimensional) and 2D (two-dimensional) NMR spectroscopy to solve structural organic problems of three unknowns, which include 2-, 3-, and 4-heptanone. Results showed [to the first power]H NMR and [to the thirteenth power]C NMR signal assignments for 2- and 3-heptanone were more challenging than for 4-heptanone owing to the…

  16. NMR Analysis of Unknowns: An Introduction to 2D NMR Spectroscopy

    ERIC Educational Resources Information Center

    Alonso, David E.; Warren, Steven E.

    2005-01-01

    A study combined 1D (one-dimensional) and 2D (two-dimensional) NMR spectroscopy to solve structural organic problems of three unknowns, which include 2-, 3-, and 4-heptanone. Results showed [to the first power]H NMR and [to the thirteenth power]C NMR signal assignments for 2- and 3-heptanone were more challenging than for 4-heptanone owing to the…

  17. NMR Methods to Study Dynamic Allostery.

    PubMed

    Grutsch, Sarina; Brüschweiler, Sven; Tollinger, Martin

    2016-03-01

    Nuclear magnetic resonance (NMR) spectroscopy provides a unique toolbox of experimental probes for studying dynamic processes on a wide range of timescales, ranging from picoseconds to milliseconds and beyond. Along with NMR hardware developments, recent methodological advancements have enabled the characterization of allosteric proteins at unprecedented detail, revealing intriguing aspects of allosteric mechanisms and increasing the proportion of the conformational ensemble that can be observed by experiment. Here, we present an overview of NMR spectroscopic methods for characterizing equilibrium fluctuations in free and bound states of allosteric proteins that have been most influential in the field. By combining NMR experimental approaches with molecular simulations, atomistic-level descriptions of the mechanisms by which allosteric phenomena take place are now within reach.

  18. Interfaces in polymer nanocomposites - An NMR study

    NASA Astrophysics Data System (ADS)

    Böhme, Ute; Scheler, Ulrich

    2016-03-01

    Nuclear Magnetic Resonance (NMR) is applied for the investigation of polymer nanocomposites. Solid-state NMR is applied to study the modification steps to compatibilize layered double hydroxides with non-polar polymers. 1H relaxation NMR gives insight on the polymer dynamics over a wide range of correlation times. For the polymer chain dynamics the transverse relaxation time T2 is most suited. In this presentation we report on two applications of T2 measurements under external mechanical stress. In a low-field system relaxation NMR studies are performed in-situ under uniaxial stress. High-temperature experiments in a Couette cell permit the investigation of the polymer dynamics in the melt under shear flow.

  19. NMR-Assisted Molecular Docking Methodologies.

    PubMed

    Sturlese, Mattia; Bellanda, Massimo; Moro, Stefano

    2015-08-01

    Nuclear magnetic resonance (NMR) spectroscopy and molecular docking are regularly being employed as helpful tools of drug discovery research. Molecular docking is an extremely rapid method to evaluate possible binders from a large chemical library in a fast and cheap manner. NMR techniques can directly detect a protein-ligand interaction, can determine the corresponding association constant, and can consistently identify the ligand binding cavity. Consequently, molecular docking and NMR techniques are naturally complementary techniques where the combination of the two has the potential to improve the overall efficiency of drug discovery process. In this review, we would like to summarize the state of the art of docking methods which have been recently bridged to NMR experiments to identify novel and effective therapeutic drug candidates.

  20. Relaxation time estimation in surface NMR

    DOEpatents

    Grunewald, Elliot D.; Walsh, David O.

    2017-03-21

    NMR relaxation time estimation methods and corresponding apparatus generate two or more alternating current transmit pulses with arbitrary amplitudes, time delays, and relative phases; apply a surface NMR acquisition scheme in which initial preparatory pulses, the properties of which may be fixed across a set of multiple acquisition sequence, are transmitted at the start of each acquisition sequence and are followed by one or more depth sensitive pulses, the pulse moments of which are varied across the set of multiple acquisition sequences; and apply processing techniques in which recorded NMR response data are used to estimate NMR properties and the relaxation times T.sub.1 and T.sub.2* as a function of position as well as one-dimensional and two-dimension distributions of T.sub.1 versus T.sub.2* as a function of subsurface position.

  1. A New Microcell Technique for NMR Analysis.

    ERIC Educational Resources Information Center

    Yu, Sophia J.

    1987-01-01

    Describes a new laboratory technique for working with small samples of compounds used in nuclear magnetic resonance (NMR) analysis. Demonstrates how microcells can be constructed for each experiment and samples can be recycled. (TW)

  2. A New Microcell Technique for NMR Analysis.

    ERIC Educational Resources Information Center

    Yu, Sophia J.

    1987-01-01

    Describes a new laboratory technique for working with small samples of compounds used in nuclear magnetic resonance (NMR) analysis. Demonstrates how microcells can be constructed for each experiment and samples can be recycled. (TW)

  3. NMR analysis of compositional heterogeneity in polysaccharides

    USDA-ARS?s Scientific Manuscript database

    Many copolysaccharides are compositionally heterogeneous, and the composition determined by the usual analytical or spectroscopic methods provides only an average value. For some polysaccharides, the NMR data contain copolymer sequence information, such as diad, triad, and tetrad sequence intensiti...

  4. NMR Methods to Study Dynamic Allostery

    PubMed Central

    Grutsch, Sarina; Brüschweiler, Sven; Tollinger, Martin

    2016-01-01

    Nuclear magnetic resonance (NMR) spectroscopy provides a unique toolbox of experimental probes for studying dynamic processes on a wide range of timescales, ranging from picoseconds to milliseconds and beyond. Along with NMR hardware developments, recent methodological advancements have enabled the characterization of allosteric proteins at unprecedented detail, revealing intriguing aspects of allosteric mechanisms and increasing the proportion of the conformational ensemble that can be observed by experiment. Here, we present an overview of NMR spectroscopic methods for characterizing equilibrium fluctuations in free and bound states of allosteric proteins that have been most influential in the field. By combining NMR experimental approaches with molecular simulations, atomistic-level descriptions of the mechanisms by which allosteric phenomena take place are now within reach. PMID:26964042

  5. NMR Experiment Factors Numbers with Gauss Sums

    NASA Astrophysics Data System (ADS)

    Mehring, Michael; Müller, Klaus; Averbukh, Ilya Sh.; Merkel, Wolfgang; Schleich, Wolfgang P.

    2007-03-01

    We factor the number 157573 using an NMR implementation of Gauss sums. Although the current implementation is classical and scales exponentially, we believe that an extension to the quantum regime using entangled states is possible.

  6. Modern NMR spectroscopy: a guide for chemists

    SciTech Connect

    Sanders, J.K.M.; Hunter, B.K.

    1988-01-01

    The aim of the authors of Modern NMR Spectroscopy is to bridge the communication gap between the chemist and the spectroscopist. The approach is nonmathematical, descriptive, and pictorial. To illustrate the ideas introduced in the text, the authors provide original spectra obtained specially for this purpose. Examples include spectroscopy of protons, carbon, and less receptive nuclei of interest to inorganic chemists. The authors succeed in making high-resolution NMR spectroscopy comprehensible for the average student or chemist.

  7. NMR studies of multiphase flows II

    SciTech Connect

    Altobelli, S.A.; Caprihan, A.; Fukushima, E.

    1995-12-31

    NMR techniques for measurements of spatial distribution of material phase, velocity and velocity fluctuation are being developed and refined. Versions of these techniques which provide time average liquid fraction and fluid phase velocity have been applied to several concentrated suspension systems which will not be discussed extensively here. Technical developments required to further extend the use of NMR to the multi-phase flow arena and to provide measurements of previously unobtainable parameters are the focus of this report.

  8. Frontiers of NMR in Molecular Biology

    SciTech Connect

    1999-08-25

    NMR spectroscopy is expanding the horizons of structural biology by determining the structures and describing the dynamics of blobular proteins in aqueous solution, as well as other classes of proteins including membrane proteins and the polypeptides that form the aggregates diagnostic of prion and amyloid diseases. Significant results are also emerging on DNA and RNA oligomers and their complexes with proteins. This meeting focused attention on key structural questions emanating from molecular biology and how NMR spectroscopy can be used to answer them.

  9. Transforming NMR Data Despite Missing Points

    NASA Astrophysics Data System (ADS)

    Kuethe, Dean O.; Caprihan, Arvind; Lowe, Irving J.; Madio, David P.; Gach, H. Michael

    1999-07-01

    Some NMR experiments produce data with several of the initial points missing. The inverse discrete Fourier transform (IDFT) assumes these points are present so the data cannot be so transformed without artifact-ridden results. This problem is often particularly severe when projection imaging with free-induction decays (FIDs). This paper compares recent methods for obtaining a projection from incomplete data and elaborates on their strengths and limitations. One method is to write the transform that would take the desired projection to the truncated data set, and then solve the matrix equation by singular value decomposition. A second replaces the missing data with zeros, so that an IDFT produces a projection with unwanted artifacts. Then one solves the matrix equation that takes the desired projection to the artifact-ridden projection. A third uses the same artifact-ridden projection, but fits the region outside the bandwidth of the sample with as many sinusoidal functions as there are missing data. The coefficients of these functions are estimates of the missing data, and the projection is obtained by transforming the completed FID or subtracting the extrapolation of the fitted curve from the region containing the object. We show that when all three methods are applicable, they theoretically produce the same result. They differ by ease of implementation and possibly by computational errors. They give a result similar to that of the previous method that iteratively corrects the FID and projection after repeated IDFTs and DFTs. We find that one can obtain a projection despite missing a substantial number of data.

  10. Sparse Sampling Methods In Multidimensional NMR

    PubMed Central

    Mobli, Mehdi; Maciejewski, Mark W.; Schuyler, Adam D.; Stern, Alan S.; Hoch, Jeffrey C.

    2014-01-01

    Although the discrete Fourier transform played an enabling role in the development of modern NMR spectroscopy, it suffers from a well-known difficulty providing high-resolution spectra from short data records. In multidimensional NMR experiments, so-called indirect time dimensions are sampled parametrically, with each instance of evolution times along the indirect dimensions sampled via separate one-dimensional experiments. The time required to conduct multidimensional experiments is directly proportional to the number of indirect evolution times sampled. Despite remarkable advances in resolution with increasing magnetic field strength, multiple dimensions remain essential for resolving individual resonances in NMR spectra of biological macromolecues. Conventional Fourier-based methods of spectrum analysis limit the resolution that can be practically achieved in the indirect dimensions. Nonuniform or sparse data collection strategies, together with suitable non-Fourier methods of spectrum analysis, enable high-resolution multidimensional spectra to be obtained. Although some of these approaches were first employed in NMR more than two decades ago, it is only relatively recently that they have been widely adopted. Here we describe the current practice of sparse sampling methods and prospects for further development of the approach to improve resolution and sensitivity and shorten experiment time in multidimensional NMR. While sparse sampling is particularly promising for multidimensional NMR, the basic principles could apply to other forms of multidimensional spectroscopy. PMID:22481242

  11. Single-file nanochannel persistence lengths from NMR.

    PubMed

    Dvoyashkin, Muslim; Bhase, Hrishi; Mirnazari, Navid; Vasenkov, Sergey; Bowers, Clifford R

    2014-02-18

    Crystalline solids composed of one-dimensional channels with cross-sectional dimensions below 1 nm represent an intriguing class of materials with important potential applications. A key characteristic for certain applications is the average open channel persistence length, i.e., the ensemble average distance from a channel opening to the first obstruction. This paper introduces an NMR-based methodology to measure this quantity. The protocol is applied to polycrystalline specimens of two different dipeptide nanotubes: l-Ala-l-Val and its retro-analog l-Val-l-Ala. Persistence lengths derived from the NMR measurements are found to be comparable to the typical crystallite dimensions seen in scanning electron microscopy (SEM) images, indicating that the crystals of these AV and VA specimens are essentially hollow with practically no blockages. Applications of the method to an AV sample that has been pulverized in a mortar and pestle showed that the open channel persistence length was reduced from 50 to 6.6 μm, consistent with the crystallite sizes observed in SEM images.

  12. Investigating Sodium Storage Mechanisms in Tin Anodes: A Combined Pair Distribution Function Analysis, Density Functional Theory, and Solid-State NMR Approach

    DOE PAGES

    Stratford, Joshua M.; Mayo, Martin; Allan, Phoebe K.; ...

    2017-05-04

    Here, the alloying mechanism of high-capacity tin anodes for sodium-ion batteries is investigated using a combined theoretical and experimental approach. Ab initio random structure searching (AIRSS) and high-throughput screening using a species-swap method provide insights into a range of possible sodium–tin structures. These structures are linked to experiments using both average and local structure probes in the form of operando pair distribution function analysis, X-ray diffraction, and 23Na solid-state nuclear magnetic resonance (ssNMR), along with ex situ 119Sn ssNMR. Through this approach, we propose structures for the previously unidentified crystalline and amorphous intermediates. The first electrochemical process of sodium insertionmore » into tin results in the conversion of crystalline tin into a layered structure consisting of mixed Na/Sn occupancy sites intercalated between planar hexagonal layers of Sn atoms (approximate stoichiometry NaSn3). Following this, NaSn2, which is predicted to be thermodynamically stable by AIRSS, forms; this contains hexagonal layers closely related to NaSn3, but has no tin atoms between the layers. NaSn2 is broken down into an amorphous phase of approximate composition Na1.2Sn. Reverse Monte Carlo refinements of an ab initio molecular dynamics model of this phase show that the predominant tin connectivity is chains. Further reaction with sodium results in the formation of structures containing Sn–Sn dumbbells, which interconvert through a solid-solution mechanism. These structures are based upon Na5–xSn2, with increasing occupancy of one of its sodium sites commensurate with the amount of sodium added. ssNMR results indicate that the final product, Na15Sn4, can store additional sodium atoms as an off-stoichiometry compound (Na15+xSn4) in a manner similar to Li15Si4.« less

  13. Cardiovascular Magnetic Resonance Imaging

    NASA Astrophysics Data System (ADS)

    Pelc, Norbert

    2000-03-01

    Cardiovascular diseases are a major source of morbidity and mortality in the United States. Early detection of disease can often be used to improved outcomes, either through direct interventions (e.g. surgical corrections) or by causing the patient to modify his or her behavior (e.g. smoking cessation or dietary changes). Ideally, the detection process should be noninvasive (i.e. it should not be associated with significant risk). Magnetic Resonance Imaging (MRI) refers to the formation of images by localizing NMR signals, typically from protons in the body. As in other applications of NMR, a homogeneous static magnetic field ( ~0.5 to 4 T) is used to create ``longitudinal" magnetization. A magnetic field rotating at the Larmor frequency (proportional to the static field) excites spins, converting longitudinal magnetization to ``transverse" magnetization and generating a signal. Localization is performed using pulsed gradients in the static field. MRI can produce images of 2-D slices, 3-D volumes, time-resolved images of pseudo-periodic phenomena such as heart function, and even real-time imaging. It is also possible to acquire spatially localized NMR spectra. MRI has a number of advantages, but perhaps the most fundamental is the richness of the contrast mechanisms. Tissues can be differentiated by differences in proton density, NMR properties, and even flow or motion. We also have the ability to introduce substances that alter NMR signals. These contrast agents can be used to enhance vascular structures and measure perfusion. Cardiovascular MRI allows the reliable diagnosis of important conditions. It is possible to image the blood vessel tree, quantitate flow and perfusion, and image cardiac contraction. Fundamentally, the power of MRI as a diagnostic tool stems from the richness of the contrast mechanisms and the flexibility in control of imaging parameters.

  14. Microflow NMR: concepts and capabilities.

    PubMed

    Olson, Dean L; Norcross, James A; O'Neil-Johnson, Mark; Molitor, Paul F; Detlefsen, David J; Wilson, Aaron G; Peck, Timothy L

    2004-05-15

    The principles and parameters to consider when choosing an NMR probe for analysis of a volume- or mass-limited sample are identified and discussed. In particular, a capillary-based microflow probe is described which has a mass sensitivity comparable to cryoprobes (observe volume approximately 40 microL), but with several distinct advantages. The microflow probe has a flowcell volume of 5 microL and an observe volume of 1.5 microL and is equipped with proton and carbon observe channels, deuterium lock, and z-gradient capability. The entire flow path is fused silica; inlet and outlet capillary inner diameters are 50 microm to minimize sample dispersion, making it well-suited to volume-limited samples. An injected sample of 1 nmol of sucrose (0.34 microg in 3 microL, 0.33 mM; MW = 342 g/mol) yields a 1D proton spectrum in 10 min on a spectrometer of 500 MHz or higher. In another example, 15 microg of sucrose (in 3 microL; 15 mM, 45 nmol) is injected and parked in the probe to yield a heteronuclear multiple-quantum coherence (HMQC) spectrum in less than 15 h. The natural product muristerone A (75 microg in 3 microL, 50 mM, 150 nmol; MW = 497 g/mol) was delivered to the flow cell, and a gradient correlation spectroscopy spectrum was acquired in 7 min, a gradient HMQC in 4 h, and a gradient heteronuclear multiple-bond correlation in 11 h. Four basic modes of sample injection into the probe vary in degree of user intervention, speed, solvent consumption, and sample delivery efficiency. Manual, manual-assisted (employing a micropump), automated (using an autosampler), and capillary HPLC modes of operation are described.

  15. The use of 1H NMR microscopy to study proton-exchange membrane fuel cells.

    PubMed

    Feindel, Kirk W; Bergens, Steven H; Wasylishen, Roderick E

    2006-01-16

    To understand proton-exchange membrane fuel cells (PEMFCs) better, researchers have used several techniques to visualize their internal operation. This Concept outlines the advantages of using 1H NMR microscopy, that is, magnetic resonance imaging, to monitor the distribution of water in a working PEMFC. We describe what a PEMFC is, how it operates, and why monitoring water distribution in a fuel cell is important. We will focus on our experience in constructing PEMFCs, and demonstrate how 1H NMR microscopy is used to observe the water distribution throughout an operating hydrogen PEMFC. Research in this area is briefly reviewed, followed by some comments regarding challenges and anticipated future developments.

  16. Apparatus for preparing a solution of a hyperpolarized noble gas for NMR and MRI analysis

    DOEpatents

    Pines, Alexander; Budinger, Thomas; Navon, Gil; Song, Yi-Qiao; Appelt, Stephan; Bifone, Angelo; Taylor, Rebecca; Goodson, Boyd; Seydoux, Roberto; Room, Toomas; Pietrass, Tanja

    2008-06-10

    The present invention relates generally to nuclear magnetic resonance (NMR) techniques for both spectroscopy and imaging. More particularly, the present invention relates to methods in which hyperpolarized noble gases (e.g., Xe and He) are used to enhance and improve NMR and MRI. Additionally, the hyperpolarized gas solutions of the invention are useful both in vitro and in vivo to study the dynamics or structure of a system. When used with biological systems, either in vivo or in vitro, it is within the scope of the invention to target the hyperpolarized gas and deliver it to specific regions within the system.

  17. Enhancement of NMR and MRI in the presence of hyperpolarized noble gases

    DOEpatents

    Pines, Alexander; Budinger, Thomas; Navon, Gil; Song, Yi-Qiao; Appelt, Stephan; Bifone, Angelo; Taylor, Rebecca; Goodson, Boyd; Seydoux, Roberto; Room, Toomas; Pietrass, Tanja

    2004-11-16

    The present invention relates generally to nuclear magnetic resonance (NMR) techniques for both spectroscopy and imaging. More particularly, the present invention relates to methods in which hyperpolarized noble gases (e.g., Xe and He) are used to enhance and improve NMR and MRI. Additionally, the hyperpolarized gas solutions of the invention are useful both in vitro and in vivo to study the dynamics or structure of a system. When used with biological systems, either in vivo or in vitro, it is within the scope of the invention to target the hyperpolarized gas and deliver it to specific regions within the system.

  18. NMR-based metabolomics of prostate cancer: a protagonist in clinical diagnostics.

    PubMed

    Kumar, Deepak; Gupta, Ashish; Nath, Kavindra

    2016-06-01

    Advances in the application of NMR spectroscopy-based metabolomic profiling of prostate cancer comprises a potential tactic for understanding the impaired biochemical pathways arising due to a disease evolvement and progression. This technique involves qualitative and quantitative estimation of plethora of small molecular weight metabolites of body fluids or tissues using state-of-the-art chemometric methods delivering an important platform for translational research from basic to clinical, to reveal the pathophysiological snapshot in a single step. This review summarizes the present arrays and recent advancements in NMR-based metabolomics and a glimpse of currently used medical imaging tactics, with their role in clinical diagnosis of prostate cancer.

  19. Integrated microchip incorporating atomic magnetometer and microfluidic channel for NMR and MRI

    DOEpatents

    Ledbetter, Micah P [Oakland, CA; Savukov, Igor M [Los Alamos, NM; Budker, Dmitry [El Cerrito, CA; Shah, Vishal K [Plainsboro, NJ; Knappe, Svenja [Boulder, CO; Kitching, John [Boulder, CO; Michalak, David J [Berkeley, CA; Xu, Shoujun [Houston, TX; Pines, Alexander [Berkeley, CA

    2011-08-09

    An integral microfluidic device includes an alkali vapor cell and microfluidic channel, which can be used to detect magnetism for nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI). Small magnetic fields in the vicinity of the vapor cell can be measured by optically polarizing and probing the spin precession in the small magnetic field. This can then be used to detect the magnetic field of in encoded analyte in the adjacent microfluidic channel. The magnetism in the microfluidic channel can be modulated by applying an appropriate series of radio or audio frequency pulses upstream from the microfluidic chip (the remote detection modality) to yield a sensitive means of detecting NMR and MRI.

  20. Hypothesis driven assessment of an NMR curriculum

    NASA Astrophysics Data System (ADS)

    Cossey, Kimberly

    The goal of this project was to develop a battery of assessments to evaluate an undergraduate NMR curriculum at Penn State University. As a chemical education project, we sought to approach the problem of curriculum assessment from a scientific perspective, while remaining grounded in the education research literature and practices. We chose the phrase hypothesis driven assessment to convey this process of relating the scientific method to the study of educational methods, modules, and curricula. We began from a hypothesis, that deeper understanding of one particular analytical technique (NMR) will increase undergraduate students' abilities to solve chemical problems. We designed an experiment to investigate this hypothesis, and data collected were analyzed and interpreted in light of the hypothesis and several related research questions. The expansion of the NMR curriculum at Penn State was funded through the NSF's Course, Curriculum, and Laboratory Improvement (CCLI) program, and assessment was required. The goal of this project, as stated in the grant proposal, was to provide NMR content in greater depth by integrating NMR modules throughout the curriculum in physical chemistry, instrumental, and organic chemistry laboratory courses. Hands-on contact with the NMR spectrometer and NMR data and repeated exposure of the analytical technique within different contexts (courses) were unique factors of this curriculum. Therefore, we maintained a focus on these aspects throughout the evaluation process. The most challenging and time-consuming aspect of any assessment is the development of testing instruments and methods to provide useful data. After key variables were defined, testing instruments were designed to measure these variables based on educational literature (Chapter 2). The primary variables measured in this assessment were: depth of understanding of NMR, basic NMR knowledge, problem solving skills (HETCOR problem), confidence for skills used in class (within