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Sample records for 23na nmr imaging

  1. NMR study of 23Na shielding tensor in sodium bromate single crystal

    NMR-investigations of sodium bromate showed that the electronic shielding of the 23Na nucleus is anisotropic. The effect is qualitatively explained by the deformation of electronic shells of the Na+ ion

  2. 23Na and 1H NMR studies on melittin channels activated by tricyclic tranquilizers.

    Tanaka, H.; Matsunaga, K.; Kawazura, H

    1992-01-01

    A dynamic 23Na nuclear magnetic resonance (NMR) technique was applied to the exchange system of Na+ ions present inside and outside large unilamellar vesicles at an equivalent concentration. Addition of melittin to phosphatidylcholine vesicles did not induce any detectable Na+ transport across the membrane but subsequent addition of a trace of chlorpromazine or imipramine did induce Na+ transport. Because the formation of a drug-melittin adduct in a solution was detected by 1H NMR, the activa...

  3. Functional MRI 2.0. 23Na and CEST imaging

    In recent years the purely morphological magnetic resonance imaging (MRI) has been increasingly flanked by so-called functional imaging methods, such as diffusion-weighted imaging (DWI), to obtain additional information about tissue or pathological processes. This review article presents two MR techniques that can detect physiological processes in the human body. In contrast to all other functional MR imaging techniques, which are based on hydrogen protons, the first technique presented (X-nuclei imaging) uses the spin of other nuclei for imaging and consequently allows a completely different insight into the human body. In this article X-nuclei imaging is focused on sodium (23Na) MRI because it currently represents the main focus of research in this field due to the favorable MR properties of sodium. The second MR technique presented is the relatively novel chemical exchange saturation transfer (CEST) imaging that can detect exchange processes between protons in metabolites and protons in free water. The first part of this article introduces the basic technical principles, problems, advantages and disadvantages of these two MR techniques, whereas the second part highlights the potential clinical applications. Examples illustrate several potential applications in neuroimaging (e. g. stroke and tumors), musculoskeletal imaging (e. g. osteoarthritis and degenerative processes) and abdominal imaging (e. g. kidneys and hypertension). Both techniques inherently contain an incredible potential for future imaging but are still on the threshold of clinical use and are currently under evaluation in many university centers. (orig.)

  4. 23Na and 1H NMR Relaxometry of Shale at High Magnetic Field

    Yang, Donghan

    2016-01-01

    Formation evaluation of unconventional reservoirs is challenging due to the coexistence of different phases such as kerogen, bitumen, movable and bound light hydrocarbon and water. Current low-frequency (0.05 T) nuclear magnetic resonance (NMR) laboratory and logging methods are incapable of quantitatively separating the different phases. We demonstrate the utility of high-field (9 T) NMR 2D T1-T2 measurements for separating hydrocarbon and the clay-interacting aqueous phases in shale based on the difference in the frequency dependence of the spin-lattice relaxation time. Furthermore, we demonstrate 23Na NMR as a promising complementary technique to conventional 1H NMR for shale fluid typing, taking advantage of the fact that sodium ions are only present in the aqueous phase. We validate high-field (9 T) 23Na-1H NMR relaxometry for assessing brine-filled porosity and brine salinity in various porous materials, including porous glass, conventional rocks, clays, and shale, and apply it for differentiating hydro...

  5. Investigation of Sodium Distribution in Phosphate Glasses Using Spin-Echo {sup 23}Na NMR

    ALAM, TODD M.; BOYLE, TIMOTHY J.; BROW, RICHARD K.; CLICK, CAROL C.; CONZONE, SAM; McLAUGHLIN, JAY; ZWANZIGER, JOE

    1999-09-16

    The spatial arrangement of sodium cations for a series of sodium phosphate glasses, xNa{sub 2}O(100-x)P{sub 2}O{sub 5} (x<55), were investigated using {sup 23}Na spin-echo NMR spectroscopy. The spin-echo decay rate is a function of the Na-Na homonuclear dipolar coupling and is related to the spatial proximity of neighboring Na nuclei. The spin-echo decay rate in these sodium phosphate glasses increases non-linearly with higher sodium number density, and thus provides a measure of the Na-Na extended range order. The results of these {sup 23}Na NMR experiments are discussed within the context of several structural models, including a decimated crystal lattice model, cubic dilation lattice model, a hard sphere (HS) random distribution model and a pair-wise cluster hard sphere model. While the experimental {sup 23}Na spin-echo M{sub 2} are described adequately by both the decimated lattice and the random HS model, it is demonstrated that the slight non-linear behavior of M{sub 2} as a function of sodium number density is more correctly described by the random distribution in the HS model. At low sodium number densities the experimental M{sub 2} is inconsistent with models incorporating Na-Na clustering. The ability to distinguish between Na-Na clusters and non-clustered distributions becomes more difficult at higher sodium concentrations.

  6. Quadrupolar-coupling-specific binomial pulse sequences for in vivo 23Na NMR and MRI.

    Laustsen, Christoffer; Ringgaard, Steffen; Pedersen, Michael; Nielsen, Niels Chr

    2010-09-01

    Aimed at selective detection of (23)Na with specific quadrupolar couplings for in vitro NMR and MRI, we present a series of quadrupolar binomial pulse sequences offering high specificity with respect to the quadrupolar couplings of the excited species. It is demonstrated that pulse sequences with an increasing number of elements, e.g., 11, 121, 1331, 14641, and 15101051, with the units representing flip angles smaller than the 90 degrees pulses typically encountered in binomial spin-1/2 solvent suppression experiments, and different phase combinations may provide a high degree of flexibility with respect to quadrupolar coupling selectivity and robustness towards rf inhomogeneity. This may facilitate efficient separation of, for example, intra and extracellular (23)Na in tissues with efficient control of the excitation (or suppression) of central as well as satellite transitions through on- and off-resonance irradiation. The pulse sequences are described in terms of their analogy to binomial liquid-state NMR solvent suppression experiments and demonstrated numerically and experimentally through NMR and MRI experiments on a 7 T horizontal small-bore animal magnet system. PMID:20673642

  7. Imaging of tumor viability in lung cancer. Initial results using 23Na-MRI

    23Na-MRI has been proposed as a potential imaging biomarker for the assessment of tumor viability and the evaluation of therapy response but has not yet been evaluated in patients with lung cancer. We aimed to assess the feasibility of 23Na-MRI in patients with lung cancer. Three patients with stage IV adenocarcinoma of the lung were examined on a clinical 3 Tesla MRI system (Magnetom TimTrio, Siemens Healthcare, Erlangen, Germany). Feasibility of 23Na-MRI images was proven by comparison and fusion of 23Na-MRI with 1H-MR, CT and FDG-PET-CT images. 23Na signal intensities (SI) of tumor and cerebrospinal fluid (CSF) of the spinal canal were measured and the SI ratio in tumor and CSF was calculated. One chemonaive patient was examined before and after the initiation of combination therapy (Carboplatin, Gemcitabin, Cetuximab). All 23Na-MRI examinations were successfully completed and were of diagnostic quality. Fusion of 23Na-MRI images with 1H-MRI, CT and FDG-PET-CT was feasible in all patients and showed differences in solid and necrotic tumor areas. The mean tumor SI and the tumor/CSF SI ratio were 13.3 ± 1.8 x 103 and 0.83 ± 0.14, respectively. In necrotic tumors, as suggested by central non-FDG-avid areas, the mean tumor SI and the tumor/CSF ratio were 19.4 x 103 and 1.10, respectively. 23Na-MRI is feasible in patients with lung cancer and could provide valuable functional molecular information regarding tumor viability, and potentially treatment response. (orig.)

  8. Imaging of tumor viability in lung cancer. Initial results using {sup 23}Na-MRI

    Henzler, T.; Apfaltrer, P.; Haneder, S.; Schoenberg, S.O.; Fink, C. [University Medical Center Mannheim Heidelberg Univ., Mannheim (Germany). Inst. of Clinical Radiology and Nuclear Medicine; Konstandin, S.; Schad, L. [University Medical Center Mannheim Heidelberg Univ., Mannheim (Germany). Computer Assisted Clinical Medicine; Schmid-Bindert, G.; Manegold, C. [University Medical Center Mannheim Heidelberg Univ., Mannheim (Germany). Interdisciplinary Thoracic Oncology; Wenz, F. [University Medical Center Mannheim Heidelberg Univ., Mannheim (Germany). Dept. of Radiation Oncology

    2012-04-15

    {sup 23}Na-MRI has been proposed as a potential imaging biomarker for the assessment of tumor viability and the evaluation of therapy response but has not yet been evaluated in patients with lung cancer. We aimed to assess the feasibility of {sup 23}Na-MRI in patients with lung cancer. Three patients with stage IV adenocarcinoma of the lung were examined on a clinical 3 Tesla MRI system (Magnetom TimTrio, Siemens Healthcare, Erlangen, Germany). Feasibility of {sup 23}Na-MRI images was proven by comparison and fusion of {sup 23}Na-MRI with {sup 1}H-MR, CT and FDG-PET-CT images. {sup 23}Na signal intensities (SI) of tumor and cerebrospinal fluid (CSF) of the spinal canal were measured and the SI ratio in tumor and CSF was calculated. One chemonaive patient was examined before and after the initiation of combination therapy (Carboplatin, Gemcitabin, Cetuximab). All {sup 23}Na-MRI examinations were successfully completed and were of diagnostic quality. Fusion of {sup 23}Na-MRI images with {sup 1}H-MRI, CT and FDG-PET-CT was feasible in all patients and showed differences in solid and necrotic tumor areas. The mean tumor SI and the tumor/CSF SI ratio were 13.3 {+-} 1.8 x 103 and 0.83 {+-} 0.14, respectively. In necrotic tumors, as suggested by central non-FDG-avid areas, the mean tumor SI and the tumor/CSF ratio were 19.4 x 103 and 1.10, respectively. {sup 23}Na-MRI is feasible in patients with lung cancer and could provide valuable functional molecular information regarding tumor viability, and potentially treatment response. (orig.)

  9. Sepsis does not alter red blood cell glucose metabolism or Na+ concentration: A 2H-, 23Na-NMR study

    The effects of sepsis on intracellular Na+ concentration ([Na+]i) and glucose metabolism were examined in rat red blood cells (RBCs) by using 23Na- and 2H-nuclear magnetic resonance (NMR) spectroscopy. Sepsis was induced in 15 halothane-anesthetized female Sprague-Dawley rats by using the cecal ligation and perforation technique; 14 control rats underwent cecal manipulation without ligation. The animals were fasted for 36 h, but allowed free access to water. At 36 h postsurgery, RBCs were examined by 23Na-NMR by using dysprosium tripolyphosphate as a chemical shift reagent. Human RBCs from 17 critically ill nonseptic patients and from 7 patients who were diagnosed as septic were also examined for [Na+]i. Five rat RBC specimens had [Na+]i determined by both 23Na-NMR and inductively coupled plasma-atomic emission spectroscopy (ICP-AES). For glucose metabolism studies, RBCs from septic and control rats were suspended in modified Krebs-Henseleit buffer containing [6,6-2H2]glucose and examined by 2H-NMR. No significant differences in [Na+]i or glucose utilization were found in RBCs from control or septic rats. There were no differences in [Na+]i in the two groups of patients. The [Na+]i determined by NMR spectroscopy agreed closely with measurements using ICP-AES and establish that 100% of the [Na+]i of the RBC is visible by NMR. Glucose measurements determined by 2H-NMR correlated closely (correlation coefficient = 0.93) with enzymatic analysis. These studies showed no evidence that sepsis disturbed RBC membrane function or metabolism

  10. 23Na NMR and FT-IR studies of sodium complexes with the ionophore lasalocid in solution

    Schroeder, G.; Gierczyk, B.; Brzezinski, B.; Różalski, B.; Bartl, F.; Zundel, G.; Sośnicki, J.; Grech, E.

    2000-01-01

    Lasalocid forms 1:1 or 2:2 complexes with sodium ions. The process of complexation was studied in different solvents at various temperatures by 23Na NMR. The formation constants and Δ G values were determined. The nature of the complex between lasalocid and Na + ions was also studied by FT-IR spectroscopy. In chloroform, a 2:2 complex of lasalocid and Na + ions is formed. A continuous absorption is observed in the far FT-IR spectrum of this complex. It indicates the large Na + polarizability due to fast fluctuations of the Na + ions in multiminima potentials, in the dimeric structure.

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

    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. PMID:15589724

  12. 2D 23Na-23Na DQ/MAS NMR spectroscopy: interface induced clustering and immobilization of sodium ions in nanostructured aluminosilicates

    Kobera, Libor; Urbanová, Martina; Brus, Jiří

    International Society of Magnetic Resonance, 2015. P 112. [Alpine Conference on Solid-State NMR /9./. 13.09.2015-17.09.2015, Chamonix Mont-Blanc] R&D Projects: GA ČR(CZ) GA13-24155S Institutional support: RVO:61389013 Keywords : MAS NMR * geopolymers * zeolites Subject RIV: JN - Civil Engineering

  13. Positive and Negative Mixed Glass Former Effects in Sodium Borosilicate and Borophosphate Glasses Studied by (23)Na NMR.

    Storek, Michael; Adjei-Acheamfour, Mischa; Christensen, Randilynn; Martin, Steve W; Böhmer, Roland

    2016-05-19

    Glasses with varying compositions of constituent network formers but constant mobile ion content can display minima or maxima in their ion transport which are known as the negative or the positive mixed glass former effect, MGFE, respectively. Various nuclear magnetic resonance (NMR) techniques are used to probe the ion hopping dynamics via the (23)Na nucleus on the microscopic level, and the results are compared with those from conductivity spectroscopy, which are more sensitive to the macroscopic charge carrier mobility. In this way, the current work examines two series of sodium borosilicate and sodium borophosphate glasses that display positive and negative MGFEs, respectively, in the composition dependence of their Na(+) ion conductivities at intermediate compositions of boron oxide substitution for silicon oxide and phosphorus oxide, respectively. A coherent theoretical analysis is performed for these glasses which jointly captures the results from measurements of spin relaxation and central-transition line shapes. On this basis and including new information from (11)B magic-angle spinning NMR regarding the speciation in the sodium borosilicate glasses, a comparison is carried out with predictions from theoretical approaches, notably from the network unit trap model. This comparison yields detailed insights into how a variation of the boron oxide content and thus of either the population of silicon or phosphorus containing network-forming units with different charge-trapping capabilities leads to nonlinear changes of the microscopic transport properties. PMID:27092392

  14. Functional MRI 2.0. {sup 23}Na and CEST imaging; Funktionelle MRT 2.0. {sup 23}Na- und CEST-Bildgebung

    Haneder, S. [Uniklinik Koeln, Institut fuer Diagnostische und Interventionelle Radiologie, Koeln (Germany); Konstandin, S. [Universitaet Bremen, MR-Bildgebung und -Spektroskopie, Fachbereich 1 (Physik/Elektrotechnik), Bremen (Germany); Fraunhofer MEVIS, Institut fuer Bildgestuetzte Medizin, Bremen (Germany)

    2016-02-15

    In recent years the purely morphological magnetic resonance imaging (MRI) has been increasingly flanked by so-called functional imaging methods, such as diffusion-weighted imaging (DWI), to obtain additional information about tissue or pathological processes. This review article presents two MR techniques that can detect physiological processes in the human body. In contrast to all other functional MR imaging techniques, which are based on hydrogen protons, the first technique presented (X-nuclei imaging) uses the spin of other nuclei for imaging and consequently allows a completely different insight into the human body. In this article X-nuclei imaging is focused on sodium ({sup 23}Na) MRI because it currently represents the main focus of research in this field due to the favorable MR properties of sodium. The second MR technique presented is the relatively novel chemical exchange saturation transfer (CEST) imaging that can detect exchange processes between protons in metabolites and protons in free water. The first part of this article introduces the basic technical principles, problems, advantages and disadvantages of these two MR techniques, whereas the second part highlights the potential clinical applications. Examples illustrate several potential applications in neuroimaging (e. g. stroke and tumors), musculoskeletal imaging (e. g. osteoarthritis and degenerative processes) and abdominal imaging (e. g. kidneys and hypertension). Both techniques inherently contain an incredible potential for future imaging but are still on the threshold of clinical use and are currently under evaluation in many university centers. (orig.) [German] In den letzten Jahren wird die reine morphologische Magnetresonanztomographie (MRT) zunehmend von sogenannten funktionellen Bildgebungsmethoden, wie der diffusionsgewichteten Bildgebung (''diffusion-weighted imaging'', DWI), flankiert, um zusaetzliche Informationen ueber Gewebe oder pathologische Prozesse zu

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

    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.

  16. 1H and 23Na MAS NMR spectroscopy of cationic species in CO2 selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    Arévalo-Hidalgo, Ana G.; Dugar, Sneha; Fu, Riqiang; Hernández-Maldonado, Arturo J.

    2012-07-01

    The location of extraframework cations in Sr2+ and Ba2+ ion-exchanged SAPO-34 was estimated by means of 1H and 23Na 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 CO2 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.

  17. 1H and 23Na MAS NMR spectroscopy of cationic species in CO2 selective alkaline earth metal porous silicoaluminophosphates prepared via liquid and solid state ion exchange

    The location of extraframework cations in Sr2+ and Ba2+ ion-exchanged SAPO-34 was estimated by means of 1H and 23Na 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 CO2 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 CO2 adsorption performance. Highlights: ► Location of extraframework Sr2+ or Ba2+ cations was estimated by means of 1H and 23Na MAS NMR. ► Level of Sr2+ or Ba2+ ion exchange was limited by the presence of protons and sodium cations. ► Presence of ammonium cations in the supercages facilitated the exchange. ► Sr2+ and Ba2+ ion exchanged SAPOs are outstanding CO2 adsorbents.

  18. Quantitative sodium MR imaging of native versus transplanted kidneys using a dual-tuned proton/sodium (1H/23Na) coil: initial experience

    To compare sodium (23Na) characteristics between native and transplanted kidneys using dual-tuned proton (1H)/sodium MRI. Six healthy volunteers and six renal transplant patients (3 normal function, 3 acute allograft rejection) were included. Proton/sodium MRI was obtained at 3 T using a dual-tuned coil. Signal to noise ratio (SNR), sodium concentration ([23Na]) and cortico-medullary sodium gradient (CMSG) were measured. Reproducibility of [23Na] measurement was also tested. SNR, [23Na] and CMSG of the native and transplanted kidneys were compared. Proton and sodium images of kidneys were successfully acquired. SNR and [23Na] measurements of the native kidneys were reproducible at two different sessions. [23Na] and CMSG of the transplanted kidneys was significantly lower than those of the native kidneys: 153.5 ± 11.9 vs. 192.9 ± 9.6 mM (P = 0.002) and 8.9 ± 1.5 vs. 10.5 ± 0.9 mM/mm (P = 0.041), respectively. [23Na] and CMSG of the transplanted kidneys with normal function vs. acute rejection were not statistically different. Sodium quantification of kidneys was reliably performed using proton/sodium MRI. [23Na] and CMSG of the transplanted kidneys were lower than those of the native kidneys, but without a statistically significant difference between patients with or without renal allograft rejection. (orig.)

  19. Quantitative sodium MR imaging of native versus transplanted kidneys using a dual-tuned proton/sodium ({sup 1}H/{sup 23}Na) coil: initial experience

    Moon, Chan Hong; Furlan, Alessandro [University of Pittsburgh, Department of Radiology, Pittsburgh, PA (United States); Kim, Jung-Hwan; Bae, Kyongtae Ty [University of Pittsburgh, Department of Radiology, Pittsburgh, PA (United States); University of Pittsburgh, Department of Bioengineering, Pittsburgh, PA (United States); Zhao, Tiejun [MR R and D Collaborations, Siemens Medical Solutions USA, Inc, Pittsburgh, PA (United States); Shapiro, Ron [Thomas E. Starzl Transplantation Institute, Department of Surgery, Pittsburgh, PA (United States)

    2014-06-15

    To compare sodium ({sup 23}Na) characteristics between native and transplanted kidneys using dual-tuned proton ({sup 1}H)/sodium MRI. Six healthy volunteers and six renal transplant patients (3 normal function, 3 acute allograft rejection) were included. Proton/sodium MRI was obtained at 3 T using a dual-tuned coil. Signal to noise ratio (SNR), sodium concentration ([{sup 23}Na]) and cortico-medullary sodium gradient (CMSG) were measured. Reproducibility of [{sup 23}Na] measurement was also tested. SNR, [{sup 23}Na] and CMSG of the native and transplanted kidneys were compared. Proton and sodium images of kidneys were successfully acquired. SNR and [{sup 23}Na] measurements of the native kidneys were reproducible at two different sessions. [{sup 23}Na] and CMSG of the transplanted kidneys was significantly lower than those of the native kidneys: 153.5 ± 11.9 vs. 192.9 ± 9.6 mM (P = 0.002) and 8.9 ± 1.5 vs. 10.5 ± 0.9 mM/mm (P = 0.041), respectively. [{sup 23}Na] and CMSG of the transplanted kidneys with normal function vs. acute rejection were not statistically different. Sodium quantification of kidneys was reliably performed using proton/sodium MRI. [{sup 23}Na] and CMSG of the transplanted kidneys were lower than those of the native kidneys, but without a statistically significant difference between patients with or without renal allograft rejection. (orig.)

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

    Keltner, J.R.

    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 ({sup 23}Na) 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 {sup 23}Na signals is complicated by the presence of single-exponential relaxation {sup 23}Na signals. Multiple-quantum filters may be used to selectively image biexponential relaxation {sup 23}Na signals since these filters suppress single-exponential relaxation {sup 23}Na signals. In this thesis, the typical repetition times (200--300 ms) used for in vivo multiple-quantum filtered {sup 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 {sup 23}Na 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 {sup 23}Na in the 4% agarose gel were similar to in vivo {sup 23}Na relaxation times.

  1. Scan time reduction in {sup 23}Na-Magnetic Resonance Imaging using the chemical shift imaging sequence. Evaluation of an iterative reconstruction method

    Weingaertner, Sebastian; Konstandin, Simon; Schad, Lothar R. [Heidelberg Univ., Mannheim (Germany). Computer Assisted Clinical Medicine; Wetterling, Friedrich [Heidelberg Univ., Mannheim (Germany). Computer Assisted Clinical Medicine; Dublin Univ. (Ireland) Trinity Inst. of Neuroscience; Fatar, Marc [Heidelberg Univ., Mannheim (Germany). Dept. of Neurology; Neumaier-Probst, Eva [Heidelberg Univ., Mannheim (Germany). Dept. of Neuroradiology

    2015-07-01

    To evaluate potential scan time reduction in {sup 23}Na-Magnetic Resonance Imaging with the chemical shift imaging sequence (CSI) using undersampled data of high-quality datasets, reconstructed with an iterative constrained reconstruction, compared to reduced resolution or reduced signal-to-noise ratio. CSI {sup 23}Na-images were retrospectively undersampled and reconstructed with a constrained reconstruction scheme. The results were compared to conventional methods of scan time reduction. The constrained reconstruction scheme used a phase constraint and a finite object support, which was extracted from a spatially registered {sup 1}H-image acquired with a double-tuned coil. The methods were evaluated using numerical simulations, phantom images and in-vivo images of a healthy volunteer and a patient who suffered from cerebral ischemic stroke. The constrained reconstruction scheme showed improved image quality compared to a decreased number of averages, images with decreased resolution or circular undersampling with weighted averaging for any undersampling factor. Brain images of a stroke patient, which were reconstructed from three-fold undersampled k-space data, resulted in only minor differences from the original image (normalized root means square error < 12%) and an almost identical delineation of the stroke region (mismatch < 6%). The acquisition of undersampled {sup 23}Na-CSI images enables up to three-fold scan time reduction with improved image quality compared to conventional methods of scan time saving.

  2. Study of the 23Na EFG (Electrostatic Field Gradient) tensor on single crystals of Na2S.9H2O by wideline NMR

    The quadrupole coupling constant |e2qQ/n| if 23Na has been determined by measuring single crystals of Na2S.9H2O at room temperature. A value of 687.5 +- 1.2 kHz was found. The asymmetry parameter eta = (qsub(x'x') - qsub(y'y')) / qsub(z'z') of the efg-tensor is zero, there is axial symmetry. The principle axis of the efg-tensor runs parallel to the main crystallographic axis c, the value of the main component of the efg-tensor in c-direction is 171.875 +- 0.6 kHz. The longitudinal relaxation time T1 has been evaluated as 1.8 s. On this account, the mean distance between two Na-atoms has been determined by measuring the splitting of the central line due to dipole-dipole interaction. The Na-Na distance was found with 0.36 +- 0.007 nm. This value is in good agreement with results from neutron diffraction studies. It was not possible to determine direction and length of hydrogen bonds by NMR-results. A method of growing single crystals of Na2S.9H2O of demanded size and purity has been described. Constructional details and technical data of a self-made wideline-NMR-spectrometer are added in an appendix. (Author)

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

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

    2003-09-01

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

  4. NMR imaging technique

    This invention provides a method that can be adapted to existing NMR tomographic scanners of producing spectra of any given point in the image of the specimen slice, the intensity distribution of a selected resonance within an area of the image of the specimen slice, or an entire NMR spectrum of the given area. The method comprises acquiring n projections of the specimen slice, where n is greater than 1. Each of the projections is then shifted by Δ f for the point (the frequency offset of the signal arising from the point, from the true chemical shift)

  5. {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

    Arevalo-Hidalgo, Ana G. [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico); Dugar, Sneha; Fu, Riqiang [National High Magnetic Field Laboratory, Florida State University, Tallahassee, FL 32310 (United States); Hernandez-Maldonado, Arturo J., E-mail: arturoj.hernandez@upr.edu [Department of Chemical Engineering, University of Puerto Rico-Mayagueez Campus, Mayagueez, PR 00681-9000 (Puerto Rico)

    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.

  6. Measurement of thermal neutron distribution from a medical cyclotron using auto radiography with 23Na activation detector and medical imaging plate

    When the generated activity of 18F was 100 GBq, about 1015 neutrons are emitted by the nuclear reaction in target of the medical cyclotron. These neutrons induce activity in the cyclotron and the indoor concrete of the cyclotron room, and will contribute to the exposure of the staff maintaining the cyclotron. This paper describes the basic characteristics of the thermal neutron measurement method of 23Na activation detector by auto radiography (ARG) using the medical imaging plate (IP). Simple linear regression lines were able to describe the relationship between the scanner unit and the activity of 24Na. The optimal S value and exposure time of ARG method was found to be 1,000 and 24 hours. This method that uses the salt instead of gold foil allows hospitals to measure the thermal neutron fluencies easily at many locations for the radiation safety management of routine work and the decommissioning of the cyclotron facility. (author)

  7. Low-spin states of 23Na

    A study of 23Na via the 22Ne(p,γ)23Na and 23Na(γ,γ)23Na reactions is presented. Only a limited number of resonances has been studied, selected on the basis of strong excitation of the lowest levels of which the spin was unknown. As a result the spins are now known of all levels of 23Na with excitation energies up to 7 MeV, except for a few high-spin states which are too weakly excited in the decay of the known 22Ne(p,γ) resonances. The mean lifetimes of the 23Na levels at 4.43 and 7.89 MeV were found to be 350±70 and 220±17 attoseconds (1 attosecond = 10-18 seconds) respectively. 97 refs.; 22 figs.; 12 tabs

  8. NMR imaging of the brain: initial impressions

    An NMR imaging system designed and built by Thorn-EMI Ltd was installed at Hammersmith Hospital in March 1981. In the first year of operation 180 patients and 40 volunteers have had cranial examinations and initial impressions bases on this experience are presented. Patients with a wide variety of neurological diseases have been studied to provide a basis for diagnostic interpretation, to define distinctive features, and to evaluate different types of scanning sequences. NMR imaging appears to be of considerable value in neurological diagnosis and has a number of advantages over CT. The detailed evaluation of NMR imaging will require much more work but the initial results are very promising

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

    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

  10. 3D Reconstruction of NMR Images

    Peter Izak; Milan Smetana; Libor Hargas; Miroslav Hrianka; Pavol Spanik

    2007-01-01

    This paper introduces experiment of 3D reconstruction NMR images scanned from magnetic resonance device. There are described methods which can be used for 3D reconstruction magnetic resonance images in biomedical application. The main idea is based on marching cubes algorithm. For this task was chosen sophistication method by program Vision Assistant, which is a part of program LabVIEW.

  11. BOOK REVIEW: NMR Imaging of Materials

    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

  12. 23Na-nuclear magnetic resonance investigation of gramicidin-induced ion transport through membranes under equilibrium conditions.

    Buster, D C; Hinton, J F; Millett, F S; Shungu, D C

    1988-01-01

    A technique for investigating the gramicidin-facilitated transport of Na+ ions across lipid bilayers of large unilamellar vesicles under the condition of ionic equilibrium has been developed using a combination of heat incubation of the gramicidin with the vesicles and 23Na-nuclear magnetic resonance (NMR) spectroscopy. Isolation of the two 23Na-NMR signals from the intra- and extravesicular Na+ with the shift reagent, dysprosium (III) tripolyphosphate, allows the equilibrium flux of Na+ thro...

  13. Some exercises in quantitative NMR imaging

    The articles represented in this thesis result from a series of investigations that evaluate the potential of NMR imaging as a quantitative research tool. In the first article the possible use of proton spin-lattice relaxation time T1 in tissue characterization, tumor recognition and monitoring tissue response to radiotherapy is explored. The next article addresses the question whether water proton spin-lattice relaxation curves of biological tissues are adequately described by a single time constant T1, and analyzes the implications of multi-exponentiality for quantitative NMR imaging. In the third article the use of NMR imaging as a quantitative research tool is discussed on the basis of phantom experiments. The fourth article describes a method which enables unambiguous retrieval of sign information in a set of magnetic resonance images of the inversion recovery type. The next article shows how this method can be adapted to allow accurate calculation of T1 pictures on a pixel-by-pixel basis. The sixth article, finally, describes a simulation procedure which enables a straightforward determination of NMR imaging pulse sequence parameters for optimal tissue contrast. (orig.)

  14. Multispectral dual isotope and NMR image analysis

    Dual isotope scintigraphy and nuclear magnetic resonance imaging produce image data that is intrinsically multispectral. That is multiple images of the same anatomic region are generated with different gray scale distribution and morphologic content that is largely redundant. Image processing technology, originally developed by NASA for satellite imaging, is available for multispectral analysis. These methods have been applied to provide tissue characterization. Tissue specific information encoded in the grapy scale data from dual isotope and NMR studies may be extracted using multispectral pattern recognition methods. The authors used table lookup minimum distance, maximum likelihood and cluster analysis techniques with data sets from Ga-67 / Tc-99m, 1-131 labeled antibodies / Tc-99m, Tc-99m perfusion / Xe-133 ventilation, and NMR studies. The results show; tissue characteristic signatures exist in dual isotope and NMR imaging, and these spectral signatures are identifiable using multispectral image analysis and provide tissue classification maps with scatter diagrams that facilitate interpretation and assist in elucidating subtle changes

  15. Measurement and Calculation of Relaxation Time T2 and diffusion of Gel Electrolytes Based on the NaClO4 Inorganic Salt During Polymerization by NMR Method with Focusing on 23Na and 1H Nuclei

    Kořínek, Radim; Bartušek, Karel; Vondrák, I.; Musil, M.

    Bratislava : Slovak Academy of Sciences, 2011, s. 131-134. ISBN 978-80-969672-4-7. [International Conference on Measurement 2011 /8./. Smolenice (SK), 27.04.2011-30.04.2011] R&D Projects: GA MŠk ED0017/01/01 Institutional research plan: CEZ:AV0Z20650511 Keywords : T2 relaxation * diffusion * NMR * measurement Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

  16. 3D Reconstruction of NMR Images

    Peter Izak

    2007-01-01

    Full Text Available This paper introduces experiment of 3D reconstruction NMR images scanned from magnetic resonance device. There are described methods which can be used for 3D reconstruction magnetic resonance images in biomedical application. The main idea is based on marching cubes algorithm. For this task was chosen sophistication method by program Vision Assistant, which is a part of program LabVIEW.

  17. Stroke, evolution of NMR imaging characteristics

    This study evaluates the NMR imaging characteristics of stroke and temporal evolution of these features. Patients with acute stroke clinically had NMR imaging (prototype 0.15T resistive imager, Technicare, Inc.) acutely (n=37), at approximately 2 weeks (n=31) and 3 months (n=10). Patients with old (> 1 yr.) stroke were also imaged (n=7). Partial saturation sequences were used employing echo time (T/sub E/) of 30, 60 and 120 msec, as well as inversion recovery (TR) sequences. Partial saturation images displayed a homogeneous increase in signal at lesion sites in both bland and hemorrhagic infarcts, reflection prolongation of spin-spin relaxation (T/sub 2/) due to increased tissue water content, blood and edema being indistinguishable. IR images recovered low signal from bland infarcts due to prolongation of spinlattice relaxation (T/sub 1/) by tissue edema, hemorrhagic lesions and short (T/sub 1/) centrally (blood) with moderate or increased IR signal, and low signal peripherally (edema). On follow-up IR imaging, hematomas developed low signal centres, possibly reflection cavitation, with short T/sub 2/ rims, possibly indicating the presence of iron-laden macrophages. In 2 patients with hemorrhagic infarcts an area of increased signal (prolonged T/sub 2/) was seen on initial partial saturation images in the homologous portion of the other hemisphere (normal by CT). This may reflect a local alteration of blood volume or velocity. In 5 patients with old infarcts, a rim of prolonged T/sub 2/ was seen at the periphery of old lesions, possibly reflecting a local chronic increase in extravascular or intravascular water, slowing of blood velocity, or a zone of neuronal dropout. Detailed pathophysiologic correlation is required to understand the basis of these NMR findings

  18. Stroke, evolution of NMR imaging characteristics

    Nicholson, R.L.; Carr, T.; Kertesz, A.; Black, S.; Cooper, P.; Stewart, S.

    1984-01-01

    This study evaluates the NMR imaging characteristics of stroke and temporal evolution of these features. Patients with acute stroke clinically had NMR imaging (prototype 0.15T resistive imager, Technicare, Inc.) acutely (n=37), at approximately 2 weeks (n=31) and 3 months (n=10). Patients with old (> 1 yr.) stroke were also imaged (n=7). Partial saturation sequences were used employing echo time (T/sub E/) of 30, 60 and 120 msec, as well as inversion recovery (TR) sequences. Partial saturation images displayed a homogeneous increase in signal at lesion sites in both bland and hemorrhagic infarcts, reflection prolongation of spin-spin relaxation (T/sub 2/) due to increased tissue water content, blood and edema being indistinguishable. IR images recovered low signal from bland infarcts due to prolongation of spinlattice relaxation (T/sub 1/) by tissue edema, hemorrhagic lesions and short (T/sub 1/) centrally (blood) with moderate or increased IR signal, and low signal peripherally (edema). On follow-up IR imaging, hematomas developed low signal centres, possibly reflection cavitation, with short T/sub 2/ rims, possibly indicating the presence of iron-laden macrophages. In 2 patients with hemorrhagic infarcts an area of increased signal (prolonged T/sub 2/) was seen on initial partial saturation images in the homologous portion of the other hemisphere (normal by CT). This may reflect a local alteration of blood volume or velocity. In 5 patients with old infarcts, a rim of prolonged T/sub 2/ was seen at the periphery of old lesions, possibly reflecting a local chronic increase in extravascular or intravascular water, slowing of blood velocity, or a zone of neuronal dropout. Detailed pathophysiologic correlation is required to understand the basis of these NMR findings.

  19. Image reconstruction by NMR Fresnel diffractive imaging technique

    A new approach to MR angiography, the NMR diffractive imaging technique, has been investigated. The expression for NMR signals obtained in the NMR diffractive imaging technique is similar to the equation for Fresnel diffraction in light waves or sound waves. Therefore, it is possible to reconstruct an image focusing on any plane in the depth direction from data scanned two-dimensionally by changing an imaging parameter in the reconstruction step. To support this imaging technique, a coil system composed of six coils was designed. Experiments were performed using an ultra-low-field MRI scanner to acquire two-dimensional data in the proposed technique. Even though blurred images outside the focus are superimposed on the image in the focal plane, the three-dimensional distribution of the object can be recognized by moving the focal plane in the depth direction. To obtain supplemental information for the object, acquiring images from different angles is helpful for recognizing the spatial distribution of the object more precisely. Although the image obtained contains blurred images outside the focus the proposed imaging technique is expected to be useful in MR fast angiography. (author)

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

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

  1. Current progress and future prospects in NMR imaging

    Future prospects in NMR imaging will depend not only on the extent to which images of diagnostic quality can be obtained in reasonable short times, but, more importantly, on whether the whole range of NMR measurements and techniques can be applied to achieve a useful degree of tissue characterization and the measurement of blood flow in vivo. (orig./VJ)

  2. Holographic reconstruction of NMR images in Fresnel transform technique

    The free induction signal in the NMR Fresnel transform imaging technique is expressed by a similar equation to that of the Fresnel diffraction equation in light. It is possible to record NMR signals on a photographic film as a hologram in the same manner as optical holography. Since the dynamic range of the signal in the Fresnel transform technique is small, image information can be recorded on a hologram at a high efficiency. Very clear images are reconstructed optically from the NMR hologram in many experiments. Image brightness are improved by using a compound hologram in which several same holograms are arranged periodically. (author)

  3. Laundering and Deinking Applications of 1H NMR Imaging

    Tutunjian, P. N.; Borchardt, J. K.; Prieto, N. E.; Raney, K. H.; Ferris, J. A.

    One-dimensional 1H NMR imaging techniques are used to visualize oil removal from fabrics and paper fibers immersed in aqueous solutions of nonionic detergents. The method provides a unique approach to the study of oil-removal kinetics in nonionic detergent systems where traditional optical techniques fail due to solution turbidity. The only requirement of the NMR experiment is the use of deuterated water in order to selectively image the hydrocarbon phase. Preliminary applications to laundering and paper deinking are discussed.

  4. NMR imaging of locomotor apparatus in sporting pathology

    NMR imaging is, from the whole of imaging applicable to the locomotor apparatus, this one which gives an image the most global possible. We took two examples: the knee with kneecap, tendons and cartilages, and an osseous lesion of ankle-bone. 4 figs

  5. NMR imaging and cryoporometry of swelling clays

    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

  6. Nuclear magnetic resonance (NMR) imaging in Huntington's disease

    Three patients with Huntington's disease (including two siblings) were evaluated with NMR imaging. Caudate atrophy was seen by inversion recovery (IR) 1000/300 scans in Case I, by IR 1000/300 scans in Case 2, and by IR 1000/300, IR 1000/350, spin-echo (SE) 1080/80, and SE 500/40 scans in Case 3. NMR imaging is considered to be of value in the diagnosis of central nervous diseases by combining several imaging techniques and pulse sequences. (Namekawa, K.)

  7. NMR-based diffusion lattice imaging.

    Laun, Frederik Bernd; Müller, Lars; Kuder, Tristan Anselm

    2016-03-01

    Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g., about cell membranes. While it has been shown in recent articles that these experiments can be used to determine the shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open well-connected systems. In this theoretical work, it is shown that the full structure information of connected periodic systems is accessible. To this end, the so-called "SEquential Rephasing by Pulsed field-gradient Encoding N Time intervals" (SERPENT) sequence is used, which employs several diffusion encoding gradient pulses with different amplitudes. Two two-dimensional solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a rectangular lattice of isosceles triangles. PMID:27078384

  8. NMR-Based Diffusion Lattice Imaging

    Laun, Frederik Bernd

    2013-01-01

    Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g. about cell membranes. While it has been shown in recent articles, that these experiments can be used to determine the exact shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open systems. In this theoretical work, we show that the full structure information of periodic open systems is accessible. To this end, the so-called 'SEquential Rephasing by Pulsed field-gradient Encoding N Time-intervals' (SERPENT) sequence is used, which employs several diffusion weighting gradient pulses with different amplitudes. The structural information is obtained by an iterative technique relying on a Gaussian envelope model of the diffusion propagator. Two solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a cubic lattice of triangles.

  9. NMR-based diffusion lattice imaging

    Laun, Frederik Bernd; Müller, Lars; Kuder, Tristan Anselm

    2016-03-01

    Nuclear magnetic resonance (NMR) diffusion experiments are widely employed as they yield information about structures hindering the diffusion process, e.g., about cell membranes. While it has been shown in recent articles that these experiments can be used to determine the shape of closed pores averaged over a volume of interest, it is still an open question how much information can be gained in open well-connected systems. In this theoretical work, it is shown that the full structure information of connected periodic systems is accessible. To this end, the so-called "SEquential Rephasing by Pulsed field-gradient Encoding N Time intervals" (SERPENT) sequence is used, which employs several diffusion encoding gradient pulses with different amplitudes. Two two-dimensional solid matrices that are surrounded by an NMR-visible medium are considered: a hexagonal lattice of cylinders and a rectangular lattice of isosceles triangles.

  10. NMR imaging of fluid dynamics in reservoir core.

    Baldwin, B A; Yamanashi, W S

    1988-01-01

    A medical NMR imaging instrument has been modified to image water and oil in reservoir rocks by the construction of a new receiving coil. Both oil and water inside the core produced readily detectable proton NMR signals, while the rock matrix produced no signal. Because of similar T2 NMR relaxation times, the water was doped with a paramagnetic ion, Mn+2, to reduce its T2 relaxation time. This procedure enhanced the separation between the oil and water phases in the resulting images. Sequential measurements, as water imbibed into one end and oil was expelled from the other end of a core plug, produced a series of images which showed the dynamics of the fluids. For water-wet Berea Sandstone a flood front was readily observed, but some of the oil was apparently left behind in small, isolated pockets which were larger than individual pores. After several additional pore volumes of water flowed through the plug the NMR image indicated a homogeneous distribution of oil. The amount of residual oil, as determined from the ratio of NMR intensities, closely approximated the residual oil saturation of fully flooded Berea samples measured by Dean-Stark extraction. A Berea sandstone core treated to make it partially oil-wet, did not show a definitive flood front, but appeared to channel the water around the perimeter of the core plug. The relative ease with which these images were made indicates that NMR imaging can be a useful technique to follow the dynamics of oil and water through a core plug for a variety of production processes. PMID:3226235

  11. {sup 23}Na-MRI of recurrent glioblastoma multiforme after intraoperative radiotherapy: technical note

    Haneder, Stefan; Buesing, Karen A.; Schoenberg, Stefan O.; Ong, Melissa M. [Heidelberg University, Institute of Clinical Radiology and Nuclear Medicine, University Medical Center Mannheim, Medical Faculty Mannheim, Mannheim (Germany); Giordano, Frank A.; Wenz, Frederik [University of Heidelberg, Department of Radiation Oncology, University Medical Center Mannheim, Mannheim (Germany); Konstandin, Simon; Schad, Lothar R. [Heidelberg University, Computer Assisted Clinical Medicine, Mannheim (Germany); Brehmer, Stefanie; Schmiedek, Peter [Heidelberg University, Department of Neurosurgery, University Medical Center Mannheim, Mannheim (Germany)

    2015-03-01

    We report the first case of an intraoperative radiotherapy (IORT) in a patient with recurrent glioblastoma multiforme (GBM) who was followed up with a novel magnetic resonance imaging (MRI) method - {sup 23}Na-MRI - in comparison to a standard contrast-enhanced {sup 1}H-MRI and {sup 18}F-FET-PET. A 56-year-old female patient with diagnosed GBM in July 2012 underwent tumor resection, radiochemotherapy, and three cycles of chemotherapy. After a relapse, 6 months after the initial diagnosis, an IORT was recommended which was performed in March 2013 using the INTRABEAM system (Carl Zeiss Meditec AG, Germany) with a 3-cm applicator and a surface dose of 20 Gy. Early post-operative contrast-enhanced and 1-month follow-up {sup 1}H-MRI and a {sup 18}F-FET-PET were performed. In addition, an IRB-approved {sup 23}Na-MRI was performed on a 3.0-T MR scanner (MAGNETOM TimTrio, Siemens Healthcare, Germany). After re-surgery and IORT in March 2013, only a faint contrast enhancement but considerable surrounding edema was visible at the medio-posterior resection margins. In April 2013, new and progressive contrast enhancement, edema, {sup 23}Na content, and increased uptake in the {sup 18}F-FET-PET were visible, indicating tumor recurrence. Increased sodium content within the area of contrast enhancement was found in the {sup 23}Na-MRI, but also exceeding this area, very similar to the increased uptake depicted in the {sup 18}F-FET-PET. The clearly delineable zone of edema in both examinations exhibits a lower {sup 23}Na content compared to areas with suspected proliferating tumor tissue. {sup 23}Na-MRI provided similar information in the suspicious area compared to {sup 18}F-FET-PET, exceeding conventional {sup 1}H-MRI. Still, {sup 23}Na-MRI remains an investigational technique, which is worth to be further evaluated. (orig.)

  12. NMR - from basic physics to images of the human body

    Nuclear magnetic resonance (NMR) is a remarkable phenomenon which involves the exchange of very weak radio frequency radiation between atomic nuclei and a sensitive detecting apparatus. It was originally regarded as a rather esoteric effect of great theoretical interest, but has since proved to have an amazing range of applications over many scientific disciplines, including nuclear physics, solid state physics, all branches of chemistry, biochemistry, physiology and most recently in medical diagnosis. In this Discourse the principles of NMR and trace briefly the history of its applications are examined and illustrated. Headings are: early history; nuclear resonance; relaxation time; the chemical shift; spin-spin coupling (NMR spectra); chemical shifts in biological tissue; NMR imaging; conclusions. (author)

  13. NMR imaging of the facial skull and neck

    NMR imaging has proved a superior method for the diagnosis of pathological processes in the soft parts of the facial skull and neck, but it is less efficient in the imaging of alterations in the bone tissue as compared to CT. By the use of gadolinium-DTPA, additional information can be obtained on perifocal edemas and irrigation conditions in the area of pathological processes. (orig.)

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

    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

  15. Real-time movie image enhancement in NMR

    Clinical NMR motion picture (movie) images can now be produced routinely in real-time by ultra-high-speed echo-planar imaging (EPI). The single-shot image quality depends on both pixel resolution and signal-to-noise ratio (S/N), both factors being intertradeable. If image S/N is sacrificed rather than resolution, it is shown that S/N may be greatly enhanced subsequently without vitiating spatial resolution or foregoing real motional effects when the object motion is periodic. This is achieved by a Fourier filtering process. Experimental results are presented which demonstrate the technique for a normal functioning heart. (author)

  16. Dose-dependent changes in renal {sup 1}H-/{sup 23}Na MRI after adjuvant radiochemotherapy for gastric cancer

    Haneder, Stefan [University Medical Centre Mannheim, University of Heidelberg, Institute of Clinical Radiology and Nuclear Medicine, Mannheim (Germany); University Hospital of Cologne, Department of Radiology, Cologne (Germany); Budjan, Johannes Michael; Schoenberg, Stefan Oswald [University Medical Centre Mannheim, University of Heidelberg, Institute of Clinical Radiology and Nuclear Medicine, Mannheim (Germany); Konstandin, Simon; Schad, Lothar Rudi [University Medical Centre Mannheim, University of Heidelberg, Computer Assisted Clinical Medicine, Mannheim (Germany); Hofheinz, Ralf Dieter [University Medical Centre Mannheim, University of Heidelberg, III. Department of Internal Medicine, Mannheim (Germany); Gramlich, Veronika; Wenz, Frederik; Lohr, Frank; Boda-Heggemann, Judit [University Medical Centre Mannheim, Medical Faculty Mannheim - University of Heidelberg, Department of Radiation Oncology, Mannheim (Germany)

    2015-04-01

    Combined radiochemotherapy (RCT) for gastric cancer with three-dimensional conformal radiotherapy (3D-CRT) results in ablative doses to the upper left kidney, while image-guided intensity-modulated radiotherapy (IG-IMRT) allows kidney sparing despite improved target coverage. Renal function in long-term gastric cancer survivors was evaluated with 3T functional magnetic resonance imaging (MRI) including diffusion-weighted imaging (DWI) and {sup 23}Na imaging. Five healthy volunteers and 13 patients after radiotherapy were included: 11 x IG-IMRT; 1 x 3D-CRT; 1 x ''positive control'' with stereotactic body radiotherapy (SBRT) of a metastasis between the spleen/left kidney. Radiation doses were documented for the upper/middle/lower kidney subvolumes. Late toxicity was evaluated based on CTC criteria, questionnaire, and creatinine values. Morphological sequences, DWI images, and {sup 23}Na images were acquired using a {sup 1}H/{sup 23}Na-tuned body-coil before/after intravenous water load (WL). Statistics for [{sup 23}Na] (concentration) and apparent diffusion coefficient (ADC) values were calculated for upper/middle/lower renal subvolumes. Corticomedullary [{sup 23}Na] gradients and [{sup 23}Na] differences after WL were determined. No major morphological alteration was detected in any patient. Minor scars were observed in the cranial subvolume of the left kidney of the 3D-CRT and the whole kidney of the control SBRT patient. All participants presented a corticomedullary [{sup 23}Na] gradient. After WL, a significant physiological [{sup 23}Na] gradient decrease (p < 0.001) was observed in all HV and IG-IMRT patients. In the cranial left kidney of the 3D-CRT patient and the positive control SBRT patient, the decrease was nonsignificant (p = 0.01, p = 0.02). ADC values were altered nonsignificantly in all renal subvolumes (all participants). Renal subvolumes with doses ≥ 35 Gy showed a reduced change of the [{sup 23}Na] gradient after WL (p = 0

  17. Mobile sensor for high resolution NMR spectroscopy and imaging

    Danieli, Ernesto; Mauler, Jörg; Perlo, Juan; Blümich, Bernhard; Casanova, Federico

    2009-05-01

    In this work we describe the construction of a mobile NMR tomograph with a highly homogeneous magnetic field. Fast MRI techniques as well as NMR spectroscopy measurements were carried out. The magnet is based on a Halbach array built from identical permanent magnet blocks generating a magnetic field of 0.22 T. To shim the field inhomogeneities inherent to magnet arrays constructed from these materials, a shim strategy based on the use of movable magnet blocks is employed. With this approach a reduction of the line-width from ˜20 kHz to less than 0.1 kHz was achieved, that is by more than two orders of magnitude, in a volume of 21 cm 3. Implementing a RARE sequence, 3D images of different objects placed in this volume were obtained in short experimental times. Moreover, by reducing the sample size to 1 cm 3, sub ppm resolution is obtained in 1H NMR spectra.

  18. NMR imaging: A 'chemical' microscope for coal analysis

    This paper presents a new three-dimensional (3-D) nuclear magnetic resonance (NMR) imaging technique for spatially mapping proton distributions in whole coals and solvent-swollen coal samples. The technique is based on a 3-D back-projection protocol for data acquisition, and a reconstruction technique based on 3-D Radon transform inversion. In principle, the 3-D methodology provides higher spatial resolution of solid materials than is possible with conventional slice-selection protocols. The applicability of 3-D NMR imaging has been demonstrated by mapping the maceral phases in Utah Blind Canyon (APCS number-sign 6) coal and the distribution of mobile phases in Utah coal swollen with deuterated and protic pyridine. 7 refs., 5 figs

  19. Exploiting image registration for automated resonance assignment in NMR

    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

  20. Multinuclear NMR Imaging of Fluid Phases in Berea Sandstone

    Sarkar, S. N.; Dechter, J. J.; Komoroski, R. A.

    Multinuclear NMR of 7Li, 19F, and 1H has been investigated as a method for discriminating multiple fluid phases in porous rock. Good 7Li NMR images from LiCl brine in saturated Berea sandstone were obtained within a few hours at 1 × 1 × 5 mm 3 resolution using a low-TE, 3D volume imaging sequence. At 4.7 T, the 7Li T1 was 750 ms, and T2 was 10 ms. High-quality 19F and 1H images of a model fluorinated injectant (trifluorotoluene) in Berea were obtained at 0.4 × 0.4 × 3 mm 3 resolution in a few hours. Fluorine-19 imaging was found to be easier than 1H imaging due to the narrower 19F resonance and comparable T1 and T2 in Berea sandstone. Lithium-7 and 19F imaging offer alternatives for discriminating aqueous and organic phases unambiguously in flooded oil cores, especially where 1H signals for the two phases are unresolved.

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

    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 (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.

  2. 3D {sup 23}Na MRI of human skeletal muscle at 7 Tesla: initial experience

    Chang, Gregory; Wang, Ligong; Regatte, Ravinder R. [Center for Biomedical Imaging/Hospital for Joint Diseases, Department of Radiology, NYU Langone Medical Center, New York, NY (United States); Schweitzer, Mark E. [Ottawa General Hospital, Department of Diagnostic Imaging, Ottawa, ON (Canada)

    2010-08-15

    To evaluate healthy skeletal muscle pre- and post-exercise via 7 T {sup 23}Na MRI and muscle proton T{sub 2} mapping, and to evaluate diabetic muscle pre- and post-exercise via 7 T {sup 23}Na MRI. The calves of seven healthy subjects underwent imaging pre- and post-exercise via 7 T {sup 23}Na MRI (3D fast low angle shot, TR/TE = 80 ms/0.160 ms, 4 mm x 4 mm x 4 mm) and 1 week later by {sup 1}H MRI (multiple spin-echo sequence, TR/TE = 3,000 ms/15-90 ms). Four type 2 diabetics also participated in the {sup 23}Na MRI protocol. Pre- and post-exercise sodium signal intensity (SI) and proton T{sub 2} relaxation values were measured/calculated for soleus (S), gastrocnemius (G), and a control, tibialis anterior (TA). Two-tailed t tests were performed. In S/G in healthy subjects post-exercise, sodium SI increased 8-13% (p < 0.03), then decreased (t{sub 1/2} = 22 min), and {sup 1}H T{sub 2} values increased 12-17% (p < 0.03), then decreased (t{sub 1/2} = 12-15 min). In TA, no significant changes in sodium SI or {sup 1}H T{sub 2} values were seen (-2.4 to 1%, p > 0.17). In S/G in diabetics, sodium SI increased 10-11% (p < 0.04), then decreased (t{sub 1/2} = 27-37 min) without significant change in the TA SI (-3.6%, p = 0.066). It is feasible to evaluate skeletal muscle via 3D {sup 23}Na MRI at 7 T. Post-exercise muscle {sup 1}H T{sub 2} values return to baseline more rapidly than sodium SI. Diabetics may demonstrate delayed muscle sodium SI recovery compared with healthy subjects. (orig.)

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

    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.

  4. Sodium ion dynamics in a sulfonate based ionomer system studied by 23Na solid-state nuclear magnetic resonance and impedance spectroscopy

    A poly(2-acrylamido-2-methyl-1-propane-sulphonate) (PAMPS) ionomer containing both sodium and quaternary ammonium cations functionalised with an ether group, has been characterised in terms of its thermal properties, ionic conductivity and sodium ion dynamics. The ether oxygen was incorporated to reduce the Na+ association with the anionic sulfonate groups tethered to the polymer backbone, thereby promoting ion dissociation and ultimately enhancing the ionic conductivity. This functionalised ammonium cation led to a significant reduction in the ionomer Tg compared to an analogue system without an ether group, resulting in an increase in ionic conductivity of approximately four orders of magnitude. The sodium ion dynamics were probed by 23Na solid-state NMR, which allowed the signals from the dissociated (mobile) and bound Na+ cations to be distinguished. This demonstrates the utility of 23Na solid-state NMR as a probe of sodium dynamics in ionomer systems

  5. Direct imaging of rf waveguide modes via ultra-high field NMR

    Tonyushkin, A; Van de Moortele, P -F; Adriany, G; Kiruluta, A

    2016-01-01

    We demonstrate an experimental method for direct 2D and 3D imaging of magnetic rf field distribution in metal waveguides based on traveling wave (TW) nuclear-magnetic resonance (NMR) imaging at ultra-high field (>7T). The typical apparatus would include an ultra-high field whole body or small bore NMR scanner, waveguide elements filled with NMR active dielectrics with predefined electric and magnetic properties, and TW rf transmit-receive probes. We validated the technique by obtaining TW magnetic-resonance (MR) images of the magnetic field distribution of the rf modes of circular waveguide filled with deionized water in a 16.4 T small-bore NMR scanner and compared the MR images with numerical simulations. Our NMR technique opens up a practical way of imaging of previously inaccessible rf field distribution of modes inside of various shapes metal waveguides with inserted dielectric objects, including waveguide mode converters and transformers.

  6. STIR sequences in NMR imaging of the optic nerve

    Orbital fat surrounding the optic nerve causes considerable difficulties in NMR imaging due to its high image intensity and the chemical shift artefact. We have investigated the ability of inversion recovery sequences with short inversion times (STIR sequences) to suppress fat signals in imaging the optic nerve. We have also compared the contrast attainable with STIR sequences with that obtainable from other sequences. Measurements were made on 4 normal controls and 5 patients with multiple sclerosis (MS) to obtain typical values of relaxation times and proton densities for orbital fat, cerebral white matter and MS lesions. The fat T1 measurements were used to predict an appropriate inversion time for the STIR sequence and estimate how much residual fat signal might be expected as a result of natural variations in fat T1. STIR sequences can be used to suppress the signal from orbital fat with little residual signal. Measurements from white matter and MS lesions were used to predict the contrast between normal and pathological tissues that is attainable with STIR sequences. STIR contrast compares favourably with that obtainable form other sequences. (orig.)

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

    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.

  8. On-line reconstruction of NMR images using a liquid crystal-spatial light modulator

    MRI fast-imaging technique such an echo-planar imaging (EPI) has begun to be employed in commercial MRI system and data acquisition time may be shorten to less than 100 ms. With this imaging system, if MRI images were reconstructed in a moment, we would be allowed to get a real time moving image. Reconstructing images in synchronization with data acquisition may be executed numerically by using digital signal processing board or parallel combined CPU in the case of small data-size. However, these methods even take a few time to reconstruct images and it may be the limiting factor for the real-time imaging. Optical information processing has the potential to overcome the time limitation related to image reconstruction, because optical computation has the advantage of very fast parallel processing. Holography is the most popular technique for optically reconstructing images and has the potential of producing a three-dimensional image. The expression of NMR signal in Fresnel transform technique is similar equation to that of the Fresnel diffraction equation in light. Therefore, holographic reconstruction of NMR images is feasible, making a hologram from NMR spin-echo signal and reconstructing images using a coherent optical system. In this paper, we describe a new method of optoelectronic reconstruction of NMR images using a liquid crystal-spatial light modulator (LC-SLM) as a hologram display, addressing a hologram electrically and using a coherent optical system. Experimental results show considerably good images are obtained even from the commercially available LC-SLM. The results also indicate a real-time reconstruction of NMR images by combining the NMR fast-speed imaging technique, because the hologram pattern on the LC-SLM is refreshed at a video-rate that is fully catch up with the data-acquisition time of high-speed imaging. (author)

  9. Three dimensional nuclear magnetic resonance spectroscopic imaging of sodium ions using stochastic excitation and oscillating gradients

    Frederick, B.deB. [California Univ., Berkeley, CA (United States)]|[Lawrence Berkeley Lab., CA (United States)

    1994-12-01

    Nuclear magnetic resonance (NMR) spectroscopic imaging of {sup 23}Na holds promise as a non-invasive method of mapping Na{sup +} distributions, and for differentiating pools of Na{sup +} ions in biological tissues. However, due to NMR relaxation properties of {sup 23}Na in vivo, a large fraction of Na{sup +} is not visible with conventional NMR imaging methods. An alternate imaging method, based on stochastic excitation and oscillating gradients, has been developed which is well adapted to measuring nuclei with short T{sub 2}. Contemporary NMR imaging techniques have dead times of up to several hundred microseconds between excitation and sampling, comparable to the shortest in vivo {sup 23}Na T{sub 2} values, causing significant signal loss. An imaging strategy based on stochastic excitation has been developed which greatly reduces experiment dead time by reducing peak radiofrequency (RF) excitation power and using a novel RF circuit to speed probe recovery. Continuously oscillating gradients are used to eliminate transient eddy currents. Stochastic {sup 1}H and {sup 23}Na spectroscopic imaging experiments have been performed on a small animal system with dead times as low as 25{mu}s, permitting spectroscopic imaging with 100% visibility in vivo. As an additional benefit, the encoding time for a 32x32x32 spectroscopic image is under 30 seconds. The development and analysis of stochastic NMR imaging has been hampered by limitations of the existing phase demodulation reconstruction technique. Three dimensional imaging was impractical due to reconstruction time, and design and analysis of proposed experiments was limited by the mathematical intractability of the reconstruction method. A new reconstruction method for stochastic NMR based on Fourier interpolation has been formulated combining the advantage of a several hundredfold reduction in reconstruction time with a straightforward mathematical form.

  10. Three dimensional nuclear magnetic resonance spectroscopic imaging of sodium ions using stochastic excitation and oscillating gradients

    Nuclear magnetic resonance (NMR) spectroscopic imaging of 23Na holds promise as a non-invasive method of mapping Na+ distributions, and for differentiating pools of Na+ ions in biological tissues. However, due to NMR relaxation properties of 23Na in vivo, a large fraction of Na+ is not visible with conventional NMR imaging methods. An alternate imaging method, based on stochastic excitation and oscillating gradients, has been developed which is well adapted to measuring nuclei with short T2. Contemporary NMR imaging techniques have dead times of up to several hundred microseconds between excitation and sampling, comparable to the shortest in vivo 23Na T2 values, causing significant signal loss. An imaging strategy based on stochastic excitation has been developed which greatly reduces experiment dead time by reducing peak radiofrequency (RF) excitation power and using a novel RF circuit to speed probe recovery. Continuously oscillating gradients are used to eliminate transient eddy currents. Stochastic 1H and 23Na spectroscopic imaging experiments have been performed on a small animal system with dead times as low as 25μs, permitting spectroscopic imaging with 100% visibility in vivo. As an additional benefit, the encoding time for a 32x32x32 spectroscopic image is under 30 seconds. The development and analysis of stochastic NMR imaging has been hampered by limitations of the existing phase demodulation reconstruction technique. Three dimensional imaging was impractical due to reconstruction time, and design and analysis of proposed experiments was limited by the mathematical intractability of the reconstruction method. A new reconstruction method for stochastic NMR based on Fourier interpolation has been formulated combining the advantage of a several hundredfold reduction in reconstruction time with a straightforward mathematical form

  11. High resolution NMR imaging using a high field yokeless permanent magnet

    We measured the homogeneity and stability of the magnetic field of a high field (about 1.04 tesla) yokeless permanent magnet with 40-mm gap for high resolution nuclear magnetic resonance (NMR) imaging. Homogeneity was evaluated using a 3-dimensional (3D) lattice phantom and 3D spin-echo imaging sequences. In the central sphere (20-mm diameter), peak-to-peak magnetic field inhomogeneity was about 60 ppm, and the root-mean-square was 8 ppm. We measured room temperature, magnet temperature, and NMR frequency of the magnet simultaneously every minute for about 68 hours with and without the thermal insulator of the magnet. A simple mathematical model described the magnet's thermal property. Based on magnet performance, we performed high resolution (up to [20 μm]2) imaging with internal NMR lock sequences of several biological samples. Our results demonstrated the usefulness of the high field small yokeless permanent magnet for high resolution NMR imaging. (author)

  12. Superparamagnetic particles as possible contrast agents for NMR imaging

    The development of 'magneto-pharmaceuticals' plays an important role in the extension of nuclear magnetic resonance (NMR) for diagnostic medicine. Fundamental investigations leading to the new area of NMR contrast agents are considered. Superparamagnetic particles represent a new class of NMR contrast agents that usually referred to as T2 or T*2 contrast agents as opposed to T1 agents, such as paramagnetic chelates. Another novelty presented by superparamagnetic agents is their specific distribution. The synthesis and the transverse R2 and longitudinal R1 relaxivity measurements of some ferro-, ferri- and superparamagnetic particles suspensions are presented. (authors)

  13. Methodological NMR imaging developments to measure cerebral perfusion

    This work focuses on acquisition techniques and physiological models that allow characterization of cerebral perfusion by MRI. The arterial input function (AIF), on which many models are based, is measured by a technique of optical imaging at the carotid artery in rats. The reproducibility and repeatability of the AIF are discussed and a model function is proposed. Then we compare two techniques for measuring the vessel size index (VSI) in rats bearing a glioma. The reference technique, using a USPIO contrast agent (CA), faces the dynamic approach that estimates this parameter during the passage of a bolus of Gd. This last technique has the advantage of being used clinically. The results obtained at 4.7 T by both approaches are similar and use of VSI in clinical protocols is strongly encouraged at high field. The mechanisms involved (R1 and R2* relaxivities) were then studied using a multi gradient -echoes approach. A multi-echoes spiral sequence is developed and a method that allows the refocusing between each echo is presented. This sequence is used to characterize the impact of R1 effects during the passage of two successive injections of Gd. Finally, we developed a tool for simulating the NMR signal on a 2D geometry taking into account the permeability of the BBB and the CA diffusion in the interstitial space. At short TE, the effect of diffusion on the signal is negligible. In contrast, the effects of diffusion and permeability may be separated at long echo time. Finally we show that during the extravasation of the CA, the local magnetic field homogenization due to the decrease of the magnetic susceptibility difference at vascular interfaces is quickly balanced by the perturbations induced by the increase of the magnetic susceptibility difference at the cellular interfaces in the extravascular compartment. (author)

  14. Processing and display of three-dimensional data sets in NMR imaging

    Latest developments of NMR techniques allow measurements of 3-D objects within a time sufficiently short for clinical application. Digital image processing is the technique that permits to obtain the 3-D image either by secondary reconstruction, or by imaging the surface of medical objects. (orig.)

  15. NMR imaging of the facial skull and neck. Diagnostic value of NMR imaging in combination with the use of gadolinium-DTPA as compared to computerized tomography

    Heuck, A.; Reiser, M.; Wagner-Manslau, C.; Gmeinwieser, J.; Herzog, M.

    1988-05-01

    NMR imaging has proved a superior method for the diagnosis of pathological processes in the soft parts of the facial skull and neck, but it is less efficient in the imaging of alterations in the bone tissue as compared to CT. By the use of gadolinium-DTPA, additional information can be obtained on perifocal edemas and irrigation conditions in the area of pathological processes.

  16. NMR Based Diffusion Pore Imaging by Double Wave Vector Measurements

    Kuder, Tristan Anselm

    2012-01-01

    In porous material research, one main interest of nuclear magnetic resonance (NMR) diffusion experiments is the determination of the exact shape of pores. It has been a longstanding ques-tion if this is achievable in principle. In this work, we present a method using short diffusion gradient pulses only, which is able to reveal the shape of arbitrary closed pores without rely-ing on a priori knowledge. In comparison to former approaches, the method has reduced de-mands on relaxation times and allows for a more flexible NMR sequence design, since, for example, stimulated echoes can be used.

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

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

  18. A comparison study of PET, NMR, and CT imaging in cerebral ischemia

    Whether ischemia without infarction produces recognizable changes in relaxation times of ischemic but viable brain is an important, unresolved issue. Therefore, a study was initiated of patients with cerebral ischemia, using positron emission tomography (PET), NMR, and computed tomography (CT) to compare and contrast the pathophysiologic information provided by each and to study the issue of whether cerebral ischemia without infarction can be appreciated by proton NMR imaging. Here the initial results are reported. 4 refs.; 2 figs.; 1 table

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

    Kenouche, S.; Perrier, M.; Bertin, N.;

    2014-01-01

    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...... 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...

  20. Comparative imaging of liquids in rocks by NMR and differential x ray CT

    The authors of this paper applied NMR Imaging and X-ray Computerized Tomography to the study of the structural properties of rocks. Samples from different porous rocks; sandstones, granites, limestones have been successively examined by both techniques. NMR images have been obtained on water saturated samples. The spatial distribution of liquid indicates the effective porosity. By contrast, x Ray images display the mineral content of rocks. Standard tomographs do not have the required resolution to see pores smaller than 100 μm. The authors used water as a contrast agent to localize porosities by differential CT. Comparative results are shown

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

    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

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

    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

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

    Michael W. Malone

    2016-05-01

    Full Text Available Using a simple low-field NMR system, we monitored water content in a livingtree in a greenhouse over two months. By continuously running thesystem, we observed changes in tree water content on a scale of halfan hour. The data showed a diurnal change in water content consistentboth with previous NMR and biological observations. Neutron imaging experiments showthat 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 accountingfor the role of temperature in the observed NMR signal, we demonstratea change in the diurnal signal behavior due to simulated drought conditionsfor the tree. These results illustrate the utility of our system toperform noninvasive measurements of tree water content outside of a temperature controlled environment.

  4. Determination of binder distributions in green-state ceramics by NMR imaging

    The manufacture of reliable high performance structural ceramics requires a good understanding of the different steps involved in the process. The presence of nonuniformities in the distribution of the polymeric binder could give rise to local fluctuations of density that could produce failure of the ceramic piece. Specimens prepared from Al2O3 with 15 and 2.5% ww binder were imaged using NMR in order to measure binder distribution maps. Results show that NMR imaging could be a useful technique to nondestructively evaluate the quality of green-state specimens. 5 refs., 5 figs

  5. The TMS34010 graphic processor - an architecture for image visualization in NMR tomography

    This abstract presents a description of the minimum system implemented with the graphic processor TMS34010, which will be used in the reconstruction, treatment and interpretation f images obtained by NMR tomography. The project is being developed in the LIE (Electronic Instrumentation Laboratory), of the Sao Carlos Chemistry and Physical Institute, S P, Brazil and is already in operation

  6. Imaging and measurement of T1 value by NMR of low magnetic field

    FONAR QED-80α having two operating mode: the anatomy mode to obtain an image of proton densities and the chemistry mode to measure T1 value at a region of intenst, was used clinically. The strength of static magnetic field is 0.041T. 32 cases, 18 healthy volunteers and 14 patients were studied. In proton density imaging, high proton density organs such as skin were imaged bright, and low proton density organs such as bones and flowing blood were imaged dark. The merits of NMR imaging are no artifacts caused by bones and air. However, NMR image is required long time for measurement and the image of NMR is unsharp than that of X-ray CT. Concerning with T1 value, cerebral and cerebellar gray matter had longer T1's than that of white matter. Pathological lesions, such as tumor and/or infarct, had also longer T1 values than these of normal tissue. The value of T1 was thought to be applicable clinically except for some problems, such as measuring T1 value of large extent. No side effects were found during and after examinations. (author)

  7. Skin sodium measured with (23) Na MRI at 7.0 T

    Linz, P.; Santoro, D.; Renz, W.; J. Rieger; Ruehle, A.; Ruff, J; Deimling, M.; Rakova, N.; Muller, D.N.; Luft, F. C.; Titze, J.; Niendorf, T

    2015-01-01

    Skin sodium (Na+ ) storage, as a physiologically important regulatory mechanism for blood pressure, volume regulation and, indeed, survival, has recently been rediscovered. This has prompted the development of MRI methods to assess Na+ storage in humans (23 Na MRI) at 3.0 T. This work examines the feasibility of high in-plane spatial resolution 23 Na MRI in skin at 7.0 T. A two-channel transceiver radiofrequency (RF) coil array tailored for skin MRI at 7.0 T (f = 78.5 MHz) is proposed. Specif...

  8. Differential diagnosis among pituitary and juxtasellar tumors on the basis of NMR images

    Proton nuclear magnetic resonance (NMR) scans were performed on 18 patients with pituitary and parasellar tumors and compared with X-ray computed tomography (CT) scans. NMR images were also compared with the operative findings and the pathological changes in the tumors. NMR scans lack bone artifacts and are superior to X-ray CT scans in terms of soft-tissue contrasts, including the marked gray-white-matter contrast. Pituitary adenomas exhibited a high-intensity on SRsub(2000/1000) and a low-intensity on IRsub(1400/400). The diverse histological changes in tumor tissue are not reflected in the changes in the NMR images. Meningiomas were seen as high-intensity on SRsub(2000/1000) and as low-intensity on IRsub(1400/400). On IR images, meningiomas exhibited a higher intensity than pituitary adenomas. Rathke's cleft cyst showed a high-intensity on SRsub(2000/1000) and a high-intensity with a peripheral low-intensity on IRsub(1400/400). These findings on the NMR scans may contribute to the differential diagnosis, because tumors in parasellar regions have, in general, longer T1 relaxation times than brain tissues. Craniopharyngiomas were demonstrated to have two components, a solid part and a cystic part. Both were shown as high-intensity on SRsub(2000/1000). The solid part was seen as low-intensity on IRsub(1600/600) and IRsub(1400/400). The cystic part was shown to be low-intensity on IRsub(1400/400). Cystic-membrane and intracystic-niveau formation were revealed on IRsub(1600/600). In many cases, the craniopharyngioma contains small or large calcifications. It is a drawback of the NMR scans that such calcifications are not visualized. (J.P.N.)

  9. Volume determination of organs using NMR-CT images

    Water phantoms with the volume of 10, 50, 100, 200 and 300 ml surrounded by salad oil were made. The basic experiments were achieved with these phantoms to investigate the accuracy of volume determination and the influence of RF pulse series. NMR - CT employed was Asahi Mark - J. The magnetic field was 0.1T (conductive magnet). The slice thickness were 15 mm. The contour of the phantoms was determined manually using truck - ball and/or automatically by a computer program developed by us. The volume was calculated by the summation of contour area multiplied by the slice pitch. At volumes < 50 ml the error is quite significant but at larger volumes greater than 300 ml the error is reduced to ± 10 %. The volumes of the liver and spleen were measured using both coronal and transverse scans. The error in volume measurement between the scans taken in different planes was found to be 7.0 ± 4.1 % for the liver and 12.4 ± 4.65 % for the spleen. (author)

  10. Hyperpolarized singlet NMR on a small animal imaging system

    Laustsen, Christoffer; Pileio, Giuseppe; Tayler, Michael C. D.; Brown, Lynda J.; Brown, Richard C. D.; Levitt, Malcolm H.; Ardenkjaer-Larsen, Jan H.

    2012-01-01

    Nuclear spin hyperpolarization makes a significant advance toward overcoming the sensitivity limitations of in vivo magnetic resonance imaging, particularly in the case of low-gamma nuclei. The sensitivity may be improved further by storing the hyperpolarization in slowly relaxing singlet populations of spin-1/2 pairs. Here, we report hyperpolarized 13C spin order transferred into and retrieved from singlet spin order using a small animal magnetic resonance imaging scanner. For spins in sites...

  11. Resonance neutron capture in 23Na and 27Al from 3 to 600 keV

    The radiative capture cross sections of 23Na and 27Al were measured with the high resolution facility at the 40 m station of the Oak Ridge Electron Linear Accelerator. Resonance parameters for the individual resonances below 600 keV are given. Particular care was taken to correct the data for prompt neutron scattering effects by Monte Carlo methods

  12. Elastic Scattering between Ultracold 23Na and 85Rb Atoms in the Triplet State

    HU Qiu-Bo; ZHANG Yong-Sheng; SUN Jin-Feng; YU Ke

    2011-01-01

    @@ The elastic scattering Properties between ultracold 23Na and 85Rd atoms for the triplet state(a3∑u+ )are researched.The s-wave scattering lengts of 23Na and 85Rb are calculate by the Numerov ana semtc asstc method with two kinds of interatomic potentials, which are the interpolation potential and Lennard-Jones potential(LJ12,6)by the same phase 4φ Shape resonances appear clearly in the l= 5 partial waves for the a- Lu state.Moreover, the s-wave scattering cross section, total cross section and energy positions of shape resonances are also discussed.%The elastic scattering properties between ultracold 23Na and 85 Rb atoms for the triplet state (a3Σu+ ) are researched. The s-wave scattering lengths of 23Na and 85Rb are calculated by the Numerov and semiclassical method with two kinds of interatomic potentials, which are the interpolation potential and Lennard-Jones potential (LJ12,6) by the same phase φ. Shape resonances appear clearly in the l= 5 partial waves for the a3 Σu+state. Moreover, the s-wave scattering cross section, total cross section and energy positions of shape resonances are also discussed.

  13. Compact magnet array for portable high-resolution NMR and imaging

    Danieli, Ernesto; Perlo, Juan; Bluemich, Bernhard; Casanova, Federico [ITMC, RWTH Aachen University (Germany)

    2010-07-01

    Portable NMR probes built from permanent magnets offer several advantages over conventional NMR systems. However, the inhomogeneity of the magnetic field generated by these sensors precludes their use in high resolution NMR spectroscopy and MRI. Recently we have demonstrated that the inhomogeneities of the magnetic field can be removed by providing the sensor with movable permanent magnets which allows generating and controlling harmonic field corrections by a mechanical shimming approach. In this work we present a high-performance magnet design based on this concept, which enables us to reduce the size of the magnet keeping the field strength and the sample volume constant. In particular, it was used to build a palm size magnet working in a volume large enough to fit conventional 5 mm NMR tubes where the high field homogeneity allowed us to measure proton NMR spectra of different solvents with a resolution better than 0.16 ppm at 30 MHz. By scaling the dimensions of the magnet the same geometry was optimized to build a portable MRI scanner for imaging samples of 4 cm DSV 1.

  14. Compact magnet array for portable high-resolution NMR and imaging

    Portable NMR probes built from permanent magnets offer several advantages over conventional NMR systems. However, the inhomogeneity of the magnetic field generated by these sensors precludes their use in high resolution NMR spectroscopy and MRI. Recently we have demonstrated that the inhomogeneities of the magnetic field can be removed by providing the sensor with movable permanent magnets which allows generating and controlling harmonic field corrections by a mechanical shimming approach. In this work we present a high-performance magnet design based on this concept, which enables us to reduce the size of the magnet keeping the field strength and the sample volume constant. In particular, it was used to build a palm size magnet working in a volume large enough to fit conventional 5 mm NMR tubes where the high field homogeneity allowed us to measure proton NMR spectra of different solvents with a resolution better than 0.16 ppm at 30 MHz. By scaling the dimensions of the magnet the same geometry was optimized to build a portable MRI scanner for imaging samples of 4 cm DSV 1.

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

    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

  16. Hyperpolarized singlet NMR on a small animal imaging system

    Laustsen, Christoffer; Pileio, Giuseppe; Tayler, Michael C. D.;

    2012-01-01

    Nuclear spin hyperpolarization makes a significant advance toward overcoming the sensitivity limitations of in vivo magnetic resonance imaging, particularly in the case of low-gamma nuclei. The sensitivity may be improved further by storing the hyperpolarization in slowly relaxing singlet populat...

  17. An instrument control and data analysis program for NMR imaging and spectroscopy

    We describe a software environment created to support real-time instrument control and signal acquisition as well as array-processor based signal and image processing in up to five dimensions. The environment is configured for NMR imaging and in vivo spectroscopy. It is designed to provide flexible tools for implementing novel NMR experiments in the research laboratory. Data acquisition and processing operations are programmed in macros which are loaded in assembled from to minimize instruction overhead. Data arrays are dynamically allocated for efficient use of memory and can be mapped directly into disk files. The command set includes primitives for real-time control of data acquisition, scalar arithmetic, string manipulation, branching, a file system and vector operations carried out by an array processor. 6 figs

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

    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...

  19. Wavelet Filtering and Level Set Segmentation of NMR Images for Monitoring the Development of Growing Cultures

    Mikulka, J.; Gescheidtová, E.; Bartušek, Karel

    Cambridge : Electromagnetic Academy, 2009 - (Kong, J.), s. 1124-1127 ISBN 978-1-934142-08-0. ISSN 1559-9450. [Progress in Electromagnetics Research Symposium 2009 Beijing. Beijing (CN), 23.04.2009-27.04.2009] R&D Projects: GA ČR(CZ) GA102/07/0389 Institutional research plan: CEZ:AV0Z20650511 Keywords : Wavelet Filtering * NMR Images Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

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

    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.

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

    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

  2. Pionic 2p-1s X-ray transitions in 19F and 23Na

    Pi-atomic 2p-1s transitions have been studied in 19F and 23Na. The measured energies are 195.17 +-0.16 and 275.75 +- 0.26 keV, and the Lorentzian full-widths at half-maximum are 10.12 +- 0.74 and 12.0 +- 1.2 keV respectively. A comparison is made with optical model calculations. (Auth.)

  3. Three new low-energy resonances in the $^{22}$Ne(p,$\\gamma$)$^{23}$Na reaction

    Cavanna, F; Aliotta, M; Anders, M; Bemmerer, D; Best, A; Böltzig, 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

    2015-01-01

    The $^{22}$Ne(p,$\\gamma$)$^{23}$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,$\\gamma$)$^{23}$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,$\\gamma$)$^{23}$Na resonances at 156.2, 189.5, and 259.7\\,keV are reported. Their resonance strengths have been derived with 2-7\\% uncertainty. In addition, upper limits for three other resonances have been greatly reduced. Data were 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 I...

  4. High spin states in 26Mg and 23Na populated by heavy ion reactions

    Two experiments were used to produce high-spin states in sd-shell nuclei. Beams of 18O and 15N were extracted from the Oak Ridge National Laboratory EN tandem van de Graaff accelerator. Alpha particles from the 12C(18O,α)26Mg and 12C-(15N,α)23Na reactions were detected with a Borkowski-Kopp proportional counter at the focal plane of an Enge split-pole magnetic spectrograph. The differential cross sections extracted for many levels in the respective residual nuclei were averaged over several bombarding energies. These cross sections were analyzed in the framework of the Hauser-Feshbach formalism applicable to compound nuclear reactions. Both reactions are shown to be generally well predicted by the statistical model, though an apparent anomaly exists for certain states observed in the 12C(15N,α)23Na reaction. Several of the high-spin states are discussed in terms of the rotational model, and levels in 23Na are compared to high-spin state predictions from large basis shell model calculations

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

    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.; LUNA Collaboration

    2015-12-01

    The 22Ne (p ,γ )23Na reaction takes part in the neon-sodium cycle of hydrogen burning. This cycle affects the synthesis of the elements between 20Ne and 27Al in asymptotic giant branch stars and novae. The 22Ne(p ,γ )23Na 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 22Ne (p ,γ )23Na 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 22Ne 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.

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

    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

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

    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.

  8. NMR imaging of heavy metal absorption in alginate, immobilized cells, and kombu algal biosorbents.

    Nestle, N F; Kimmich, R

    1996-09-01

    In this contribution, an NMR imaging study of heavy metal absorption in alginate, immobilized-cell biosorbents, and kombu (Laminaria japonica) algal biomass is presented. This method provides the good possibility of directly monitoring the time evolution of the spatial distribution of the ions in the materials. From these results, we demonstrate that rare earth ions are absorbed with a steep reaction front that can be described very well with a modified shrinking core model, while copper ions are absorbed with a more diffuse front. PMID:18629817

  9. Imaging of multiphase fluid saturation within a porous material via sodium NMR.

    Washburn, Kathryn E; Madelin, Guillaume

    2010-01-01

    We present in this paper a method to monitor multiphase fluid core saturation through measurement of the sodium NMR signal. In a rock core saturated with water and oil, sodium will be present only in the water phase, and therefore can be used to separate the two fluids. Two dimensional sodium images were taken to monitor the movement of brine into oil saturated rock cores. The measured fluid exchange agrees well with expected behavior from traditional core analysis methods. Indications of damage to the rock structure can be seen from the patterns of fluid imbibition. PMID:19864169

  10. NMR 1D-imaging of water infiltration into meso-porous matrices

    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 NaNO3 (highly soluble) and/or BaSO4 (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 cryo-poro-metry 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. (authors)

  11. Optically pumped polarized 23Na vapor target for use in polarized ion source. Technical progress report

    We are currently measuring relaxation times in an optically pumped 23Na vapor target. Our research is directed toward improvements in the optically pumped Na vapor targets used for the production of polarized H- ions. In this progress report we review the properties of the optically pumped polarized H- ion source and especially the optically pumped Na vapor target employed in this source as well as discussing the progress of our research on relaxation times in an optically pumped Na vapor target. 30 references, 6 figures, 3 tables

  12. R-Matrix Analysis of the Total and Inelastic Scattering Cross Section of 23Na

    Kopecky, Stefan; Plompen, Arjan

    2011-01-01

    Resonance parameters characterizing the interaction of neutrons with 23Na in the energy range from 0.3 to 2 MeV were obtained. These parameters describe the total and inelastic cross section. They were obtained from an analysis of data reported by Märten et al. for inelastic and elastic scattering and by D.C. Larson et al. for the total cross section. The data analysis and deduced resonance parameters are presented in some detail. This report serves to clarify the resonance parameters deliver...

  13. Decay properties of 266Bh and 262Db produced in the 248Cm+23Na reaction

    Decay properties of an isotope 266Bh and its daughter nucleus 262Db produced by the 248Cm(23Na,5n) reaction were studied by using a gas-filled recoil separator coupled with a position-sensitive semiconductor detector. 266Bh was clearly identified from the correlation of the known nuclide, 262Db. The obtained decay properties of 266Bh and 262Db are consistent with those observed in the 278113 chain, which provided further confirmation of the discovery of 278113. (author)

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

    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.

  15. 23Na-Magnetresonanzspektroskopie-Untersuchungen zum Verlauf der Narbenentwicklung nach Myokardinfarkt

    Scheffer H

    2001-01-01

    Full Text Available Magnetresonanzspektroskopie (MRS erlaubt die nichtinvasive Untersuchung der Konzentrationen von Stoffwechselprodukten und Ionen im Herzen. Der Gesamtnatrium (Na-Gehalt könnte für die Untersuchung der Vitalität von Myokardgewebe verwendet werden, jedoch gibt es keine Berichte über die Entwicklung des Na-Gehalts in der chronischen Infarktnarbe im Vergleich zum normalen Myokard. Die vorliegende Studie untersucht die Änderungen des myokardialen Na-Gehalts während der Narbenentwicklung nach einem Myokardinfarkt (MI am Modell der Koronarligatur in der Ratte. Ratten wurden einer Ligatur des Ramus intraventricularis anterior unterzogen. Myokardgewebe von Kontrolltieren sowie infarziertes Gewebe wurden 1, 3, 7, 28 und 56 Tage postoperativ entnommen und der Na-Gehalt mittels 23Na-MRS und Ionenchromatographie bestimmt. Der Na-Gehalt nach MI war zu allen Zeitpunkten bei beiden Bestimmungsmethoden auf Werte zwischen 306 und 160 % des Kontrollwertes erhöht (n = 6-8 je Gruppe, p 0,01 vs. Kontrolle. Der Na-Gehalt ist im chronisch infarzierten Myokardgewebe zu allen Zeitpunkten erhöht. Damit kann überlebendes Myokard von einer Infarktnarbe anhand des Na-Gehalts unterschieden werden. Diese Information könnte in der 23Na-Magnetresonanzbildgebung (MRI zur Bestimmung der Infarktnarbe eine klinische Anwendung finden.

  16. Application of potential harmonic expansion method to BEC: Thermodynamic properties of trapped 23Na atoms

    Anasuya Kundu; Barnali Chakrabarti; Tapan Kumar Das

    2005-07-01

    We adopt the potential harmonics expansion method for an ab initio solution of the many-body system in a Bose condensate containing interacting bosons. Unlike commonly adopted mean-field theories, our method is capable of handling two-body correlation properly. We disregard three- and higher-body correlations. This simplification is ideally suited to dilute Bose Einstein condensates, whose number density is required to be so small that the interparticle separation is much larger than the range of two-body interaction to avoid three- and higher-body collisions, leading to the formation of molecules and consequent instability of the condensate. In our method we can incorporate realistic finite range interactions. We calculate energies of low-lying states of a condensate containing 23Na atoms and some thermodynamical properties of the condensate.

  17. Investigation of thermal neutron capture in 23Na, 138Ba, 140Ce and 142Ce

    A measurement of the angular correlation of γ-rays emitted in the capture of thermal neutrons in 23Na has been used to determine the multipole mixing ratio delta for seventeen transitions in 24Na, of which seven are primary transitions. For these primary transitions also the capture state spin admixture α has been derived. The neutron capture reaction proceeds predominantly through the Jsup(π)=1+ channel, as expected from previous cross-section measurements. A measurement of the circular polarization of γ-rays resulting from the capture of polarized thermal neutrons in 138Ba, 140Ce and 142Ce has yielded spin assignments for p-states in the final nuclei. Excitation energies and reaction Q-values have been obtained from the analysis of singles spectra taken with unpolarized neutrons. (Auth.)

  18. Compact NMR

    Bluemich, Bernhard; Haber-Pohlmeier, Sabina; Zia, Wasif [RWTH Aachen Univ. (Germany). Inst. fuer Technische und Makromolekulare Chemie (ITMC)

    2014-06-01

    Nuclear Magnetic Resonance (NMR) spectroscopy is the most popular method for chemists to analyze molecular structures, while Magnetic Resonance Imaging (MRI) is a non-invasive diagnostic tool for medical doctors that provides high-contrast images of biological tissue. In both applications, the sample (or patient) is positioned inside a large, superconducting magnet to magnetize the atomic nuclei. Interrogating radio-frequency pulses result in frequency spectra that provide the chemist with molecular information, the medical doctor with anatomic images, and materials scientist with NMR relaxation parameters. Recent advances in magnet technology have led to a variety of small permanent magnets to allow compact and low-cost instruments. The goal of this book is to provide an introduction to the practical use of compact NMR at a level nearly as basic as the operation of a smart phone.

  19. Compact NMR

    Nuclear Magnetic Resonance (NMR) spectroscopy is the most popular method for chemists to analyze molecular structures, while Magnetic Resonance Imaging (MRI) is a non-invasive diagnostic tool for medical doctors that provides high-contrast images of biological tissue. In both applications, the sample (or patient) is positioned inside a large, superconducting magnet to magnetize the atomic nuclei. Interrogating radio-frequency pulses result in frequency spectra that provide the chemist with molecular information, the medical doctor with anatomic images, and materials scientist with NMR relaxation parameters. Recent advances in magnet technology have led to a variety of small permanent magnets to allow compact and low-cost instruments. The goal of this book is to provide an introduction to the practical use of compact NMR at a level nearly as basic as the operation of a smart phone.

  20. Studies of perfluorocarbon emulsions as potential diagnostic agents for in vivo spectroscopy and NMR imaging

    The relaxation times of fluorines in several perfluorinated hydrocarbons have been determined in conventional NMR at 84.67 MHz using inversion-recovery experiments, and the linear variation of spin-lattice relaxation rates of fluorine with oxygen content has been observed. Emulsions of these same compounds (prepared as 10% perfluorocarbon in physiological buffer) have been injected iv and ip into normal Wistar rats and tumor bearing Syrian Golden hamsters. Spectra have been collected from several anatomical regions using surface coils on a Phosphoenergetics, Inc. in vivo spectroscopy and imaging instrument with a 30 cm horizontal bore magnet operating at 2.2 Tesla; they have been compared for chemical shift differences. Isolated organs have also been analyzed after sacrifice and serial necropsy of the animals to determine the presence of fluorocarbon and any evidence of metabolites; homogenization and extraction of these same excised tissues have been followed by in vitro spectroscopy of the resultant solutions on a JEOL FX90Q. A fluorine image of a hamster bearing a flank-transplanted malignant melanoma clearly shows the tumor as a bright region; direct injection of emulsion into the lateral ventricle of a rat's brain enabled sharp delineation of that anatomical feature

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

    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. PMID:26894323

  2. Long Hyperfine Coherence Time of Ultracold Fermionic 23 Na40 K Molecules

    Park, Jee Woo; Yan, Zoe; Loh, Huanqian; Will, Sebastian; Zwierlein, Martin

    2016-05-01

    Ultracold molecules created and trapped at sub uK temperatures allow the full control of the molecule's external and internal degrees of freedom down to a single hyperfine state. In particular, an ensemble of molecules all initialized in a single rotational and hyperfine state can be prepared and be coherently addressed using microwave fields. In this talk, we report on the observation of long coherence time between two hyperfine states of fermionic 23 Na40 K molecules in the ro-vibronic ground state (v = 0 , J = 0). A direct two-photon microwave transition via the J = 1 state is used to prepare a superposition of two lowest hyperfine states of J = 0 , and we perform Ramsey spectroscopy as a direct probe of phase coherence between these states. The fermionic nature of the molecules and the lack of electronic angular momentum in the ro-vibronic ground state heavily suppress the decoherence from collisions and external fields, respectively, and we observe long coherence times upto 0.5 sec for this hyperfine superposition state. The observed long coherence time is a crucial step for applications of trapped dipolar molecules in quantum information processing schemes.

  3. NMR imaging of chitosan and carboxymethyl starch tablets: swelling and hydration of the polyelectrolyte complex.

    Wang, Y J; Assaad, E; Ispas-Szabo, P; Mateescu, M A; Zhu, X X

    2011-10-31

    The hydration and swelling properties of the tablets made of chitosan, carboxymethyl starch, and a polyelectrolyte complex of these two polysaccharides have been studied by NMR imaging. We studied the effect of pH and ionic strength on the swelling of the tablets and on the diffusion of fluid into the tablets in water and simulated physiological fluids. The pH value of the fluids exerts a more significant effect than their ionic strengths on the swelling of the tablets. The tablets are compared also with those made of cross-linked high amylose starch. The formation of complex helps to keep the integrity of the tablets in various media and render a slow and restricted swelling similar to that of the tablets of the cross-linked high amylase starch, which is significantly lower than the swelling of chitosan and of carboxymethyl starch. The capacities to modulate the release rate of drugs in different media are discussed by comparing the matrices and evaluating the preparation process of the complex. A sustained release of less soluble drugs such as aspirin in gastrointestinal fluids can be provided by the complex, due to the ionic interaction and hydrogen bonding between the drug and the biopolymer complex. PMID:21864660

  4. Laser deposition, vibrational spectroscopy, NMR spectroscopy and STM imaging of C60 and C70

    The authors of this paper demonstrated that C60 and C70, as well as other fullerenes, can be deposited and accumulated on surfaces using laser ablation of graphite in an inert gas atmosphere. Indicating the presence of C60 in carbon soot, the authors showed that samples consisting exclusively of C60 and C70 can be sublimed from such soot. Vibrational Raman spectra of C60 and C70 were obtained from these samples. The C60 spectrum is consistent with the calculated spectrum of Buckminsterfullerene, and the strongest three lines can be assigned on the basis of frequency and polarization. The NMR spectrum of dissolved C60 was then obtained, and found to consist of a single resonance, establishing the Icosahedral symmetry of this molecule. STM images of the C60 molecules on a Au(111) crystal face show that these clusters form hexagonal arrays with an intercluster spacing of 11.0 Angstrom and are mobile at ambient temperature. Distinctly taller species evident in the arrays are believed to be C70 clusters. Vibrational Raman and infrared spectra have also been obtained for separated C60 and C70

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

    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.

  6. Interface induced growth and transformation of polymer-conjugated proto-crystalline phases in aluminosilicate hybrids: a multiple-quantum 23Na-23Na MAS NMR correlation spectroscopy study

    Brus, Jiří; Kobera, Libor; Urbanová, Martina; Doušová, B.; Lhotka, M.; Koloušek, D.; Kotek, Jiří; Čuba, P.; Czernek, Jiří; Dědeček, Jiří

    2016-01-01

    Roč. 32, č. 11 (2016), s. 2787-2797. ISSN 0743-7463 R&D Projects: GA ČR(CZ) GA13-24155S; GA MŠk(CZ) LD14010; GA MŠk(CZ) LO1507 Grant ostatní: European Commission(XE) COST Action MP1202 HINT Institutional support: RVO:61389013 ; RVO:61388955 Keywords : aluminosilicate hybrids * hybrid geopolymers * interface Subject RIV: CD - Macromolecular Chemistry; CF - Physical ; Theoretical Chemistry (UFCH-W) Impact factor: 4.457, year: 2014

  7. Experimental study of the 22Ne(p,γ)23Na reaction and its implications for novae scenarios

    The 22Ne(p,γ)23Na reaction belongs to the catalytic neon-sodium cycle and has an important role in the explosive hydrogen burning. The neon-sodium cycle takes place at temperatures of T = 0.1 - 0.5 GK and is assumed to occur in different astrophysical systems: e.g. in novae, in super novae of type Ia and during the shell-burning of red giant branch stars. The implications of 22Ne(p,γ)23Na and the neon-sodium cycle in a nova scenario have been studied by using the nuclear network code libnucnet at GSI in Darmstadt. A nova is an outburst of matter in a binary system consisting of a white dwarf and a red giant star. It is therefore a representative phenomenon for explosive hydrogen burning. For the calculation of the nucleosynthesis during the nova outburst, the code libnucnet requires the initial mass composition of the novae partners, the temperature and density profiles of the nova explosion and the thermonuclear reaction rates of the participating reactions. In the following, the code determined the flow and the final atomic abundance in the neon-sodium cycle during the entire nova process. Additionally, the influence of the temperature profile of the novae outburst as well as the thermonuclear reaction rate of the 22Ne(p,γ)23Na reaction on the final atomic abundance in the outburst has been studied. A characteristic measure for the reactions in astrophysical environments is the thermonuclear reaction rate. The reaction rate of 22Ne(p,γ)23Na has still strong uncertainties in the temperature range of T = 0.03 - 0.3 GK. These uncertainties are based on insufficient upper limits of the resonance strengths as well as the possible existence of tentative states that are populated in the energy range of Elabp = 30 - 300 keV. The research presented in this thesis is dedicated to the experimental study of the 22Ne(p,γ)23Na reaction for an improved determination of the thermonuclear reaction rate. Furthermore, the implications of 22Ne(p,γ)23Na and the neon

  8. Experimental study of the {sup 22}Ne(p,{gamma}){sup 23}Na reaction and its implications for novae scenarios

    Menzel, Marie-Luise

    2013-08-01

    The {sup 22}Ne(p,{gamma}){sup 23}Na reaction belongs to the catalytic neon-sodium cycle and has an important role in the explosive hydrogen burning. The neon-sodium cycle takes place at temperatures of T = 0.1 - 0.5 GK and is assumed to occur in different astrophysical systems: e.g. in novae, in super novae of type Ia and during the shell-burning of red giant branch stars. The implications of {sup 22}Ne(p,{gamma}){sup 23}Na and the neon-sodium cycle in a nova scenario have been studied by using the nuclear network code libnucnet at GSI in Darmstadt. A nova is an outburst of matter in a binary system consisting of a white dwarf and a red giant star. It is therefore a representative phenomenon for explosive hydrogen burning. For the calculation of the nucleosynthesis during the nova outburst, the code libnucnet requires the initial mass composition of the novae partners, the temperature and density profiles of the nova explosion and the thermonuclear reaction rates of the participating reactions. In the following, the code determined the flow and the final atomic abundance in the neon-sodium cycle during the entire nova process. Additionally, the influence of the temperature profile of the novae outburst as well as the thermonuclear reaction rate of the {sup 22}Ne(p,{gamma}){sup 23}Na reaction on the final atomic abundance in the outburst has been studied. A characteristic measure for the reactions in astrophysical environments is the thermonuclear reaction rate. The reaction rate of {sup 22}Ne(p,{gamma}){sup 23}Na has still strong uncertainties in the temperature range of T = 0.03 - 0.3 GK. These uncertainties are based on insufficient upper limits of the resonance strengths as well as the possible existence of tentative states that are populated in the energy range of E{sup lab}{sub p} = 30 - 300 keV. The research presented in this thesis is dedicated to the experimental study of the {sup 22}Ne(p,{gamma}){sup 23}Na reaction for an improved determination of the

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

    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

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

    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.

  11. NMR images of non-communicating hydrocephalus associated with Dandy-Walker variant and achondroplasia

    Two cases of non-communicating hydrocephalus caused by a relatively rare etiology were reported. They were both diagnosed by means of nuclear magnetic resonance (NMR). The first patient, a 4-month-old boy, had Dandy-Walker variant, showing hypoplasia of the corpus callosum and the inferior vermis, and a large cyst behind the vermis, communicating with the subarachnoid space, as well as hydrocephalus; the fourth ventricle was partially reserved. The second patient, also a 4-month-old boy, had achondroplasia, resulting in a narrow foramen magnum; the disturbance of the outflow of the cerebro-spinal fluid around the cisterna magna was thought to be the cause of hydrocephalus in his case. The validity of NMR was demonstrated in the diagnoses of these conditions, for a high resolution was needed in examining the complicated structure of the posterior fossa. (author)

  12. NMR images of non-communicating hydrocephalus associated with Dandy-Walker variant and achondroplasia

    Sato, Masaharu; Kuroda, Ryotaro; Watanabe, Masaru; Nakatani, Jiro; Ioku, Masahiko; Irisawa, Minoru; Hamada, Tatsumi; Ishida, Osamu

    1988-06-01

    Two cases of non-communicating hydrocephalus caused by a relatively rare etiology were reported. They were both diagnosed by means of nuclear magnetic resonance (NMR). The first patient, a 4-month-old boy, had Dandy-Walker variant, showing hypoplasia of the corpus callosum and the inferior vermis, and a large cyst behind the vermis, communicating with the subarachnoid space, as well as hydrocephalus; the fourth ventricle was partially reserved. The second patient, also a 4-month-old boy, had achondroplasia, resulting in a narrow foramen magnum; the disturbance of the outflow of the cerebro-spinal fluid around the cisterna magna was thought to be the cause of hydrocephalus in his case. The validity of NMR was demonstrated in the diagnoses of these conditions, for a high resolution was needed in examining the complicated structure of the posterior fossa.

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

    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

  14. {sup 23}Na and {sup 87}Rb relaxation study of the structural phase transitions in the Tutton salts Na{sub 2}Zn(SO{sub 4}){sub 2}.6H{sub 2}O and Rb{sub 2}Zn(SO{sub 4}){sub 2}.6H{sub 2}O single crystals

    Lim, Ae Ran; Lee, Ju Ha [Department of Science Education, Jeonju University (Korea)

    2010-05-15

    The NMR spectrum, spin-lattice relaxation times, T{sub 1}, and the spin-spin relaxation times, T{sub 2}, for the {sup 23}Na and {sup 87}Rb nuclei in Tutton salts Na{sub 2}Zn(SO{sub 4}){sub 2}.6H{sub 2}O and Rb{sub 2}Zn(SO{sub 4}){sub 2}.6H{sub 2}O single crystals were determined by using an FT NMR spectrometer. The NMR spectrum and relaxation times for the {sup 23}Na and {sup 87}Rb nuclei in two crystals undergo significant changes near T{sub C}. These changes close to T{sub C} were the only detectable result of the structural transformation; the change is due to the fact that the electric field gradient value becomes 0. Especially, T{sub 1} and T{sub 2} for {sup 87}Rb in the Rb{sub 2}Zn(SO{sub 4}){sub 2}.6H{sub 2}O crystals at high temperature have similar values on the order of milliseconds, which is indicative of a liquid-like system. The motion giving rise to this liquid-like behavior is probably related to superionic motion at high temperature. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

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

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

    2016-01-01

    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 50–85 μm. 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 diffus...

  16. Time-efficient interleaved human (23)Na and (1)H data acquisition at 7 T.

    de Bruin, Paul W; Koken, Peter; Versluis, Maarten J; Aussenhofer, Sebastian A; Meulenbelt, Ingrid; Börnert, Peter; Webb, Andrew G

    2015-10-01

    The aim of this study was to implement and evaluate a flexible and time-efficient interleaved imaging approach for the acquisition of proton and sodium images of the human knee at 7 T within a clinically relevant timescale. A flexible software framework was established which allowed the interleaving of multiple, different, fully specific absorption ratio (SAR)-validated scans. The system was able to switch between these different scans at flexible time points. The practical example presented consists of interleaved proton (Dixon imaging and T2* mapping) and sodium (mapping the sodium content and fluid-suppressed component separately) sequences with the key idea to perform proton MRI whilst the sodium nuclei relax towards thermal equilibrium, and vice versa. Comparisons were made between these four scans being acquired sequentially in the normal mode of scanner operation and those acquired in an interleaved fashion. Images acquired in the interleaved mode were very similar to those acquired in sequential scans with no image artifacts produced by the slight intra-sequence variation in steady-state magnetization. A reduction in scanning time of almost a factor of two was established using the interleaved scans, allowing such a protocol to be completed within 30 min. Phantom experiments and in vivo scans performed in healthy volunteers and in one patient proved the basic feasibility of this approach. This approach for the interleaving of multiple proton and sodium scans, each with different contrasts, is an efficient method for the design of new practical clinical protocols for sodium MRI. PMID:26269329

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

    The use of contrast enhancing agents and the evaluation of magnetic properties of tissues, extend the diagnostic usefulness of Nuclear Magnetic Resonance (NMR) imaging. From this point of view, proton T1 (spin-lattice) relaxation times of rat tissue, following parenteral administration of Mn(II) to increase the relaxation rate (R1=1/T1), have been studied at 20 MHz. Differenciation of free (MF) and bound (Mb) manganese in these tissues was thus determined by measuring, total exogenous Mn++ ions by Atomic Absorption spectrometry and free (non protein complexed) ions by Electron Spin Resonance Analysis. From these results, the diffusion of Mn++ into various organs, was evaluated 15 min. after injection. A significant difference in the fixation of manganese occured between the liver and the pancreas with uptakes of 50% and 1% of the administration dose respectively

  18. NMR Spectroscopy and Imaging of blood-dissolved hyperpolarized 129Xe

    Hyperpolarization (HP) of noble gases, e.g. 3He and 129Xe, as a means of increasing the signal by several orders of magnitude has been widely employed in NMR over the last decades. The advantages of 129Xe are its solubility and the sensitive chemical shifts. Dissolved HP 129Xe has been of growing importance, especially since the introduction of the so-called ''xenonizer'' setups. They consist of hollow fiber membranes in oxygenators allowing for efficient and continuous dissolution into carrier agents without formation of foams or bubbling, and have been proven to be feasible for HP 129Xe MRI. The xenon dissolution process has been analyzed for various solvents including porcine blood in home-built xenonizer setups featuring different fibers. The deoxygenating effect of the xenonization on blood with defined oxygen levels could be monitored online spectroscopically. The results presented offer a more comprehensive understanding of the xenonizer and yield valuable information about xenon-blood interactions.

  19. The TMS34010 graphic processor - an architecture for image visualization in NMR tomography; O processador grafico TMS34010 - uma arquitetura para visualizacao de imagem em tomografia por RMN

    Slaets, Jan Frans Willem; Paiva, Maria Stela Veludo de; Almeida, Lirio O.B

    1989-12-31

    This abstract presents a description of the minimum system implemented with the graphic processor TMS34010, which will be used in the reconstruction, treatment and interpretation f images obtained by NMR tomography. The project is being developed in the LIE (Electronic Instrumentation Laboratory), of the Sao Carlos Chemistry and Physical Institute, S P, Brazil and is already in operation 4 refs., 7 figs.

  20. Magnetic resonance microscopy: challenges in biological imaging using a 500 MHz NMR microscope

    Proton magnetic resonance microscopy of biological systems at a field strength 11.7 T 500 MHz resonance frequency is examined from the point of view of signal-to-noise and resolution. Results from three imaging schemes are discussed. These are: (1) spin warp spin echo (SW-SE); (2) projection reconstruction using free induction signals (PR-FID); and (3) constant time with free -induction decay signals (CT-FID). The point spread functions for the various factors that contribute to resolution in each scheme are examined. The SW-SE method meets most of the challenges in biological imaging and provides T2 contrast. CT-FID is a useful method for imaging of biological solids with short T2* but long data collection times limits its usefulness for in vivo imaging. In comparison, PR-FID is shown to be capable of fast imaging using small gradients. Consequently, diffusion effects can be reduced. Using images of the head of a mouse lemur it is concluded that a signal-to-noise ratio of 5 is adequate to extract useful neuro-anatomical details in T2-weighted images. The importance of isotropically resolved three-dimensional imaging for examination of anatomical structures, developing cellular patterns, and connectivity relationships in biological systems is emphasised. (author). 54 refs., 7 figs., 1 tab

  1. Chemically selective NMR imaging of a 3-component (solid-solid-liquid) sedimenting system.

    Beyea, Steven D; Altobelli, Stephen A; Mondy, Lisa A

    2003-04-01

    A novel magnetic resonance imaging (MRI) technique which resolves the separate components of the evolving vertical concentration profiles of 3-component non-colloidal suspensions is described. This method exploits the sensitivity of MRI to chemical differences between the three phases to directly image the fluid phase and one of the solid phases, with the third phase obtained by subtraction. 19F spin-echo imaging of a polytetrafluoroethylene (PTFE) oil was interlaced with 1H SPRITE imaging of low-density polyethylene (LDPE) particles. The third phase was comprised of borosilicate glass spheres, which were not visible while imaging the PTFE or LDPE phases. The method is demonstrated by performing measurements on 2-phase materials containing only the floating (LDPE) particles, with the results contrasted to the experimental behaviour of the individual phases in the full 3-phase system. All experiments were performed using nearly monodisperse particles, with initial suspension volume fractions, phi(i), of 0.1. PMID:12713970

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

    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. PMID:27179175

  3. Noninvasive measurement of temperature distributions with high spatial resolution using quantitative imaging of NMR relaxation times

    Doran, Simon J.; Carpenter, T. Adrian; Hall, Laurance D.

    1994-07-01

    The steady-state temperature distribution within a block of cis-polybutadiene has been mapped using quantitative magnetic resonance imaging. The experiment described makes use of the temperature dependence of the nuclear magnetic longitudinal relaxation time (T1) of the polymer protons. Hot and cold water flowed through two axially mounted pipes in a cylindrical sample, creating a dipolar temperature distribution. A fast inversion recovery imaging sequence was used to map T1 values in the sample with a spatial resolution of 0.3 mm and random error of ±5% for individual pixels in the 128×128 image. The T1 values thus obtained were converted into temperatures using an empirical calibration curve, leading to a temperature resolution of ±2 K for each pixel. Using a median filter (which reduces the image resolution by a variable factor of up to 3), the data are rendered smooth enough to obtain a clear contour plot. This is compared with a finite element solution of Laplace's equation over the same domain, demonstrating that the MRI technique is reliable. A number of experimental problems limiting both the exact comparison between theory and experiment and the long-term utility of the technique are discussed.

  4. Functional studies using NMR

    This volume is based on a series of lectures delivered at a one-day teaching symposium on functional and metabolic aspects of NMR measurements held at the Middlesex Hospital Medical School on 1st September 1985 as a part of the European Nuclear Medicine Society Congress. Currently the major emphasis in medical NMR in vivo is on its potential to image and display abnormalities in conventional radiological images, providing increased contrast between normal and abnormal tissue, improved definition of vasculature, and possibly an increased potential for differential diagnosis. Although these areas are undeniably of major importance, it is probable that NMR will continue to complement conventional measurement methods. The major potential benefits to be derived from in vivo NMR measurements are likely to arise from its use as an instrument for functional and metabolic studies in both clinical research and in the everyday management of patients. It is to this area that this volume is directed

  5. Synthesis of new host molecules and applications for imaging by NMR Xe

    Magnetic Resonance Imaging (MRI) is widely used today for early medical diagnosis. During the MRI examination, the use of contrast agent allows the obtention of well resolved images. However the lack of sensibility of this technic lead to the utilization of hyper-polarized species (3He, 13C, 129Xe) in MRI. The xenon (Xe) is the more promising but due to its weak selectivity, it cannot be used in molecular imaging. So, the development and utilization of host molecules able to encapsulate the xenon and bring it to a targeted biological tissue or organ is necessary. In these conditions, during this thesis, we worked on the elaboration of such molecules, and particularly, in cryptophanes since these compounds have strong affinity for xenon and could be used as tools for MRI by hyper-polarized xenon (Hp Xe). A new route synthesis of cryptophane-111, that has the highest affinity for xenon, was developed; first functionalized derivatives of this compound have been also obtained in order to obtain the first biosensors based on cryptophane-111. The coating of specific ligand on these functionalized compounds could allow targeted MRI. A probe for hydrogen peroxide (H2O2) detection was synthesized. Hydrogen peroxide is implicated in cellular oxidative stress and present in case of neuro-degenerative diseases (Parkinson, Alzheimer). The probe obtained allowed the imaging of H2O2 by MRI Xe for the first time. nano-tubes functionalized with strong concentration of cryptophane have been synthesized in order to increase the sensitivity of the imaging technic that uses xenon. (author)

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

    Johnson, M.A, (Hammersmith Hospital, London, England); 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.

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

    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

  8. Development of NMR imaging using CEST agents: application to brain tumor in a rodent model

    The study aimed at developing saturation transfer imaging of lipoCEST contrast agents for the detection of angiogenesis in a U87 mouse brain tumor model. A lipoCEST with a sensitivity threshold of 100 pM in vitro was optimized in order to make it compatible with CEST imaging in vivo. Thanks to the development of an experimental setup dedicated to CEST imaging, we evaluated lipoCEST to detect specifically tumor angiogenesis. We demonstrated for the first time that lipoCEST visualization was feasible in vivo in a mouse brain after intravenous injection. Moreover, the integrin αvβ3 over expressed during tumor angiogenesis can be specifically targeted using a functionalized lipoCEST with RGD peptide. The specific association between the RGD-lipoCEST and its target αvβ3 was confirmed by immunohistochemical data and fluorescence microscopy. Finally, in order to tend to a molecular imaging protocol by CEST-MRI, we developed a quantification tool of lipoCEST contrast agents. This tool is based on modeling of proton exchange processes in vivo. By taking into account both B0 and B1 fields inhomogeneities which can dramatically alter CEST contrast, we showed that the accuracy of our quantification tool was 300 pM in vitro. The tool was applied on in vivo data acquired on the U87 mouse model and the maximum concentration of RGD-lipoCEST linked to their molecular targets was evaluated to 1.8 nM. (author)

  9. Brucellar spondylitis: evaluation by NMR imaging, CT and biomedical radiography - a case report

    A 50-year-old white woman presented with a 4-month history of low pain with lower extremity irradiation. Image studies showed inflammatory changes of the vertebral bodies and invertebral disk at L3-L4 level. Considering she had no previous spinal surgery, negative tests for tuberculosis and a positive history of exposure to brucellosis, further studies were done, and the serologic tests were positive for brucellar antibodies. Follow-up studies within the first two months demonstrated the progressive spinal changes in brucellar spondylitis. (author)

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

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

  11. Simultaneous Acquisition of Multi-nuclei Enhanced NMR/MRI by Solution State Dynamic Nuclear Polarization

    He, Yugui; Feng, Jiwen; Huang, Chongyang; Chen, Fang; Liu, Maili; Liu, Chaoyang

    2015-01-01

    Dynamic nuclear polarization (DNP) has become a very important hyperpolarization method because it can dramatically increase the sensitivity of nuclear magnetic resonance (NMR) of various molecules. Liquid-state DNP based on Overhauser effect is capable of directly enhancing polarizations of all kinds of nuclei in the system. The combination of simultaneous Overhauser multi-nuclei enhancements with the multi-nuclei parallel acquisitions provides a variety of important applications in both MR spectroscopy (MRS) and image (MRI). Here we present two simple illustrative examples for simultaneously enhanced multi-nuclear spectra and images to demonstrate the principle and superiority. We have observed very large simultaneous DNP enhancements for different nuclei, such as 1H and 23Na, 1H and 31P, 19F and 31P, especially for the first time to report sodium ion enhancement in liquid. We have also obtained the simultaneous imaging of 19H and 31P at low field by solution-state DNP for the first time. This method can ob...

  12. Development of 17O NMR approach for fast imaging of cerebral metabolic rate of oxygen in rat brain at high field

    Zhu, Xiao-Hong; Zhang, Yi; Tian, Run-Xia; Lei, Hao; Zhang, Nanyin; Zhang, Xiaoliang; Merkle, Hellmut; Ugurbil, Kamil; Chen, Wei(Department of Physics, State Key Laboratory of Nuclear Physics and Technology, Peking University, Beijing, 100871, China)

    2002-01-01

    A comprehensive technique was developed for using three-dimensional 17O magnetic resonance spectroscopic imaging at 9.4T for rapidly imaging the cerebral metabolic rate of oxygen consumption (CMRO2) in the rat brain during a two-min inhalation of 17O2. The CMRO2 value (2.19 ± 0.14 μmol/g/min, n = 7) was determined in the rat anesthetized with α-chloralose by independent and concurrent 17O NMR measurements of cerebral H217O content, arterial input function, and cerebral perfusion. CMRO2 values...

  13. Hyperfine splitting and isotope shift of 22Na, 23Na by high resolution laser spectroscopy at the atomic D2-line

    The hyperfine structure of D2 optical line in 22Na and 23Na has been investigated using high resolution laser spectroscopy of a well-collimated atomic beam. The hyperfine splitting constants A and B for the excited 3p2P3/2 level for both investigated sodium isotopes have been obtained. They are as follows: A(22)=7.31(4) MHz, B(22)=4.71(28) MHz, A(23)=18.572(24) MHz, B(23)=2.723(55) MHz. With these data, using the high precision MCHFF calculations for the electric field gradient at the nucleus, the electric quadrupole moment of 22Na has been deduced: Qs(22)=+0.185(11) b. The sign of Qs(22), determined for the first time, indicates a prolate nuclear deformation. Precise value of the isotope shift 22,23Na in D2-line has also been obtained

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

    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. The 12C(12C,α20Ne and 12C(12C,p23Na reactions at the Gamow peak via the Trojan Horse Method

    Tumino A.

    2016-01-01

    Full Text Available A measurement of the 12C(14N,α20Ne2H and 12C(14N,p23Na2Hreactions 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.

  16. Soils, Pores, and NMR

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

    2010-05-01

    Within Cluster A, Partial Project A1, the pore space exploration by means of Nuclear Magnetic Resonance (NMR) plays a central role. NMR is especially convenient since it probes directly the state and dynamics of the substance of interest: water. First, NMR is applied as relaxometry, where the degree of saturation but also the pore geometry controls the NMR signature of natural porous systems. Examples are presented where soil samples from the Selhausen, Merzenhausen (silt loams), and Kaldenkirchen (sandy loam) test sites are investigated by means of Fast Field Cycling Relaxometry at different degrees of saturation. From the change of the relaxation time distributions with decreasing water content and by comparison with conventional water retention curves we conclude that the fraction of immobile water is characterized by T1 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

  17. The measurement of (n,2n) cross section for 23Na at 13.3 to 18.5 MeV

    The (n,2n) cross-section for 23Na has been measured by the activation method in the energy range 13.3 to 18.5 MeV. Monoenergitic neutrons were obtained from T(d,n)4He reaction with 2.3 MeV deuteron energy. The induced specific activities were detected by a coincidence counting setup. For comparison existed data and theoretical calculation from 12∼20 MeV are also given

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

    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. - Graphical abstract: 2D contour plots with skyline projections showing recoupling of 27Al, 71Ga and 23Na to different 31P sites. - Highlights: • β-Ca3(PO4)2 has been prepared pure and also with Al3+, Ga3+ and Na+ substituents. • Multi-nuclear 1D NMR and heteronuclear X(31P) recoupling have been used. • Models for substitution correctly predict site preference and occupancy. • Progressive changes in 31P spectra have been explained. • Al3+ and Ga3+ substitute onto the Ca(5) site, and Na+ onto the Ca(4) site

  19. The radiogram including CT, nuclear medicine, ultrasonography, NMR imaging, thermography, digital radiography, radiobiology, radiation protection, the revised X-Ray Ordinance. 3. rev. ed.

    After chapters dealing with radiation physics, with the equipment and all technical aspects, the book presents a full survey of radiographic methods and examination techniques, one complete chapter discusses the mammography in particular, whereas the following chapters deal with CT, contrast media, ultrasonography, NMR imaging, and nuclear medical diagnostics. Dosimetry, radiobiology and radiation exposure of man, radiation protection and the relevant legal provisions, - the X-Ray Ordinance and the Ordinance on Protection Against Harmful Effects of Ionizing Radiation -, as well as medical aspects of radiation effects are the subjects of the last chapters. (MG) With 170 figs., 43 tabs

  20. Solid state NMR study of minerals and glasses : application of off-resonance mutation spectroscopy

    Dirken, P.

    1994-01-01

    In this thesis solid state NMR experiments on a variety of minerals and glasses are described with the aim of studying the dependence of their structure on the chemical composition. Chapter 1 introduces the reader to the subject. Chapter 2 describes 23Na and 27Al NMR experiments on a number of alkali fluoroaluminates. These substances consist of AIF6 octahedra which can be linked together to form a variety of structures, similar to the way in which Si04 and AI04 tetrahedra are linked together...

  1. Decay Properties of 266Bh and 262Db Produced in the 248Cm+23Na Reaction - Further Confirmation of the 278113 Decay Chain

    Decay properties of an isotope 266Bh and its daughter nucleus 262Db produced by the 248Cm(23Na,5n) reaction were studied by using a gas-filled recoil separator coupled with a position-sensitive semiconductor detector. 266Bh was clearly identified from the correlation of the known nuclide, 262Db. The obtained decay properties of 266Bh and 262Db are consistent with those observed in the 278113 chain by RIKEN collaboration, which provided further confirmation of the discovery of 278113.

  2. Strengths of the resonances at 436, 479, 639, 661, and 1279 keV in the $^{22}$Ne(p,$\\gamma$)$^{23}$Na reaction

    Depalo, Rosanna; Ferraro, Federico; Slemer, Alessandra; Al-Abdullah, Tariq; Akhmadaliev, Shavkat; Anders, Michael; Bemmerer, Daniel; Elekes, Zoltán; Mattei, Giovanni; Reinicke, Stefan; Schmidt, Konrad; Scian, Carlo; Wagner, Louis

    2015-01-01

    The $^{22}$Ne(p,$\\gamma$)$^{23}$Na reaction is included in the neon-sodium cycle of hydrogen burning. A number of narrow resonances in the Gamow window dominates the thermonuclear reaction rate. Several resonance strengths are only poorly known. As a result, the $^{22}$Ne(p,$\\gamma$)$^{23}$Na thermonuclear reaction rate is the most uncertain rate of the cycle. Here, a new experimental study of the strengths of the resonances at 436, 479, 639, 661, and 1279 keV proton beam energy is reported. The data have been obtained using a tantalum target implanted with $^{22}$Ne. The strengths $\\omega\\gamma$ of the resonances at 436, 639, and 661 keV have been determined with a relative approach, using the 479 and 1279 keV resonances for normalization. Subsequently, the ratio of resonance strengths of the 479 and 1279 keV resonances was determined, improving the precision of these two standards. The new data are consistent with, but more precise than, the literature with the exception of the resonance at 661 keV, which i...

  3. Development of a magnetic resonance sensor for on-line monitoring of 99Tc and 23Na in tank waste cleanup processes: Final report and implementation plan

    In response to US Department of Energy (DOE) requirements for advanced cross-cutting technologies, Argonne National Laboratory is developing an on-line sensor system for the real-time monitoring of 99Tc and 23Na in various locations throughout radioactive-waste processing facilities. Based on nuclear magnetic resonance spectroscopy, the highly automated sensor system can provide near-real-time response with minimal sampling. The technology, in the form of a flow-through nuclear-magnetic-resonance-based on-line process sensing and control system, can rapidly monitor 99Tc speciation and concentration (from 0.1 molar to 10 micro molar) in the feedstocks and eluents of radioactive-waste treatment processes. The system is nonintrusive, capable of withstanding harsh plant environments, and reasonably immune to contaminants. Furthermore, the system is capable of operating over large variations in pH, conductivity, and salinity. This document describes design parameters, results from sensitivity studies, and initial results obtained from oxidation-reduction studies that were conducted on technetium standards and waste specimens obtained from DOE's Hanford site. A cursory investigation of the system's capabilities to monitor 23Na at high concentrations are also reported, as are descriptions of site requirements, implementation recommendations, and testing techniques

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

    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 29Si NMR spectroscopy. The local structure of glass aluminosilicates as observed by NMR, is presented with analysis of the information content of 29Si spectra. A high-temperature (to 13000C) 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 (T1 and T2) measurements as a function of composition and temperature for 23Na and 29Si

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

    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. PMID:26901415

  6. Investigating the astrophysical 22Ne(p, γ23Na and 22Mg(p, γ23Al reactions with a multi-channel scattering formalism

    Fraser P. R.

    2014-03-01

    Full Text Available The reaction 22Ne(p, γ23Na is key to the NeNa cycle of stellar nucleogenesis, and better understanding of the 22Mg(p, γ23Al reaction is needed to understand the 22Na puzzle in ONe white dwarf novae. We aim to study these reactions using a multi-channel algebraic scattering (MCAS formalism for low-energy nucleon-nucleus scattering, recently expanded to investigate radiative capture. As a first step towards this goal, we here calculate the energy levels of the mass-23 (Ne, Mg, Na, Al nuclei. This is not only because the resonant structure of these nuclei are related to the astrophysical -rates of interest, but also because the interaction parameters determined for describing the energy levels are an integral part of the future calculation of the astrophysical reactions when using the MCAS scheme.

  7. Investigating the astrophysical 22Ne(p,γ)23Na and 22Mg(p,γ)23Al reactions with a multi-channel scattering formalism

    The reaction 22Ne(p,γ)23Na is key to the NeNa cycle of stellar nucleogenesis, and a better understanding of the 22Mg(p,γ)23Al reaction is needed to understand the 22Na puzzle in ONe white dwarf novae. We aim at studying these reactions using a multi-channel algebraic scattering (MCAS) formalism for low-energy nucleon-nucleus scattering, recently expanded to investigate radiative capture. As a first step towards this goal, we here calculate the energy levels of the mass-23 (Ne, Mg, Na, Al) nuclei. This is not only because the resonant structure of these nuclei are related to the astrophysical γ-rates of interest, but also because the interaction parameters determined for describing the energy levels are an integral part of the future calculation of the astrophysical reactions when using the MCAS scheme. (authors)

  8. Insight into sodium silicate glass structural organization by multinuclear NMR combined with first-principles calculations

    Short and medium range order of silica and sodium silicate glasses have been investigated from a quantitative analysis of 29Si MAS NMR and 23Na, 17O MQMAS NMR spectra. The method described enables the extraction of the underlying 17O NMR parameter distributions of bridging oxygens (BOs) and non-bridging oxygens (NBOs), and yields site populations which are confirmed by 29Si NMR data. The extracted NMR parameter distributions and their variations with respect to the glass chemical composition can then be analyzed in terms of local structural features (bond angles and bond lengths, coordination numbers) with the help of molecular dynamics simulations combined with first-principles calculations of NMR parameters. Correlations of relevant structural parameters with 23Na, 29Si and 17O NMR interactions (isotropic chemical shift δ(iso), quadrupolar coupling constant C(Q) and quadrupolar asymmetry parameter ηQ are re-examined and their applicability is discussed. These data offer better insights into the structural organization of the glass network, including both chemical and topological disorder. Adding sodium to pure silica significantly diminishes the Si-O-Si bond angles and leads to a longer mean Si-O bond length with a slight decrease of the mean Na-O bond length. Moreover, the present data are in favor of a homogeneous distribution of Na around both oxygen species in the silicate network. Finally, our approach was found to be sensitive enough to investigate the effect of addition of a small quantity of molybdenum oxide (about 1 mol%) on the 17O MAS spectrum, opening new possibilities for investigating the Mo environment in silicate glasses. (authors)

  9. NMR spectroscopy

    The book reviews the applications of NMR-spectroscopy in medicine and biology. The first chapter of about 40 pages summarizes the history of development and explains the chemical and physical fundamentals of this new and non-invasive method in an easily comprehensible manner. The other chapters summarize diagnostic results obtained with this method in organs and tissues, so that the reader will find a systematic overview of the available findings obtained in the various organ systems. It must be noted, however, that ongoing research work and new insight quite naturally will necessitate corrections to be done, as is the case here with some biochemical interpretations which would need adjustment to latest research results. NMR-spectroscopy is able to measure very fine energy differences on the molecular level, and thus offers insight into metabolic processes, with the advantage that there is no need of applying ionizing radiation in order to qualitatively or quantitatively analyse the metabolic processes in the various organ systems. (orig./DG) With 40 figs., 4 tabs

  10. Detail to totality ratio, contrast, and signal to noise ratio constraints in multi-dimensional NMR imaging

    Magnetic resonance imaging may be extended by various orders of modulation-encodings to acquire simultaneously FID data-sets representing very high dimensionality. For example, the authors may encode three spatial-position dimensions, three molecular-velocity dimensions, a chemical shift dimension, three perfusive flow dimensions, and so on. Careful observation on even the common 2D-MRI scans, however, yield some puzzling results about the behavior of contrast/detail detectability. The multi-dimensional options and capabilities of MRI arise because the physical system inherently is an interferometric data-acquisition modality. The authors propose here a new quantitative imaging descriptor, the Detail-in-Image to Totality-in-Object Ratio (DITOR), whose values impose limitations upon the system dynamic-range required. These limitations become more severe as the imaging dimensionality becomes larger, an MRI system behavior in this regard is very different from ordinary x-ray medical imaging. This paper shows several examples of phantom and human studies which may well illustrate the limitations implied by DITOR, and develops the role of stochastic noise contributions to the DITOR requirements

  11. Early history of NMR at Los Alamos

    Nuclear magnetic resonance (NMR) spectroscopy has developed into an important research tool in chemistry. More recently, NMR imaging and in vivo spectroscopy promise to produce a revolution in medicine and biochemistry. Early experiments at Los Alamos led to DOE programs involving stable isotopes of importance to biology and to medicine. These events are briefly recounted. 2 refs

  12. Most water in the tomato truss is imported through the xylem, not the phloem. An NMR flow imaging study

    Windt, C.W.; Gerkema, E.; As, van H.

    2009-01-01

    In this study, we demonstrate nuclear magnetic resonance flow imaging of xylem and phloem transport toward a developing tomato (Solanum lycopersicum) truss. During an 8-week period of growth, we measured phloem and xylem fluxes in the truss stalk, aiming to distinguish the contributions of the two t

  13. Morphological structure and water status in tulip bulbs from dormancy to active growth : visualization by NMR imaging

    Toorn, van der A.; Zemah, H.; As, van H.; Bendel, P.; Kamenetsky, R.

    2000-01-01

    Magnetic Resonance Imaging (MRI) and light and scanning electron microscopy (SEM) were used to follow time-dependent morphological changes and changes in water status of tulip bulbs (Tulipa gesneriana L., cv. ‘Apeldoorn’) during bulb storage for 12 weeks at 20 °C (non-chilled) or 4 °C (chilled) and

  14. Impact of opal nanoconfinement on electronic properties of sodium particles: NMR studies

    The 23Na Knight shift of NMR line which is highly correlated with the electron spin susceptibility and density of states at the Fermi level was studied for the sodium loaded opal. The measurements were carried out within a temperature range from 100 to 400 K for solid and melted confined sodium nanoparticles. The NMR line below 305 K was a singlet with the Knight shift reduced compared to that in bulk. Above this temperature the NMR line split reproducibly into two components with opposite trends in the Knight shift temperature dependences which evidenced a nanoconfinement-induced transformation and heterogeneity in the electron system. The findings were suggested to be related to changes in the topology of the Fermi surface

  15. Impact of opal nanoconfinement on electronic properties of sodium particles: NMR studies

    Charnaya, E.V., E-mail: charnaya@live.com [Department of Physics, National Cheng Kung University, Tainan, 70101 Taiwan (China); Institute of Physics, St. Petersburg State University, St. Petersburg, 198504 (Russian Federation); Lee, M.K. [Department of Physics, National Cheng Kung University, Tainan, 70101 Taiwan (China); MoST Instrument Center at NCKU, Tainan, 70101 Taiwan (China); Chang, L.J. [Department of Physics, National Cheng Kung University, Tainan, 70101 Taiwan (China); Kumzerov, Yu.A.; Fokin, A.V. [A.F. Ioffe Physico-Technical Institute RAS, St. Petersburg, 194021 (Russian Federation); Samoylovich, M.I. [Moscow Institute of Physics and Technology, Moscow, 141700 (Russian Federation); Bugaev, A.S. [CSR Institute of Technology “Technomash”, Moscow, 121108 (Russian Federation)

    2015-03-20

    The {sup 23}Na Knight shift of NMR line which is highly correlated with the electron spin susceptibility and density of states at the Fermi level was studied for the sodium loaded opal. The measurements were carried out within a temperature range from 100 to 400 K for solid and melted confined sodium nanoparticles. The NMR line below 305 K was a singlet with the Knight shift reduced compared to that in bulk. Above this temperature the NMR line split reproducibly into two components with opposite trends in the Knight shift temperature dependences which evidenced a nanoconfinement-induced transformation and heterogeneity in the electron system. The findings were suggested to be related to changes in the topology of the Fermi surface.

  16. Spectroscopic Studies with N-Chloroarylsulphonamides: IR and 1H, 13C and 23Na Nmr Spectra of Sodium Salts of N-Chloro-Mono- and Di-Substituted-Benzenesulphonamides, 4-X-C6H4SO2NANCl (X = H; CH3; C2H5; F; Cl; Br; I or NO2) and i-X, j-YC6H3SO2NANCl (i-X, j-Y = 2,3-(CH3)2; 2,4-(CH3)2; 2,5-(CH3)2; 2-CH3, 4-Cl; 2-CH3, 5-Cl; 3-CH3, 4-Cl; 2,4-Cl2 or 3,4-Cl2)

    Gowda; D'Souza, J. D.; Kumar, B. H. Arun

    2003-01-01

    In an effort to introduce N-chloroarylsulphonamides of different oxydising strengths, sixteen sodium salts of N-chloro-mono- and di-substituted benzenesulphonamides of the configuration, 4- X-C6H4SO2NaNCl (where X = H; CH3; C2H5; F; Cl; Br; I or NO2) and i-X, j-YC6H3SO2NaNCl (where i-X, j-Y = 2,3-(CH3)2; 2,4-(CH3)2; 2,5-(CH3)2; 2-CH3,4-Cl; 2-CH3,5-Cl; 3-CH3,4-Cl; 2,4- Cl2 or 3,4-Cl2) are prepared, characterized through their infrared spectra in the solid state and NMR spectra in solution. The υN-Cl frequencies vary in the range 950 - 927 cm-1. Effects of substitution in the benzene ring in terms of electron donating and electron withdrawing groups have been considered, and conclusions drawn. The chemical shifts of aromatic protons and carbon-13 in all the N-chloroarylsulphonamides have been calculated by adding substituent contributions to the shift of benzene. Considering the approximation employed the agreement between the calculated and experimental chemical shift values for different protons or carbon-13 is quite good. Effects of phenyl ring substitution on chemical shift values of both 1H and 13C are also graphically represented in terms of line diagrams.

  17. Brucellar spondylitis: evaluation by NMR imaging, CT and biomedical radiography - a case report; Espondilite por brucelose - relato de um caso

    Campos, Juliana C. de; Marins, Jose Luiz C.; Pereira, Rubens Marcondes [Centro Radiologico, Campinas, SP (Brazil)

    1999-03-01

    A 50-year-old white woman presented with a 4-month history of low pain with lower extremity irradiation. Image studies showed inflammatory changes of the vertebral bodies and invertebral disk at L3-L4 level. Considering she had no previous spinal surgery, negative tests for tuberculosis and a positive history of exposure to brucellosis, further studies were done, and the serologic tests were positive for brucellar antibodies. Follow-up studies within the first two months demonstrated the progressive spinal changes in brucellar spondylitis. (author)

  18. Estimation of multi-group cross section covariances for 235,238U, 239Pu, 241Am, 56Fe, 23Na and 27Al

    This paper presents the methodology used to estimate multi-group covariances for some major isotopes used in reactor physics. The starting point of this evaluation is the modelling of the neutron induced reactions based on nuclear reaction models with parameters. These latest are the vectors of uncertainties as they are absorbing uncertainties and correlation arising from the confrontation of nuclear reaction model to microscopic experiment. These uncertainties are then propagated towards multi-group cross sections. As major breakthroughs were then asked by nuclear reactor physicists to assess proper uncertainties to be used in applications, a solution is proposed by the use of integral experiment information at two different stages in the covariance estimation. In this paper, we will explain briefly the treatment of all type of uncertainties, including experimental ones (statistical and systematic) as well as those coming from validation of nuclear data on dedicated integral experiment (nuclear data oriented). We will illustrate the use of this methodology with various isotopes such as 235,238U, 239Pu, 241Am, 56Fe, 23Na and 27Al. (authors)

  19. Multinuclear high-resolution NMR study of compounds from the ternary system NaF-CaF2-AlF3: from determination to modeling of NMR parameters.

    Martineau, C; Body, M; Legein, C; Silly, G; Buzaré, J-Y; Fayon, F

    2006-12-11

    27Al and 23Na NMR satellite transition spectroscopy and 3Q magic-angle-spinning spectra are recorded for three compounds from the ternary NaF-CaF2-AlF3 system. The quadrupolar frequency nuQ, asymmetry parameter etaQ, and isotropic chemical shift deltaiso are extracted from the spectrum reconstructions for five aluminum and four sodium sites. The quadrupolar parameters are calculated using the LAPW-based ab initio code WIEN2k. It is necessary to perform a structure optimization of all compounds to ensure a fine agreement between experimental and calculated parameters. By a comparison of experimental and calculated values, an attribution of all of the 27Al and 23Na NMR lines to the crystallographic sites is achieved. High-speed 19F NMR MAS spectra are recorded and reconstructed for the same compounds, leading to the determination of 18 isotropic chemical shifts. The superposition model developed by Bureau et al. is used, allowing a bijective assignment of the 19F NMR lines to the crystallographic sites. PMID:17140229

  20. NMR exposure sensitizes tumor cells to apoptosis.

    Ghibelli, L; Cerella, C; Cordisco, S; Clavarino, G; Marazzi, S; De Nicola, M; Nuccitelli, S; D'Alessio, M; Magrini, A; Bergamaschi, A; Guerrisi, V; Porfiri, L M

    2006-03-01

    NMR technology has dramatically contributed to the revolution of image diagnostic. NMR apparatuses use combinations of microwaves over a homogeneous strong (1 Tesla) static magnetic field. We had previously shown that low intensity (0.3-66 mT) static magnetic fields deeply affect apoptosis in a Ca2+ dependent fashion (Fanelli et al., 1999 FASEBJ., 13;95-102). The rationale of the present study is to examine whether exposure to the static magnetic fields of NMR can affect apoptosis induced on reporter tumor cells of haematopoietic origin. The impressive result was the strong increase (1.8-2.5 fold) of damage-induced apoptosis by NMR. This potentiation is due to cytosolic Ca2+ overload consequent to NMR-promoted Ca2+ influx, since it is prevented by intracellular (BAPTA-AM) and extracellular (EGTA) Ca2+ chelation or by inhibition of plasma membrane L-type Ca2+ channels. Three-days follow up of treated cultures shows that NMR decrease long term cell survival, thus increasing the efficiency of cytocidal treatments. Importantly, mononuclear white blood cells are not sensitised to apoptosis by NMR, showing that NMR may increase the differential cytotoxicity of antitumor drugs on tumor vs normal cells. This strong, differential potentiating effect of NMR on tumor cell apoptosis may have important implications, being in fact a possible adjuvant for antitumor therapies. PMID:16528477

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

    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. PMID:26040416

  2. A multinuclear static NMR study of geopolymerisation

    Favier, Aurélie, E-mail: aurelie.favier@epfl.ch [Univ Paris-Est, IFSTTAR, Materials Department, 14-20 bd Newton, F-77447 Marne la Vallée Cedex 2 (France); Habert, Guillaume [Institute for Construction and Infrastructure Management, ETH Zurich, CH-8093 Zurich (Switzerland); Roussel, Nicolas [Univ Paris-Est, IFSTTAR, Materials Department, 14-20 bd Newton, F-77447 Marne la Vallée Cedex 2 (France); D' Espinose de Lacaillerie, Jean-Baptiste [Ecole Supérieure de Physique et de Chimie Indusrtrielles de la Ville de Paris (ESPCI), ParisTech, PSL Research University, Soft Matter Sciences and Engineering Laboratory SIMM, CNRS UMR 7615, 10 rue Vauquelin, F-75005 Paris (France)

    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.

  3. A multinuclear static NMR study of geopolymerisation

    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 23Na, 27Al and 29Si 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

  4. NMR studies of metabolism

    In this paper, the authors present applications of NMR to the study of different aspects of metabolism. The authors begin with a brief outline of localization methods that are commonly used to obtain in vivo NMR spectra. The authors then describe in more detail metabolic information recently obtained by NMR of perfused organs, intact animals, and humans. Previous reviews have already covered the applications of NMR to the study of metabolism in microorganisms, isolated or cultivated cells, and tumors. NMR spectroscopy of the brain, and human in vivo NMR spectroscopy have also been reviewed

  5. In situ microscopic studies on the structures and phase behaviors of SF/PEG films using solid-state NMR and Raman imaging.

    Chen, Congheng; Yao, Ting; Tu, Sidong; Xu, Weijie; Han, Yi; Zhou, Ping

    2016-06-28

    In order to overcome the drawbacks of silk fibroin (SF)-based materials, SF has been blended with some polymers. Before using the blend material, understanding of the structures and phase behaviors of the blend is thought to be essential. In this study, solid-state (13)C CP-MAS NMR and Raman imaging techniques were used to study the structures and phase behaviors of blends of SF with polyethylene glycol (PEG) at a molecular weight that varied from 2 to 20 kDa and a blend ratio of SF/PEG from 95/5 to 70/30 (w/w%) at the molecular and microscopic levels. It is found that the conformational transition of SF to the β-sheet increased as the PEG content increased, while the amount of the formed β-sheet conformers was decreased as the PEG molecular weight increased for a given content. It is also observed that SF was incompatible with PEG to some extent. The phase separation into "sea" and "island" domains took place in the SF/PEG blend films. SF was dominantly present in the "sea" domain, while PEG in the "island" domains. The conformation of SF in the interface between SF and PEG was changed to the β-sheet, while that in the protein-rich domain remained in the random coil and/or helix conformation. These observations suggest that the specifically expected materials, for example, the silk-based microspheres or scaffold materials can be manufactured by controlling the molecular weight and content of PEG in the blend system. PMID:27255417

  6. A new study of the {sup 22}Ne(p, γ){sup 23}Na reaction deep underground: Feasibility, setup and first observation of the 186 keV resonance

    Cavanna, F.; Corvisiero, P.; Ferraro, F.; Prati, P. [Universita di Genova, Dipartimento di Fisica, Genova (Italy); INFN, Sezione di Genova (Italy); Depalo, R. [INFN, Sezione di Padova, Padova (Italy); Universita di Padova, Dipartimento di Fisica e Astronomia, Padova (Italy); Menzel, M.L.; Anders, M. [Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden (Germany); Technische Universitaet Dresden, Dresden (Germany); Aliotta, M.; Bruno, C.G.; Davinson, T.; Scott, D.A. [University of Edinburgh, SUPA, School of Physics and Astronomy, Edinburgh (United Kingdom); Bemmerer, D.; Szuecs, T. [Helmholtz-Zentrum Dresden-Rossendorf (HZDR), Dresden (Germany); Broggini, C.; Menegazzo, R.; Rossi Alvarez, C. [INFN, Sezione di Padova, Padova (Italy); Caciolli, A. [INFN, Sezione di Padova, Padova (Italy); Universita di Padova, Dipartimento di Fisica e Astronomia, Padova (Italy); Di Leva, A.; Imbriani, G. [Universita degli Studi di Napoli Federico II, Dipartimento di Fisica, Napoli (Italy); INFN, Sezione di Napoli (Italy); Elekes, Z.; Fueloep, Z.; Gyuerky, G.; Somorjai, E. [Institute of Nuclear Research of the Hungarian Academy of Sciences (MTA ATOMKI), Debrecen (Hungary); Formicola, A.; Junker, M. [INFN, Laboratori Nazionali del Gran Sasso, Assergi (Italy); Gervino, G. [Universita di Torino, Dipartimento di Fisica Sperimentale, Torino (Italy); INFN, Sezione di Torino (Italy); Guglielmetti, A.; Trezzi, D. [Universita degli Studi di Milano, and INFN, Sezione di Milano, Milano (Italy); Gustavino, C. [INFN, Sezione di Roma ' ' La Sapienza' ' , Roma (Italy); Straniero, O. [Osservatorio Astronomico di Collurania, Teramo (Italy); Ruhr-Universitaet Bochum, Bochum (Germany); Strieder, F. [Ruhr-Universitaet Bochum, Bochum (Germany); Collaboration: LUNA Collaboration

    2014-11-15

    The {sup 22}Ne(p,γ){sup 23}Na reaction takes part in the neon-sodium cycle of hydrogen burning. This cycle is active in asymptotic giant branch stars as well as in novae and contributes to the nucleosythesis of neon and sodium isotopes. In order to reduce the uncertainties in the predicted nucleosynthesis yields, new experimental efforts to measure the {sup 22}Ne(p,γ){sup 23}Na cross section directly at the astrophysically relevant energies are needed. In the present work, a feasibility study for a {sup 22}Ne(p,γ){sup 23}Na experiment at the Laboratory for Underground Nuclear Astrophysics (LUNA) 400 kV accelerator deep underground in the Gran Sasso laboratory, Italy, is reported. The ion-beam-induced γ-ray background has been studied. The feasibility study led to the first observation of the E{sub p}=186 keV resonance in a direct experiment. An experimental lower limit of 0.12 x 10{sup -6} eV has been obtained for the resonance strength. Informed by the feasibility study, a dedicated experimental setup for the {sup 22}Ne(p,γ){sup 23}Na experiment has been developed. The new setup has been characterized by a study of the temperature and pressure profiles. The beam heating effect that reduces the effective neon gas density due to the heating by the incident proton beam has been studied using the resonance scan technique, and the size of this effect has been determined for a neon gas target. (orig.)

  7. NMR analysis of biodiesel

    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...

  8. 19F-decoupling of half-integer spin quadrupolar nuclei in solid-state NMR: application of frequency-swept decoupling methods.

    Chandran, C Vinod; Hempel, Günter; Bräuniger, Thomas

    2011-09-01

    In solid-state NMR studies of minerals and ion conductors, quadrupolar nuclei like (7)Li, (23)Na or (133)Cs are frequently situated in close proximity to fluorine, so that application of (19)F decoupling is beneficial for spectral resolution. Here, we compare the decoupling efficiency of various multi-pulse decoupling sequences by acquiring (19)F-decoupled (23)Na-NMR spectra of cryolite (Na(3)AlF(6)). Whereas the MAS spectrum is only marginally affected by application of (19)F decoupling, the 3Q-filtered (23)Na signal is very sensitive to it, as the de-phasing caused by the dipolar interaction between sodium and fluorine is three-fold magnified. Experimentally, we find that at moderate MAS speeds, the decoupling efficiencies of the frequency-swept decoupling schemes SW(f)-TPPM and SW(f)-SPINAL are significantly better than the conventional TPPM and SPINAL sequences. The frequency-swept sequences are therefore the methods of choice for efficient decoupling of quadrupolar nuclei with half-integer spin from fluorine. PMID:21856132

  9. Squid detected NMR and MRI at ultralow fields

    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.

  10. NMR studies of myocardial energy metabolism and ionic homeostasis during ischemia and reperfusion

    In this study several aspects of myocardial energy metabolism and ionic homeostasis during ischemia and reperfusion were investigated in isolated perfused rat hearts, regionally ischemic rabbit hearts, and ex vivo human donor hearts during long term hypothermic cardioplegia. Phosphorus-31 nuclear magnetic resonance (31P NMR) spectroscopy was used as a powerful tool to non-destructively follow the time course in changes in intracellular high-energy phosphates, (creatine phosphate and ATP), inorganic phosphate, and pH. In addition, changes in intracellular free magnesium were followed during ischemia and reperfusion. Sodium-23 (23Na) NMR spectroscopy was used to study intracellular sodium during ischemia and reperfusion and during calcium-free perfusion. (author). 495 refs.; 33 figs.; 11 tabs

  11. Applications of NMR spectroscopy to systems biochemistry.

    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. PMID:26952191

  12. NMR in solid ionic and nanoionics

    Full text: Nuclear Magnetic Resonance (NMR) is a spectroscopic technique which employs magnetic nuclei to study, among others, the dynamics of condensed matter at the atomic level. Thus, NMR has been and still is a successful instrument in the research field of solid electrolytes also known as solid ionics. This paper presents the typical NMR experiments performed in solid ionics together with some examples from nanoionics. The experiments to be discussed comprise: (i) measurements of the diffusion coefficient employing the pulsed-field gradient and the static fringe-field method; (ii) the experimentally related NMR imaging; (iii) double resonance experiments like spin-echo double resonance (SEDOR) and two-dimensional Fourier transform NMR (2D-FT NMR); (iv) various types of nuclear relaxation, in particular spin-lattice relaxation. The NMR techniques yield information on topics like the following: type and number of mobile atoms and defects, diffusion pathways (e.g. dimensionality restrictions), atomic jump frequencies, activation energy and activation volume of these movements, diffusion coefficient with activation energy and prefactor, correlation effects in atomic movements, space correlation factor, cooperative phenomena, symmetry of atomic sites, behavior at phase transitions. These applications will be illustrated by giving examples from crystals, glasses, and polymers. (author)

  13. NMR Microscopy - Micron-Level Resolution.

    Kwok, Wing-Chi Edmund

    1990-01-01

    Nuclear Magnetic Resonance Imaging (MRI) has been developed into a powerful and widely used diagnostic tool since the invention of techniques using linear magnetic field gradients in 1973. The variety of imaging contrasts obtainable in MRI, such as spin density, relaxation times and flow rate, gives MRI a significant advantage over other imaging techniques. For common diagnostic applications, image resolutions have been in the order of millimeters with slice thicknesses in centimeters. For many research applications, however, resolutions in the order of tens of microns or smaller are needed. NMR Imaging in these high resolution disciplines is known as NMR microscopy. Compared with conventional microscopy, NMR microscopy has the advantage of being non-invasive and non-destructive. The major obstacles of NMR microscopy are low signal-to-noise ratio and effects due to spin diffusion. To overcome these difficulties, more sensitive RF probes and very high magnetic field gradients have to be used. The most effective way to increase sensitivity is to build smaller probes. Microscope probes of different designs have been built and evaluated. Magnetic field gradient coils that can produce linear field gradients up to 450 Gauss/cm were also assembled. In addition, since microscope probes often employ remote capacitors for RF tuning, the associated signal loss in the transmission line was studied. Imaging experiments have been carried out in a 2.1 Tesla small bore superconducting magnet using the typical two-dimensional spin warp imaging technique. Images have been acquired for both biological and non-biological samples. The highest resolution was obtained in an image of a nerve bundle from the spinal cord of a racoon and has an in-plane resolution of 4 microns. These experiments have demonstrated the potential application of NMR microscopy to pathological research, nervous system study and non -destructive testings of materials. One way to further improve NMR microscopy is

  14. NMR at 900 MHz

    2002-01-01

    @@ An important factor in the development of solutionstate NMR has always been th e ability to produce stable and homogeneous magnetic fields. As higher and higher field strengths are reached the pressure is growing on manufacturers to produce NMR systems with greatly improved spectral resolution and signal to noise ratio. The introduction of the Varian 900 MHz INOVA system in August 2000 featuring Oxford Instruments 21.1 T magnet represents the latest pioneering development in NMR technology.

  15. NMR characterization of pituitary tumors

    Twelve patients (5 male, 7 female, mean age 37.9 +- 20) with pituitary tumors were extensively evaluated with NMR imaging using a 1.5K gauss resistive magnet. Saturation recovery (SR), inversion recovery (IR) and spin echo (SE) pulse sequences were used for qualitative characterization of the lesions. T/sub 1/ calculations were also performed for brain and pituitary. Tumor histology and endocrine status were correlated with NMR data. All tumors were large with suprasellar extension (6 with prolactin secretion, 6 without). Pituitary T/sub 1/'s ranged from .2 to .64, the mean T/sub 1/ being longer than that of brain (Brain = .4 +- .04; Pit = .48 +- .14). 3 patients with histological evidence of homogeneous adenomas had long T/sub 1/'s (0.58 +- .05). 3 patients with evidence of recent or old hemorhage into the pituitary had much shorter T/sub 1/'s (0.29 +- .12). There was no relationship between prolactin secretion and T/sub 1/. Qualitative T/sub 1/ and T/sub 2/ information can be obtained by using a combination of SR, IR, and SE images. Using this method in the patients, homogeneous adenomas had similar T/sub 1/'s and longer T/sub 2/'s compared to the brain, while patients with bleeds had shorter T/sub 1/'s and T/sub 2/'s. Image T/sub 1/ characteristics correlated well with the calculated T/sub 1/ values. The range of T/sub 1/ (and potentially T/sub 2/) values which occur in apparently similar lesions are most likely due to anatomical and pathophysiological variations in these lesions. It may be ultimately possible to separate different types of pathological processes based on NMR image T/sub 1/ and T/sub 2/ characteristics after careful comparative studies of NMR and histological data are completed. The combination of calculated T/sub 1/ and T/sub 2/ with image T/sub 1/ and T/sub 2/ information may also be useful in further characterization of lesions

  16. Optical pumping effect in absorption imaging of F=1 atomic gases

    Kim, Sooshin; Noh, Heung-Ryoul; Shin, Y

    2016-01-01

    We report our study of the optical pumping effect in absorption imaging of $^{23}$Na atoms in the $F=1$ hyperfine spin states. Solving a set of rate equations for the spin populations under 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 $^{23}$Na Bose-Einstein condensates prepared in various spin states with different probe beam pulse durations. The analytic result can be used in quantitative analysis of $F=1$ spinor condensate imaging and readily applied to other alkali atoms with $I=3/2$ nuclear spin such as $^{87}$Rb.

  17. Lectures on pulsed NMR

    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

  18. Lectures on pulsed NMR

    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

  19. Using NMR chemical shift imaging to monitor swelling and molecular transport in drug-loaded tablets of hydrophobically modified poly(acrylic acid): methodology and effects of polymer (in)solubility.

    Knöös, Patrik; Topgaard, Daniel; Wahlgren, Marie; Ulvenlund, Stefan; Piculell, Lennart

    2013-11-12

    A new technique has been developed using NMR chemical shift imaging (CSI) to monitor water penetration and molecular transport in initially dry polymer tablets that also contain small low-molecular weight compounds to be released from the tablets. Concentration profiles of components contained in the swelling tablets could be extracted via the intensities and chemical shift changes of peaks corresponding to protons of the components. The studied tablets contained hydrophobically modified poly(acrylic acid) (HMPAA) as the polymer component and griseofulvin and ethanol as hydrophobic and hydrophilic, respectively, low-molecular weight model compounds. The water solubility of HMPAA could be altered by titration with NaOH. In the pure acid form, HMPAA tablets only underwent a finite swelling until the maximum water content of the polymer-rich phase, as confirmed by independent phase studies, had been reached. By contrast, after partial neutralization with NaOH, the polyacid became fully miscible with water. The solubility of the polymer affected the water penetration, the polymer release, and the releases of both ethanol and griseofulvin. The detailed NMR CSI concentration profiles obtained highlighted the clear differences in the disintegration/dissolution/release behavior for the two types of tablet and provided insights into their molecular origin. The study illustrates the potential of the NMR CSI technique to give information of importance for the development of pharmaceutical tablets and, more broadly, for the general understanding of any operation that involves the immersion and ultimate disintegration of a dry polymer matrix in a solvent. PMID:24106807

  20. X-ray Diffraction and NMR Studies of Na3-nLinAlH6 (n=0, 1, 2) Alanates Synthesized by High-Pressure Reactive Ball Milling

    The present work combines X-ray diffraction (XRD) analysis and NMR Study of Na3-nLinAlH6 (n = 0, 1, 2) alanates synthesized by high-pressure reactive ball milling. Reactive ball-milling of alkali hydrides and Al Under it hydrogen pressure of 10 MN allows for the synthesis of Na3AlH6 and Na2LiAlH6 with a yield higher than 90 wt % When using 2 mol % of TiCl3 as a dopant The synthesis of NaLi2AlH6 compound by reactive ball Milling was not Successful The crystal Structure of both Na3AlH6 and Na2LiAlH6 phases are in agreement with previous publications. The phase compositions of the synthesized samples obtained from XRD analysis are in good agreement with the results determined from NMR refinements Without the addition of TiCl3, Na3AlH6 compound Could also be formed, although the reaction was not complete due to slow kinetics. For the magic angle spinning NMR 26Al, 23Na, 6Li, and 1H spectra, strong bulk magnetic Susceptibility (BMS) effects have been observed to affect to the same extent all detected lines and thus indicates that paramagnetic species (Ti3+ or Ti0 bearing phase) are present and well dispersed in the samples. 23Na and 27Al NMR spectra call be refined with very similar NMR parameters for both doped and non doped samples, suggesting that Ti does not incorporate the crystal structure of these materials. Accurate values of 23Na and 27Al NMR parameters and quantification of the studied phases have been obtained thanks to a new treatment allowing for taking into account the BMS effects. Finally, it good agreement of experimental 23Na and 27Al quadrupolar parameters with density functional theory using the gauge-including projector augmented wave (DFT-GIPAW) predicted values is obtained. This work validates the use of DFT-GIPAW calculations for future NMR studies. (authors)

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

    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. PMID:24173236

  2. Solid-State NMR Examination of Alteration Layers on a Nuclear Waste Glasses

    Murphy, Kelly A. [Penn State Univ., State College, PA (United States). Dept. of Chemistry; Washton, Nancy M. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Science Lab.; Ryan, Joseph V. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Pantano, Carlo G. [Penn State Univ., State College, PA (United States). Dept. of Materials Science and Engineering; Mueller, Karl T. [Penn State Univ., State College, PA (United States). Dept. of Chemistry; Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Science Lab.

    2013-06-01

    Solid-state NMR is a powerful tool for probing the role and significance of alteration layers in determining the kinetics for the corrosion of nuclear waste glass. NMR methods are used to probe the chemical structure of the alteration layers to elucidate information about their chemical complexity, leading to increased insight into the mechanism of altered layer formation. Two glass compositions were examined in this study: a glass preliminarily designed for nuclear waste immobilization (called AFCI) and a simplified version of this AFCI glass (which we call SA1R). Powdered glasses with controlled and known particles sizes were corroded at 90 °C for periods of one and five months with a surface-area to solution-volume ratio of 100,000 m-1. 1H-29Si CP-CPMG MAS NMR, 1H-27Al CP-MAS NMR, 1H-11B CP-MAS NMR, and 1H-23Na CP-MAS NMR experiments provide isolated structural information about the alteration layers, which differ in structure from that of the pristine glass. Both glasses studied here develop alteration layers composed primarily of [IV]Si species. Aluminum is also retained in the alteration layers, perhaps facilitated by the observed increase in coordination from [IV]Al to [VI]Al, which correlates with a loss of charge balancing cations. 1H-11B CP-MAS NMR observations indicated a retention of boron in hydrated glass layers, which has not been characterized by previous work. For the AFCI glass, secondary phase formation begins during the corrosion times considered here, and these neophases are detected within the alteration layers. We identify precursor phases as crystalline sodium metasilicates. An important finding is that layer thickness depends on the length of the initial alteration stages and varies only with respect to silicon species during the residual rate regime.

  3. Solid-State NMR Examination of Alteration Layers on a Nuclear Waste Glasses

    Solid-state NMR is a powerful tool for probing the role and significance of alteration layers in determining the kinetics for the corrosion of nuclear waste glass. NMR methods are used to probe the chemical structure of the alteration layers to elucidate information about their chemical complexity, leading to increased insight into the mechanism of altered layer formation. Two glass compositions were examined in this study: a glass preliminarily designed for nuclear waste immobilization (called AFCI) and a simplified version of this AFCI glass (which we call SA1R). Powdered glasses with controlled and known particles sizes were corroded at 90 °C for periods of one and five months with a surface-area to solution-volume ratio of 100,000 m-1. 1H-29Si CP-CPMG MAS NMR, 1H-27Al CP-MAS NMR, 1H-11B CP-MAS NMR, and 1H-23Na CP-MAS NMR experiments provide isolated structural information about the alteration layers, which differ in structure from that of the pristine glass. Both glasses studied here develop alteration layers composed primarily of [IV]Si species. Aluminum is also retained in the alteration layers, perhaps facilitated by the observed increase in coordination from [IV]Al to [VI]Al, which correlates with a loss of charge balancing cations. 1H-11B CP-MAS NMR observations indicated a retention of boron in hydrated glass layers, which has not been characterized by previous work. For the AFCI glass, secondary phase formation begins during the corrosion times considered here, and these neophases are detected within the alteration layers. We identify precursor phases as crystalline sodium metasilicates. An important finding is that layer thickness depends on the length of the initial alteration stages and varies only with respect to silicon species during the residual rate regime

  4. Development of a magnetic resonance sensor for on-line monitoring of {sup 99}Tc and {sup 23}Na in tank waste cleanup processes: Final report and implementation plan

    Dieckman, S. L.; Jendrzejczyk, J. A.; Raptis, A. C.

    2000-02-24

    In response to US Department of Energy (DOE) requirements for advanced cross-cutting technologies, Argonne National Laboratory is developing an on-line sensor system for the real-time monitoring of {sup 99}Tc and {sup 23}Na in various locations throughout radioactive-waste processing facilities. Based on nuclear magnetic resonance spectroscopy, the highly automated sensor system can provide near-real-time response with minimal sampling. The technology, in the form of a flow-through nuclear-magnetic-resonance-based on-line process sensing and control system, can rapidly monitor {sup 99}Tc speciation and concentration (from 0.1 molar to 10 micro molar) in the feedstocks and eluents of radioactive-waste treatment processes. The system is nonintrusive, capable of withstanding harsh plant environments, and reasonably immune to contaminants. Furthermore, the system is capable of operating over large variations in pH, conductivity, and salinity. This document describes design parameters, results from sensitivity studies, and initial results obtained from oxidation-reduction studies that were conducted on technetium standards and waste specimens obtained from DOE's Hanford site. A cursory investigation of the system's capabilities to monitor {sup 23}Na at high concentrations are also reported, as are descriptions of site requirements, implementation recommendations, and testing techniques.

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

    Edén, Mattias

    2010-05-01

    Three two-dimensional (2D) NMR homonuclear correlation techniques invoking double-quantum (2Q) filtration of the central transitions of half-integer spins are evaluated numerically and experimentally. They correlate directly detected single-quantum (1Q) coherences in the t(2) domain with either of 1Q, two-spin 2Q or single-spin multiple-quantum coherence-evolutions in the indirect (t(1)) dimension. We employ experimental (23)Na and (27)Al NMR on sodium sulfite and the natural mineral sillimanite (SiAl(2)O(5)), in conjunction with simulated 2D spectra from pairs of dipolar-recoupled spins-3/2 and 5/2 at different external magnetic fields, to compare the correlation strategies from the viewpoints of 2D spectral resolution, signal sensitivity, implementational aspects and their relative merits for establishing internuclear proximities and quadrupolar tensor orientations. PMID:20202872

  6. X-ray and MAS NMR characterization of the thermal transformation of Li(Na)-Y zeolite to lithium aluminosilicates

    The high temperature thermal transformation of Li-exchanged Na-Y zeolite has been investigated by X-ray diffraction and /sup 29/Si MAS NMR studies. At 7000C, the zeolite was transformed into an amorphous phase and upon further heating to 8000C, formation of lithium aluminosilicate with high-quartz structure, in addition to an amorphous phase, was noted. When heated above 9000C, the high-quartz structure was transformed into a β-spodumene related solid solution. X-ray and MAS NMR studies indicate the β-spodumene solid solution formed has the composition close to (Li/sub 0.23/Na/sub 0.06/)A iota /sub 0.29/Si/sub 0.71/O/sub 2/, which is in agreement with chemical analysis

  7. Responsibilities of NMR application in research

    NMR investigations in clinical and/or scientific studies may be covered by different radiation protection regulations and legal liability responsibilities. The following topics are discussed: incidental findings, applicability to the situation in radiological hospitals, explicit abandonment of probands/patients, liability of the clinic, liability with respect to contrast agent administration, creation of additional imaging, attendance of radiologists, information requirements.

  8. Renal transplant NMR

    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

  9. NMR methods for the investigation of structure and transport

    Extensive derivations of required fundamental relations for readers with engineering background New applications based on MRI, PGSE-NMR, and low-field NMR New concepts in quantitative data evaluation and image analysis Methods of nuclear magnetic resonance (NMR) are increasingly applied in engineering sciences. The book summarizes research in the field of chemical and process engineering performed at the Karlsruhe Institute of Technology (KIT). Fundamentals of the methods are exposed for readers with an engineering background. Applications cover the fields of mechanical process engineering (filtration, solid-liquid separation, powder mixing, rheometry), chemical process engineering (trickle-bed reactor, ceramic sponges), bioprocess engineering (biofilm growth), and food process engineering (microwave heating, emulsions). Magnetic Resonance Imaging (MRI) as well as low-field NMR are covered with notes on hardware. Emphasis is placed on quantitative data analysis and image processing. (orig.)

  10. NMR methods for the investigation of structure and transport

    Hardy, Edme H. [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Mechanische Verfahrenstechnik und Mechanik

    2012-07-01

    Extensive derivations of required fundamental relations for readers with engineering background New applications based on MRI, PGSE-NMR, and low-field NMR New concepts in quantitative data evaluation and image analysis Methods of nuclear magnetic resonance (NMR) are increasingly applied in engineering sciences. The book summarizes research in the field of chemical and process engineering performed at the Karlsruhe Institute of Technology (KIT). Fundamentals of the methods are exposed for readers with an engineering background. Applications cover the fields of mechanical process engineering (filtration, solid-liquid separation, powder mixing, rheometry), chemical process engineering (trickle-bed reactor, ceramic sponges), bioprocess engineering (biofilm growth), and food process engineering (microwave heating, emulsions). Magnetic Resonance Imaging (MRI) as well as low-field NMR are covered with notes on hardware. Emphasis is placed on quantitative data analysis and image processing. (orig.)

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

    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. (paper)

  12. NMR Aerosolomics: Novel NMR Method for Organic Aerosol Analysis

    Horník, Štěpán; Schwarz, Jaroslav; Sýkora, Jan

    - : -, 2015, s. 162. ISBN N. [Small Molecule NMR Conference - SMASH 2015. Baveno (IT), 20.09.2015-23.09.2015] Institutional support: RVO:67985858 Keywords : aerosol * analysis * NMR Subject RIV: CC - Organic Chemistry

  13. Cutoff-Free Traveling Wave NMR

    Tang, Joel A; Sodickson, Daniel K; Jerschow, Alexej

    2011-01-01

    Recently, the concept of traveling-wave NMR/MRI was introduced by Brunner et al. (Nature 457, 994-992 (2009)), who demonstrated MR images acquired using radio frequency (RF) waves propagating down the bore of an MR scanner. One of the significant limitations of this approach is that each bore has a specific cutoff frequency, which can be higher than most Larmor frequencies of at the magnetic field strengths commonly in use for MR imaging and spectroscopy today. We overcome this limitation by using a central conductor in the waveguide and thereby converting it to a transmission line (TL), which has no cutoff frequency. Broadband propagation of waves through the sample thus becomes possible. NMR spectra and images with such an arrangement are presented and genuine traveling wave behavior is demonstrated. In addition to facilitating NMR spectroscopy and imaging in smaller bores via traveling waves, this approach also allows one to perform multinuclear traveling wave experiments (an example of which is shown), an...

  14. Medical imaging

    This didactical book presents the medical imaging techniques: radiography, scanner, nuclear magnetic resonance (NMR). Examples are given for the most common pathologies in all domains of medicine. (J.S.)

  15. NMR a substitute for CT

    The possibility that NMR (Nuclear Magnetic Resonance) can be a substitute for CT (Computerized Tomography), is described. NMR focus on the nuclei in the atoms of certain elements, for example hydrogen

  16. International symposium on NMR spectroscopy

    The publication consists of 32 papers and presentations from the field of NMR spectroscopy applications submitted to the International Symposium on NMR Spectroscopy held at Smolenice between 29 Sep and 3 Oct, 1980. (B.S.)

  17. NMR crystallography of polylactide

    Czernek, Jiří

    Prague : Institute of Macromolecular Chemistry AS CR, v. v. i, 2013. s. 60. ISBN 978-80-85009-77-4. [European Symposium on Polymer Spectroscopy /19./ - ESOPS19. Prague Meeting on Macromolecules /77./. 07.07.2013-11.07.2013, Prague] Institutional support: RVO:61389013 Keywords : NMR crystallography * polylactide Subject RIV: CD - Macromolecular Chemistry

  18. Exploring the limits to spatially resolved NMR

    Gaedke, Achim; Nestle, Nikolaus [TU Darmstadt, Institute of Condensed Matter Physics (Germany)

    2010-07-01

    Recent advances in MRI have demonstrated resolutions down to 1 {mu}m. Magnetic resonance force microscopy has the potential to reach sensitivity for single nuclear spins. Given these numbers, in vivo imaging of single cells or even biomacromolecules may seem possible. However, for in vivo applications, there are fundamental differences in the contrast mechanisms compared to MRI at macroscopic scales as the length scale of of molecular self-diffusion exceeds that of the spatial resolution on the NMR time scale. Those effects - which are fundamentally different from the echo attenuation in field gradient NMR - even may lead to general limitations on the spatial resolution achievable in aqueous systems with high water content. In our contribution, we explore those effects on a model system in a high-resolution stray-field imaging setup. In addition to experimental results, simulations based on the Bloch-Torrey equation are presented.

  19. Development in NMR spiral imaging and application to the assessment of the permeability of the blood-brain barrier on 2 models of brain tumors

    The results presented in this work were obtained as part of methodological developments in magnetic resonance imaging. First of all, the setting of the rapid imaging technique using a k-space sampling scheme along a variable density spiral is described. Numerical simulations were used to optimize the acquisitions parameters and to compare different reconstruction techniques. An original approach to calibrate the k-space trajectory was proposed. Then, spiral imaging was used to implement a method to measure the blood brain barrier permeability to Gd-DOTA. This protocol was combined to blood volume and vessel size index measurements using Sinerem. The results obtained highlighted differences between the microvascular parameters measured on C6 and RG2 tumor models. The presence of Sinerem induces a mean decrease of the transfer constant across the vascular wall (Ktrans), in the tumor, of 24 per cent. This study also showed extravasation of the Sinerem, during the first two hours after the product injection, only in the RG2 tumors. (author)

  20. 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

    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.

  1. SQUID detected NMR in microtesla magnetic fields

    Matlachov, Andrei N.; Volegov, Petr L.; Espy, Michelle A.; George, John S.; Kraus, Robert H.

    2004-09-01

    We have built an NMR system that employs a superconducting quantum interference device (SQUID) detector and operates in measurement fields of 2-25 μT. The system uses a pre-polarizing field from 4 to 30 mT generated by simple room-temperature wire-wound coils that are turned off during measurements. The instrument has an open geometry with samples located outside the cryostat at room-temperature. This removes constraints on sample size and allows us to obtain signals from living tissue. We have obtained 1H NMR spectra from a variety of samples including water, mineral oil, and a live frog. We also acquired gradient encoded free induction decay (FID) data from a water-plastic phantom in the μT regime, from which simple projection images were reconstructed. NMR signals from samples inside metallic containers have also been acquired. This is possible because the penetration skin depth is much greater at the low operating frequencies of this system than for conventional systems. Advantages to ultra-low field NMR measurements include lower susceptibility artifacts caused by high strength polarizing and measurement fields, and negligible line width broadening due to measurement field inhomogeneity, reducing the burden of producing highly homogeneous fields.

  2. The automatic NMR gaussmeter

    The paper describes the automatic gaussmeter operating according to the principle of nuclear magnetic resonance. There have been discussed the operating principle, the block diagram and operating parameters of the meter. It can be applied to measurements of induction in electromagnets of wide-line radio-spectrometers EPR and NMR and in calibration stands of magnetic induction values. Frequency range of an autodyne oscillator from 0,6 up to 86 MHz for protons is corresponding to the field range from 0.016 up to 2T. Applicaton of other nuclei, such as 7Li and 2D is also foreseen. The induction measurement is carried over automatically, and the NMR signal and value of measured induction are displayed on a monitor screen. (author)

  3. NMR of unfolded proteins

    Amarnath Chtterjee; Ashutosh Kumar; Jeetender Chugh; Sudha Srivastava; Neel S Bhavesh; Ramakrishna V Hosur

    2005-01-01

    In the post-genomic era, as more and more genome sequences are becoming known and hectic efforts are underway to decode the information content in them, it is becoming increasingly evident that flexibility in proteins plays a crucial role in many of the biological functions. Many proteins have intrinsic disorder either wholly or in specific regions. It appears that this disorder may be important for regulatory functions of the proteins, on the one hand, and may help in directing the folding process to reach the compact native state, on the other. Nuclear magnetic resonance (NMR) has over the last two decades emerged as the sole, most powerful technique to help characterize these disordered protein systems. In this review, we first discuss the significance of disorder in proteins and then describe the recent developments in NMR methods for their characterization. A brief description of the results obtained on several disordered proteins is presented at the end.

  4. NMR, water and plants

    This thesis describes the application of a non-destructive pulsed proton NMR method mainly to measure water transport in the xylem vessels of plant stems and in some model systems. The results are equally well applicable to liquid flow in other biological objects than plants, e.g. flow of blood and other body fluids in human and animals. The method is based on a pulse sequence of equidistant π pulses in combination with a linear magnetic field gradient. (Auth.)

  5. Noninvasive study of high-energy phosphate metabolism in human heart by depth-resolved T P NMR spectroscopy

    Bottomley, P.A.

    1985-08-23

    Phosphorus-31 nuclear magnetic resonance (NMR) spectra showing the relative concentrations of high-energy phosphate metabolites have been recorded noninvasively from the human heart in vivo. Spectral data were spatially localized by combining a pulsed magnetic field gradient with surface NMR excitation-detection coils. The location of the selected spectral region was determined by conventional proton NMR imaging immediately before examination by phosphorus-31 NMR spectroscopy. 22 references, 3 figures.

  6. NMR with excitation modulated by Frank sequences.

    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. PMID:19386525

  7. NMR molecular photography

    Khitrin, Anatoly K.; Ermakov, Vladimir L.; Fung, B M

    2002-01-01

    A procedure is described for storing a 2D pattern consisting of 32x32 = 1024 bits in a spin state of a molecular system and then retrieving the stored information as a stack of NMR spectra. The system used is a nematic liquid crystal, the protons of which act as spin clusters with strong intramolecular interactions. The technique used is a programmable multi-frequency irradiation with low amplitude. When it is applied to the liquid crystal, a large number of coherent long-lived 1H response si...

  8. Automatic Tuning Matching Cycler (ATMC) in situ NMR spectroscopy as a novel approach for real-time investigations of Li- and Na-ion batteries

    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. X-Nuclei NMR Self-Diffusion Studies in Mesoporous Silica Foam and Microporous MOF CuBTC

    Frank Stallmach

    2012-04-01

    Full Text Available A standard X-observe NMR probe was equipped with a z-gradient coil to enable high-sensitivity pulsed field gradient NMR diffusion studies of Li+ and Cs+ cations of aqueous salt solutions in a high-porosity mesocellular silica foam (MCF and of CO2 adsorbed in metal-organic frameworks (MOF. The coil design and the necessary probe modifications, which yield pulsed field gradients of up to ±16.2Tm−1, are introduced. The system was calibrated at 2H resonance frequency and successfully applied for diffusion studies at 7Li, 23Na, 13C and 133Cs frequencies. Significant reductions of the diffusivities of the cations in LiClac and CsClac solution introduced into MCFs are observed. By comparison of the diffusion behavior with the bulk solutions, a tortuosity of the silica foam of 4.5 ± 0.6 was derived. Single component self-diffusion of CO2 and CH4 (measured by 1H NMR as well as self-diffusion of the individual components in CO2/CH4 mixtures was studied in the MOF CuBTC. The experimental results confirm high mobilities of the adsorbed gases and trends for diffusion separation factors predicted by MD simulations.

  10. 二维双量子魔角旋转核磁共振技术在功能材料研究中的应用%Application of Two-dimensional Double Quantum Magic Angle Spinning NMR to Solid Functional Materials

    喻志武; 郑安民; 王强; 邓风

    2011-01-01

    简要介绍了二维双量子魔角旋转核磁共振(DQ-MAS NMR)新技术的基本原理,详细综述了1H,19F,29Si,31P和27 Al DQ-MAS NMR技术在各种固体功能材料中的应用,并展望了该技术的应用前景.%Solid-state NMR spectroscopy has been developed into a powerful tool for obtaining detailed information about the structure, ordering, and dynamics in various kinds of inorganic organic, and biological materials. Two-dimensional double quantum magic angle spinning(DQ-MAS) NMR experiment is a useful method for probing spatial proximities or interactions between nuclei in various solid materials. During the past decade, the DQ-MAS NMR technique has been successfully applied not only to spin I = 1/2 nuclei, such as 1H, 19F, 29Si' 31p, but also to quadrupolar nuclei system, such as 27Al, 11B and 23Na. In this paper, we briefly introduce the principle of two-dimensional DQ-MAS NMR, and review the recent applications of DQ-MAS NMR technique(including 1H, 19F, 29Si, 31p and 27Al DQ-MAS NMR) to various solid functional materials. In addition, a perspective for the future of DQ-MAS NMR is also given.

  11. NMR spectrometers as "magnetic tongues"

    Malmendal, Anders; Amoresano, Claudia; Trotta, Roberta;

    2011-01-01

    the analyzed samples based on their chemical composition. We were able to correlate the NMR metabolomic fingerprints recorded for canned tomato samples to the sensory descriptors bitterness, sweetness, sourness, saltiness, tomato and metal taste, redness, and density, suggesting that NMR might be a very useful...

  12. NMR in pulsed magnetic field

    Abou-Hamad, Edy

    2011-09-01

    Nuclear magnetic resonance (NMR) experiments in pulsed magnetic fields up to 30.4 T focused on 1H and 93Nb nuclei are reported. Here we discuss the advantage and limitation of pulsed field NMR and why this technique is able to become a promising research tool. © 2011 Elsevier Inc. All Rights Reserved.

  13. Rheology of Blood by NMR

    Han, Song-I.; Marseille, Oliver; Gehlen, Christa; Blümich, Bernhard

    2001-09-01

    Pipe flow of blood in tubes of 1 and 7 mm inner diameter, respectively, was investigated employing two-dimensional NMR velocity imaging and PFG propagator measurements at different Reynolds numbers between 10 and 3500. The results are compared to flow of a water/glycerol mixture of matching viscosity under identical conditions. The transition from laminar to turbulent flow is observed by both a flattening of the velocity profile and a change of the propagator shape. For blood flow this transition is found to be shifted toward higher Reynolds numbers as compared to the transition of the water/glycerol mixture. This observation is in agreement with predictions from hydraulic measurements and is a consequence of the non-Newtonian flow characteristics of blood as a suspension of erythrocytes and plasma. Likewise, a deviation from the laminar flow condition is observed for blood at low Reynolds numbers between 10 and 100. This phenomenon is unknown for Newtonian liquids and is explained by the onset of a geometrical arrangement of the erythrocytes, the so-called rouleaux effect.

  14. Structural Biology: Practical NMR Applications

    Teng, Quincy

    2005-01-01

    This textbook begins with an overview of NMR development and applications in biological systems. It describes recent developments in instrument hardware and methodology. Chapters highlight the scope and limitation of NMR methods. While detailed math and quantum mechanics dealing with NMR theory have been addressed in several well-known NMR volumes, chapter two of this volume illustrates the fundamental principles and concepts of NMR spectroscopy in a more descriptive manner. Topics such as instrument setup, data acquisition, and data processing using a variety of offline software are discussed. Chapters further discuss several routine stategies for preparing samples, especially for macromolecules and complexes. The target market for such a volume includes researchers in the field of biochemistry, chemistry, structural biology and biophysics.

  15. Fundamentals of Protein NMR Spectroscopy

    Rule, Gordon S

    2006-01-01

    NMR spectroscopy has proven to be a powerful technique to study the structure and dynamics of biological macromolecules. Fundamentals of Protein NMR Spectroscopy is a comprehensive textbook that guides the reader from a basic understanding of the phenomenological properties of magnetic resonance to the application and interpretation of modern multi-dimensional NMR experiments on 15N/13C-labeled proteins. Beginning with elementary quantum mechanics, a set of practical rules is presented and used to describe many commonly employed multi-dimensional, multi-nuclear NMR pulse sequences. A modular analysis of NMR pulse sequence building blocks also provides a basis for understanding and developing novel pulse programs. This text not only covers topics from chemical shift assignment to protein structure refinement, as well as the analysis of protein dynamics and chemical kinetics, but also provides a practical guide to many aspects of modern spectrometer hardware, sample preparation, experimental set-up, and data pr...

  16. NMR methodologies for studying mitochondrial bioenergetics.

    Alves, Tiago C; Jarak, Ivana; Carvalho, Rui A

    2012-01-01

    Nuclear magnetic resonance (NMR) spectroscopy is a technique with an increasing importance in the study of metabolic diseases. Its initial important role in the determination of chemical structures (1, 2) has been considerably overcome by its potential for the in vivo study of metabolism (3-5). The main characteristic that makes this technique so attractive is its noninvasiveness. Only nuclei capable of transitioning between energy states, in the presence of an intense and constant magnetic field, are studied. This includes abundant nuclei such as proton ((1)H) and phosphorous ((31)P), as well as stable isotopes such as deuterium ((2)H) and carbon 13 ((13)C). This allows a wide range of applications that vary from the determination of water distribution in tissues (as obtained in a magnetic resonance imaging scan) to the calculation of metabolic fluxes under ex vivo and in vivo conditions without the need to use radioactive tracers or tissue biopsies (as in a magnetic resonance spectroscopy (MRS) scan). In this chapter, some technical aspects of the methodology of an NMR/MRS experiment as well as how it can be used to study mitochondrial bioenergetics are overviewed. Advantages and disadvantages of in vivo MRS versus high-resolution NMR using proton high rotation magic angle spinning (HRMAS) of tissue biopsies and tissue extracts are also discussed. PMID:22057574

  17. Discrete analysis of stochastic NMR.II

    Wong, S. T. S.; Rods, M. S.; Newmark, R. D.; Budinger, T. F.

    Stochastic NMR is an efficient technique for high-field in vivo imaging and spectroscopic studies where the peak RF power required may be prohibitively high for conventional pulsed NMR techniques. A stochastic NMR experiment excites the spin system with a sequence of RF pulses where the flip angles or the phases of the pulses are samples of a discrete stochastic process. In a previous paper the stochastic experiment was analyzed and analytic expressions for the input-output cross-correlations, average signal power, and signal spectral density were obtained for a general stochastic RF excitation. In this paper specific cases of excitation with random phase, fixed flip angle, and excitation with two random components in quadrature are analyzed. The input-output cross-correlation for these two types of excitations is shown to be Lorentzian. Line broadening is the only spectral distortion as the RF excitation power is increased. The systematic noise power is inversely proportional to the number of data points N used in the spectral reconstruction. The use of a complete maximum length sequence (MLS) may improve the signal-to-systematic-noise ratio by 20 dB relative to random binary excitation, but peculiar features in the higher-order autocorrelations of MLS cause noise-like distortion in the reconstructed spectra when the excitation power is high. The amount of noise-like distortion depends on the choice of the MLS generator.

  18. Images

    National Aeronautics and Space Administration — Images for the website main pages and all configurations. The upload and access points for the other images are: Website Template RSW images BSCW Images HIRENASD...

  19. Constants of NMR spectra

    The NMR (nuclear magnetic resonance) spectroscopy is a method for studying matter. It has been developed in a lot of fields of physics, physical chemistry, chemistry and biology. It concerns both the solid state and the liquid state. The study in solution of synthesis organic molecules or of organic molecules of natural origin and of biological molecules is particularly stressed on but it is also possible to study inorganic molecules. The originality of this method is to give both data on each atoms of the studied structure, on the atoms sequence in this structure, on the conformation and on the related configurations. It allows to reveal the interactions between separate molecules too. It is also a precious tool for the analysis of molecular movements. The development of this method for the study of condensed phases is particularly studied nowadays and the data obtained are for a lot of fields as acute as those obtained at the liquid state. (O.M.)

  20. Measurement of vorticity diffusion by NMR microscopy.

    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. PMID:20189854

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

    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. PMID:26824406

  2. Quantitative Sodium MR Imaging at 7 T: Initial Results and Comparison with Diffusion-weighted Imaging in Patients with Breast Tumors.

    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 correlated (r = -0.881, P correlation with ADC. (©) RSNA, 2016 Online supplemental material is available for this article. PMID:27007803

  3. Use of NMR as an online sensor in industrial processes; Uso da RMN como um sensor online em processos industriais

    Andrade, Fabiana Diuk de [Universidade de Sao Paulo (IQSC/USP), Sao Carlos, SP (Brazil). Inst. de Quimica; Colnago, Luiz Alberto, E-mail: colnago@cnpdia.embrapa.br [Embrapa Instrumentacao, Sao Carlos, SP (Brazil)

    2012-07-01

    Nuclear magnetic resonance (NMR) is one of the most versatile analytical techniques for chemical, biochemical and medical applications. Despite this great success, NMR is seldom used as a tool in industrial applications. The first application of NMR in flowing samples was published in 1951. However, only in the last ten years Flow NMR has gained momentum and new and potential applications have been proposed. In this review we present the historical evolution of flow or online NMR spectroscopy and imaging, and current developments for use in the automation of industrial processes. (author)

  4. NMR Methods, Applications and Trends for Groundwater Evaluation and Management

    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

  5. Two dimensional solid state NMR

    This thesis illustrates, by discussing some existing and newly developed 2D solid state experiments, that two-dimensional NMR of solids is a useful and important extension of NMR techniques. Chapter 1 gives an overview of spin interactions and averaging techniques important in solid state NMR. As 2D NMR is already an established technique in solutions, only the basics of two dimensional NMR are presented in chapter 2, with an emphasis on the aspects important for solid spectra. The following chapters discuss the theoretical background and applications of specific 2D solid state experiments. An application of 2D-J resolved NMR, analogous to J-resolved spectroscopy in solutions, to natural rubber is given in chapter 3. In chapter 4 the anisotropic chemical shift is mapped out against the heteronuclear dipolar interaction to obtain information about the orientation of the shielding tensor in poly-(oxymethylene). Chapter 5 concentrates on the study of super-slow molecular motions in polymers using a variant of the 2D exchange experiment developed by us. Finally chapter 6 discusses a new experiment, 2D nutation NMR, which makes it possible to study the quadrupole interaction of half-integer spins. 230 refs.; 48 figs.; 8 tabs

  6. NMR for chemists and biologists

    Carbajo, Rodrigo J

    2013-01-01

    This book intends to be an easy and concise introduction to the field of nuclear magnetic resonance or NMR, which has revolutionized life sciences in the last twenty years. A significant part of the progress observed in scientific areas like Chemistry, Biology or Medicine can be ascribed to the development experienced by NMR in recent times. Many of the books currently available on NMR deal with the theoretical basis and some of its main applications, but they generally demand a strong background in Physics and Mathematics for a full understanding. This book is aimed to a wide scientific audie

  7. Annual reports on NMR spectroscopy

    Webb, Graham A; McCarthy, M J

    1995-01-01

    Over recent years, no other technique has grown to such importance as that of NMR spectroscopy. It is used in all branches of science where precise structural determination is required and where the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a means for the specialist and non-specialist alike to become familiar with new applications of the technique in all branches of chemistry, including biochemistry, and pharmaceutics. This volume focuses on theoretical aspects of NMR nuclear shielding and on applications of

  8. Nuclear spin noise imaging

    Müller, Norbert; Jerschow, Alexej

    2006-01-01

    NMR images were obtained from the proton spin noise signals of a water-containing phantom, which was placed in the highly tuned, low-noise resonant circuit of a cryogenically cooled NMR probe in the presence of systematically varied magnetic field gradients. The spatially resolved proton spin density was obtained from the raw signal by a modified projection–reconstruction protocol. Although spin noise imaging is inherently less sensitive than conventional magnetic resonance imaging, it afford...

  9. Integrative NMR for biomolecular research.

    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 ). PMID:27023095

  10. Optical pumping and xenon NMR

    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.

  11. Optical pumping and xenon NMR

    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.

  12. Optical pumping and xenon NMR

    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

  13. Localized double-quantum-filtered 1H NMR spectroscopy

    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.

  14. Spatially resolved spectroscopy using tapered stripline NMR

    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.

  15. Nondestructive NMR technique for moisture determination in radioactive materials

    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 (3H, 3He, 239Pu, 241Pu) in Spent nuclear fuels and packaging materials. The detection of moisture by using a toroid cavity NMR imager has been demonstrated in SiO2 and UO2 systems. The total moisture was quantified by means of 1H NMR detection of H2O 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

  16. Nondestructive NMR technique for moisture determination in radioactive materials.

    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.

  17. Sodium transport and phosphorus metabolism in sodium-loaded yeast: simultaneous observation with sodium-23 and phosphorus-31 NMR spectroscopy in vivo

    Simultaneous 23Na and 31P NMR spectra were obtained from a number of yeast suspensions. Prior to NMR spectroscopy, the yeast cells were Na-loaded: this replaced some of the intracellular K+ with Na+. These cells were also somewhat P-deficient in that they had no polyphosphate species visible in the 31P NMR spectrum. In the NMR experiments, the Na-loaded cells were suspended in media which contained inorganic phosphate, very low Na+, a shift reagent for the Na+ NMR signal. The media differed as to whether dioxygen, glucose, or K+ was present individually or in combinations and as to whether the medium was buffered or not. The NMR spectra revealed that the cells always lost Na+ and gained phosphorus. However, the nature of the Na+ efflux time course and the P metabolism differed depending on the medium. The Na+ efflux usually proceeded linearly until the amount of Na+ extruded roughly equaled the amount of NH4+ and orthophosphate initially present in the medium. The Na+ efflux then entered a transition phase, either slowing, ceasing, or transiently reversing, before resuming at about the same value as that of the first phase. The phosphorus metabolism was much more varied. These changes are interpreted in terms of hierarchical energy demands on the cells under the different conditions. In particular, the energy for the Na+ for NH4+ exchange takes precedence over that required to produce and store polyphosphate. This conclusion is supported by the fact that when the cells are forced to exchange K+, as well as NH4+, for Na+ polyphosphates are never significantly formed, and the initial linear Na+ efflux phase persists possibly 6 times as long

  18. Computer systems for laboratory networks and high-performance NMR.

    Levy, G C; Begemann, J H

    1985-08-01

    Modern computer technology is significantly enhancing the associated tasks of spectroscopic data acquisition and data reduction and analysis. Distributed data processing techniques, particularly laboratory computer networking, are rapidly changing the scientist's ability to optimize results from complex experiments. Optimization of nuclear magnetic resonance spectroscopy (NMR) and magnetic resonance imaging (MRI) experimental results requires use of powerful, large-memory (virtual memory preferred) computers with integrated (and supported) high-speed links to magnetic resonance instrumentation. Laboratory architectures with larger computers, in order to extend data reduction capabilities, have facilitated the transition to NMR laboratory computer networking. Examples of a polymer microstructure analysis and in vivo 31P metabolic analysis are given. This paper also discusses laboratory data processing trends anticipated over the next 5-10 years. Full networking of NMR laboratories is just now becoming a reality. PMID:3840171

  19. NMR/MRI with hyperpolarized gas and high Tc SQUID

    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.

  20. Development of a superconducting bulk magnet for NMR and MRI

    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.

  1. A structural investigation of the alkali metal site distribution within bioactive glass using neutron diffraction and multinuclear solid state NMR.

    Martin, Richard A; Twyman, Helen L; Rees, Gregory J; Smith, Jodie M; Barney, Emma R; Smith, Mark E; Hanna, John V; Newport, Robert J

    2012-09-21

    The atomic-scale structure of Bioglass and the effect of substituting lithium for sodium within these glasses have been investigated using neutron diffraction and solid state magic angle spinning (MAS) NMR. Applying an effective isomorphic substitution difference function to the neutron diffraction data has enabled the Na-O and Li-O nearest-neighbour correlations to be isolated from the overlapping Ca-O, O-(P)-O and O-(Si)-O correlations. These results reveal that Na and Li behave in a similar manner within the glassy matrix and do not disrupt the short range order of the network former. Residual differences are attributed solely to the variation in ionic radius between the two species. Successful simplification of the 2 bioactive glasses, and an analogous splitting of the Li-O correlations. The observed correlations are attributed to the metal ions bonded either to bridging or to non-bridging oxygen atoms. (23)Na triple quantum MAS (3QMAS) NMR data corroborates the split Na-O correlations. The structural sites present will be intimately related to the release properties of the glass system in physiological fluids such as plasma and saliva, and hence to the bioactivity of the material. Detailed structural knowledge is therefore a prerequisite for optimizing material design. PMID:22868255

  2. NMR Dynamic Studies in Living Systems

    闫永彬; 范明杰; 罗雪春; 张日清

    2002-01-01

    Nuclear magnetic resonance (NMR) can noninvasively monitor the intracellular concentrations and kinetic properties of numerous inorganic and organic compounds. These characteristics have made NMR a useful tool for dynamic studies of living systems. Applications of NMR to living systems have successfully extended to many areas, including studies of metabolic regulation, ion transport, and intracellular reaction rates in vivo. The major purpose of this review is to summarize the results that can be obtained by modern NMR techniques in living systems. With the advances of new techniques, NMR measurements of various nuclides have been performed for specific physiological purposes. Although some technical problems still remain and there are still discrepancies between NMR and traditional biochemical results, the abundant and unique information obtained from NMR spectra suggests that NMR will be more extensively applied in future studies of living systems. The fast development of these new techniques is providing many new NMR applications in living systems, as well as in structural biology.

  3. Sensitivity enhancement of remotely coupled NMR detectors using wirelessly powered parametric amplification.

    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. PMID:22246567

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

    Kotecha, Mrignayani; Chaudhuri, Santanu; Grey, Clare P; Frydman, Lucio

    2005-11-30

    Dynamic processes such as chemical exchange or rotations between inequivalent orientations can affect the magic-angle spinning (MAS) and the multiple-quantum (MQ) MAS NMR spectra of half-integer quadrupolar nuclei. The present paper discusses such dynamic multisite MAS and MQMAS effects and applies them to study the dynamic processes that occur in the double perovskite cryolite, Na3AlF6. Dynamic line shape simulations invoking a second-order broadening of the central transition and relying on the semiclassical Bloch-McConnell formalism for chemical exchange were performed for a variety of exchange models possessing different symmetries. Fitting experimental variable-temperature cryolite 23Na NMR data with this formalism revealed that the two inequivalent sodium sites in this mineral undergo an exchange characterized by a broad distribution of rates. To further assess this dynamic process a variety of 27Al and 19F MAS NMR studies were also undertaken; quantitative 27Al-19F dipolar coupling measurements then revealed a dynamic motion of the AlF6 octahedra that were qualitatively consistent with predictions stemming from molecular dynamic simulations on this double perovskite. PMID:16305261

  5. NMR and dynamics of biopolymers

    Several basic experimental analytical NMR techniques that are frequently used for the qualitative and quantitative analysis of dynamic and exchange processes, focusing on proteins systems, are described: chemical exchange (slow exchange, fast exchange, intermediate exchange), heteronuclear relaxation measurements (relaxation parameters, strategy of relaxation data analysis, experimental results and examples, motional model interpretation of relaxation data, homonuclear relaxation); slow large-scale exchange and hydrogen-deuterium exchange are also studied: mechanisms of hydrogen exchange in a native protein, methods for measuring amide exchange rates by NMR, interpretation of amide exchange rates. 9 fig., 3 tab., 56 ref

  6. Two-dimensional NMR spectrometry

    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, t0; an evolution period, t1; and a detection period, t2

  7. Advanced NMR characterization of zeolite catalysts

    Welsh, L. B.

    1985-04-01

    The program discussed in this report is a two-year two-phase joint UOP-University of Illinois study of the application of improved high resolution solid state nuclear magnetic resonance (NMR) techniques to the characterization of zeolite catalysts. During the first phase of this program very pure, and in some cases isotopically enriched faujasites will be prepared and studied by magic angle sample spinning NMR (MASS NMR) and variable engine sample spinning NMR (VASS NMR) on 500 and 360 MHz (proton frequency) NMR spectrometers. The NMR techniques that will be emphasized are the measurement and analysis of the (17)O NMR properties, (27)Al NMR intensity quantitation, and (27)Al and (29)Si NMR relaxation rates. During the second phase of this program these NMR techniques will be used to study the effects of impurity concentration, dealumination treatments and cation exchange on the NMR properties of faujasites. The initial emphasis of this program during Phase I is on the preparation and measurement of the NMR properties of (17)O enriched Na-Y faujasties.

  8. NMR microscopy of tissue in organic and mixed solvents

    Macura Slobodan

    2013-01-01

    Full Text Available We propose to use organic and mixed solvents for nuclear magnetic resonance microscopy of fixed tissue as a means for improving image information content. NMR properties of some standard solvents (methanol, acetone, DMSO and solvents in use for tissue processing in pathology (xylenes, paraffin, ‘Clearify’ have been measured, reviewed, and analyzed. It was found that DMSO and paraffin are very useful solvents that provide images of better quality than those obtained in water (neutralized formalin buffer. This is illustrated on the formalin fixed mouse brain sections imaged at 16.4 teslas (700 MHz.

  9. Dynamic NMR of nano- and microstructured materials

    Olaru, Maria Alexandra

    2013-07-01

    double quantum filtered SD experiments and including a series of bonds for and minimizing uncertainties in the estimation of essential parameters. Recently developed cement-in-polymer dispersions (c/p) with different compositions and cement to polymer ratios are investigated in Chapters 3 and 4, by a vast array of NMR techniques, that probe, on different length scales, the structure of the investigated specimens, as well as the dynamics of water transport inside the materials. Chapter 3 presents the results obtained using multinuclear solid state magic angle spinning NMR to probe, at nanometer level, the structure of cement-in-polymer dispersions. The hydration effects and crystallization of the inorganic matrix are probed by {sup 29}Si NMR while the chemical reactions of the organic phase are quantified by {sup 13}C cross-polarization; the results are correlated with data offered by other analysis techniques. The study of hydrated c/p is continued in Chapter 4, where proton NMR imaging is employed to obtain information about the microstructural changes which take place upon exposure to water at different temperatures. The water transport in the c/p matrix is monitored on line and the hydration phenomenon, together with information about the physical suffered by the samples are discussed with regard to polymer type, amount and curing conditions. A simple mathematical model of diffusion in a cylindrical system, involving time dependent diffusion coefficients and variable surface concentrations, is used to predict the manner in which the water amount inside the organic/cementitious pastes evolves in time. Further on, the effects of diffusive and advective transport in model and natural porous media are systematically investigated in Chapters 5 and 6. NMR exchange relaxometry is known as a very powerful tool for probing the structure and dynamics of fully or partially hydrated porous systems, but, until know, no information existed on how the effects of slow advective

  10. Radiofrequency and magnet technology in medical NMR

    Nuclear magnetic resonance (NMR) is briefly described, particularly its rf and magnet aspects. Particular attention is given to the duplexer, the rf coils, and new kinds of magnets for remote sensing NMR

  11. Push-through Direction Injectin NMR Automation

    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...

  12. Long Lived NMR Signal in Bone

    Zhang, Boyang; Khitrin, Anatoly; Jerschow, Alexej

    2012-01-01

    Solids and rigid tissues such as bone, ligaments, and tendons, typically appear dark in magnetic resonance imaging (MRI), which is due to the extremely short-lived proton nuclear magnetic resonance (NMR) signals. This short lifetime is due to strong dipolar interactions between immobilized proton spins, which render it challenging to detect these signals with sufficient resolution and sensitivity. Here we show the possibility of exciting long-lived signals in cortical bone tissue with a signature consistent with that of bound water signals. Contrary to long-standing belief, it is further shown that dipolar coupling networks are an integral requirement for the excitation of these long-lived signals. The use of these signals could enhance the ability to visualize rigid tissues and solid samples with high sensitivity, resolution, and specificity via MRI.

  13. High resolution NMR theory and chemical applications

    Becker, Edwin D

    1969-01-01

    High Resolution NMR: Theory and Chemical Applications focuses on the applications of nuclear magnetic resonance (NMR), as well as chemical shifts, lattices, and couplings. The book first offers information on the theory of NMR, including nuclear spin and magnetic moment, spin lattice relaxation, line widths, saturation, quantum mechanical description of NMR, and ringing. The text then ponders on instrumentation and techniques and chemical shifts. Discussions focus on the origin of chemical shifts, reference compounds, empirical correlations of chemical shifts, modulation and phase detection,

  14. Cancer metastasis detected by NMR

    A narrow NMR line originating from the plasma membrane of a cancer cell is unexpected. The behaviour of these lines is explained in terms of fundamental physics and chemistry. There is biochemical evidence to support the presence of neutral lipid domains in the plasma membrane. T2 relaxation and clinical implications are briefly discussed

  15. NMR studies of selective population inversion and spin clustering

    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

  16. NMR studies of selective population inversion and spin clustering

    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.

  17. Molecular breast imaging. An update

    The aim of molecular imaging is to visualize and quantify biological, physiological and pathological processes at cellular and molecular levels. Molecular imaging using various techniques has recently become established in breast imaging. Currently molecular imaging techniques comprise multiparametric magnetic resonance imaging (MRI) using dynamic contrast-enhanced MRI (DCE-MRI), diffusion-weighted imaging (DWI), proton MR spectroscopy (1H-MRSI), nuclear imaging by breast-specific gamma imaging (BSGI), positron emission tomography (PET) and positron emission mammography (PEM) and combinations of techniques (e.g. PET-CT and multiparametric PET-MRI). Recently, novel techniques for molecular imaging of breast tumors, such as sodium imaging (23Na-MRI), phosphorus spectroscopy (31P-MRSI) and hyperpolarized MRI as well as specific radiotracers have been developed and are currently under investigation. It can be expected that molecular imaging of breast tumors will enable a simultaneous assessment of the multiple metabolic and molecular processes involved in cancer development and thus an improved detection, characterization, staging and monitoring of response to treatment will become possible. (orig.)

  18. NMR Studies of Inclusion Compounds

    Nikkhou Aski, Sahar

    2008-01-01

    This thesis presents the application of some of the NMR methods in studying host-guest complexes, mainly in solution. The general focus of the work is on investigating the reorientational dynamics of some small molecules that are bound inside cavities of larger moieties. In the current work, these moieties belong to two groups: cryptophanes and cyclodextrins. Depending on the structure of the cavities, properties of the guest molecules and the formed complexes vary. Chloroform and dichloromet...

  19. Measurement of deformations by NMR

    Bytchenkoff, Dimitri; Rodts, Stéphane

    2015-12-01

    Two NMR data acquisition protocols together with corresponding data processing algorithms for locating macroscopic objects, measuring distances between them or monitoring their displacements or deformations with microscopic precision are presented and discussed. The performance of the methods is demonstrated by applying them to the measurement of deformations of a freely supported beam under loading. We believe that our methods will find their applications in mechanics, civil engineering and medicine.

  20. RECENT PROGRESS IN BIOMOLECULAR NMR

    2002-01-01

    @@ Structural genomics and proteomics were born from the understanding that functions of a protein are dictated by its 3D structure and dynamics. To understand protein functions on a genomic scale, we must know protein structures on a genomic scale. High resolution NMR can be used for this purpose. Traditional multidimensional NMR structure determination protocols become ineffective for structural genomics since to obtain a structure of a small protein of 15kD requires many months of painstaking spectral analysis and modeling. Recent advances in magnet and probe technology and in experimental methods have expanded the range of proteins amenable to structure determination and make the large scale structure determination possible. These advances are (1) effective expression systems for protein production, (2) introduction of cryoprobe, (3) structure determination with the use of the minimal amount of structural restraints obtained from the chemical shifts, residual dipolar couplings, NOEs, and computer modeling. In this talk,Iwill briefly outline these developments and related works done in our NMR lab.

  1. NMR-Based Milk Metabolomics

    Hanne C. Bertram

    2013-04-01

    Full Text Available Milk is a key component in infant nutrition worldwide and, in the Western parts of the world, also in adult nutrition. Milk of bovine origin is both consumed fresh and processed into a variety of dairy products including cheese, fermented milk products, and infant formula. The nutritional quality and processing capabilities of bovine milk is closely associated to milk composition. Metabolomics is ideal in the study of the low-molecular-weight compounds in milk, and this review focuses on the recent nuclear magnetic resonance (NMR-based metabolomics trends in milk research, including applications linking the milk metabolite profiling with nutritional aspects, and applications which aim to link the milk metabolite profile to various technological qualities of milk. The metabolite profiling studies encompass the identification of novel metabolites, which potentially can be used as biomarkers or as bioactive compounds. Furthermore, metabolomics applications elucidating how the differential regulated genes affects milk composition are also reported. This review will highlight the recent advances in NMR-based metabolomics on milk, as well as give a brief summary of when NMR spectroscopy can be useful for gaining a better understanding of how milk composition is linked to nutritional or quality traits.

  2. NMR-Based Milk Metabolomics.

    Sundekilde, Ulrik K; Larsen, Lotte B; Bertram, Hanne C

    2013-01-01

    Milk is a key component in infant nutrition worldwide and, in the Western parts of the world, also in adult nutrition. Milk of bovine origin is both consumed fresh and processed into a variety of dairy products including cheese, fermented milk products, and infant formula. The nutritional quality and processing capabilities of bovine milk is closely associated to milk composition. Metabolomics is ideal in the study of the low-molecular-weight compounds in milk, and this review focuses on the recent nuclear magnetic resonance (NMR)-based metabolomics trends in milk research, including applications linking the milk metabolite profiling with nutritional aspects, and applications which aim to link the milk metabolite profile to various technological qualities of milk. The metabolite profiling studies encompass the identification of novel metabolites, which potentially can be used as biomarkers or as bioactive compounds. Furthermore, metabolomics applications elucidating how the differential regulated genes affects milk composition are also reported. This review will highlight the recent advances in NMR-based metabolomics on milk, as well as give a brief summary of when NMR spectroscopy can be useful for gaining a better understanding of how milk composition is linked to nutritional or quality traits. PMID:24957988

  3. Structural proteomics by NMR spectroscopy.

    Shin, Joon; Lee, Woonghee; Lee, Weontae

    2008-08-01

    Structural proteomics is one of the powerful research areas in the postgenomic era, elucidating structure-function relationships of uncharacterized gene products based on the 3D protein structure. It proposes biochemical and cellular functions of unannotated proteins and thereby identifies potential drug design and protein engineering targets. Recently, a number of pioneering groups in structural proteomics research have achieved proof of structural proteomic theory by predicting the 3D structures of hypothetical proteins that successfully identified the biological functions of those proteins. The pioneering groups made use of a number of techniques, including NMR spectroscopy, which has been applied successfully to structural proteomics studies over the past 10 years. In addition, advances in hardware design, data acquisition methods, sample preparation and automation of data analysis have been developed and successfully applied to high-throughput structure determination techniques. These efforts ensure that NMR spectroscopy will become an important methodology for performing structural proteomics research on a genomic scale. NMR-based structural proteomics together with x-ray crystallography will provide a comprehensive structural database to predict the basic biological functions of hypothetical proteins identified by the genome projects. PMID:18761469

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

    2002-01-01

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

  5. Imaging of adrenals; L`imagerie des pathologies surrenaliennes

    Taillefer, R.; Therasse, E. [Hotel-Dieu de Montreal, PQ (Canada)

    1995-12-31

    The tomodensitometry (TDM) and the Nuclear Magnetic Resonance (NMR) are the principle tools of imaging. TDM is less specific, NMR has a spatial resolution decreasing the number of small lesions detection. There is no correlation between the functional state of adrenal glands and morphological criteria or signal intensity and then, NMR has no greater part. 4 refs.

  6. NMR-CT of cerebrovascular diseases using pulse sequence of Carr-Purcell-Meiboom-Gill method

    Nuclear magnetic resonance-computed tomography (NMR-CT) findings of 114 cases of cerebrovascular diseases are reported. The NMR-CT used for this study was a product of Bruker Company in West Germany. It has a 0.15 tesla resistive magnet, using the pulse sequence of the Carr-Purcell-Meiboom-Gill (CPMG) method. Intracerebral hematoma showing iso- or low density on X-ray CT could be detected by NMR-CT in the subacute stage and even in the chronic stage. T1 and T2 relaxation times (T1, T2) of hematoma showed prolongation as time passed from about 2 weeks after the onset. NMR-CT detected small or lacunar infarctic lesions at the basal ganglia, the brain stem or the posterior fossa. Prolongations of T1 and T2 in infarctic foci were more marked than in hematomas. In two cases of transient ischemic attack, the responsible lesions were detected by NMR-CT, but no abnormality was found on X-ray CT at the same time. Moreover, as disappearance of the abnormal image and normalization of T1 and T2 in these foci were noted by follow-up NMR-CT after bypass surgery, it was suggested that these lesions were reversible and might be a critical low perfusion area, the so-called ischemic penumbra. NMR-CT findings in moyamoya disease were the same as those obtained by X-ray CT. However, slightly ischemic lesions might be detected by NMR-CT. Therefore, operative indications and effectiveness for ischemic moyamoya disease might be decided by NMR-CT. For arteriovenous malformations (AVMs), NMR-CT was an excellent diagnostic method because the extent of the lesions was easily recognized, and dilated vessels were depicted as low or no signal intensity areas without using contrast media. Three dimensional observation of brain tissues surrounding the AVM was possible by NMR-CT. These areas were depicted as T1 and T2 prolonged regions on calculated NMR images. This finding may indicate ischemic or necrotic changes due to the blood steal phenomena. (J.P.N.)

  7. Accelerating multidimensional NMR and MRI experiments using iterated maps

    Barrett, Sean; Frey, Merideth; Sethna, Zachary; Manley, Gregory; Sengupta, Suvrajit; Zilm, Kurt; Loria, J. Patrick

    2014-03-01

    Techniques that accelerate data acquisition without sacrificing the advantages of fast Fourier transform (FFT) reconstruction could benefit a wide variety of magnetic resonance experiments. Here we discuss an approach for reconstructing multidimensional nuclear magnetic resonance (NMR) spectra and MR images from sparsely-sampled time domain data, by way of iterated maps. This method exploits the computational speed of the FFT algorithm and is done in a deterministic way, by reformulating any a priori knowledge or constraints into projections, and then iterating. In this paper we explain the motivation behind this approach, the formulation of the specific projections, the benefits of using a `QUasi-Even Sampling, plus jiTter' (QUEST) sampling schedule, and various methods for handling noise. Applying the iterated maps method to real 2D NMR and 3D MRI of solids data, we show that it is flexible and robust enough to handle large data sets with significant noise and artifacts.

  8. Quality assessment of protein NMR structures

    Rosato A.; Montelione G.T.; Tejero R.

    2013-01-01

    Biomolecular NMR structures are now routinely used in biology, chemistry, and bioinformatics. Methods and metrics for assessing the accuracy and precision of protein NMR structures are beginning to be standardized across the biological NMR community. These include both knowledge-based assessment metrics, parameterized from the database of protein structures, and model versus data assessment metrics. On line servers are available that provide comprehensive protein structure quality assessment ...

  9. NMR INVESTIGATIONS OF HYDROGENATED AMORPHOUS SILICON

    J. Reimer

    1981-01-01

    A review is presented of the N.M.R. (Nuclear Magnetic Resonance) studies to date of hydrogenated amorphous silicon-hydrogen films. Structural features of proton N.M.R. lineshapes, dynamics of hydrogen containing defect sites, and the promise of quantitative determinations of local silicon-hydrogen bonding environments are discussed in detail. Finally, some comments are given on future directions for N.M.R. studies of hydrogenated thin films.

  10. An Inversion Recovery NMR Kinetics Experiment

    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 conveni...

  11. NMR studies of isotopically labeled RNA

    Pardi, A. [Univ. of Colorado, Boulder, CO (United States)

    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.

  12. Ligand-receptor Interactions by NMR Spectroscopy

    Novak. P.

    2008-04-01

    Full Text Available Today NMR spectroscopy is a method of choice for elucidation of interactions between biomolecules and the potential ligands. Knowledge on these interactions is an essential prerequisite for the rational drug design. The most important contribution of NMR to drug design a few years ago was the 3D structure determination of proteins. Besides delivering the 3D structures of the free proteins as a raw material for the modeling studies on ligand binding, NMR can directly yield valuable experimental data on the biologically important protein-ligand complexes. In addition to X-ray diffraction, NMR spectroscopy can provide information on the internal protein dynamics ordynamics of intermolecular interactions. Changes in NMR parameters allow us to detect ("SAR by NMR" and quantitatively determine binding affinities (titration, diffusion NMR experiments, etc. of potential ligands. Also, it is possible to determine the binding site and conformations of ligands, receptors and receptor-ligand complexes with the help of NMR methods such as tr-NOESY. Epitopes or functional groups responsible for binding of ligands to the receptor can be identified by employing STD or WaterLOGSY experiments. In this review are described some of the most frequent NMR methods for the characterization of the interactions between biomolecules and ligands, together with their advantages and disadvantages.

  13. Spin-Exchange Pumped NMR Gyros

    Walker, Thad G

    2016-01-01

    We present the basic theory governing spin-exchange pumped NMR gyros. We review the basic physics of spin-exchange collisions and relaxation as they pertain to precision NMR. We present a simple model of operation as an NMR oscillator and use it to analyze the dynamic response and noise properties of the oscillator. We discuss the primary systematic errors (differential alkali fields, quadrupole shifts, and offset drifts) that limit the bias stability, and discuss methods to minimize them. We give with a brief overview of a practical implementation and performance of an NMR gyro built by Northrop-Grumman Corporation, and conclude with some comments about future prospects.

  14. Advance reservoir evaluation by using NMR logging

    Based on brief explanation of the measurement principle for nuclear magnetic resonance (NMR) logging, this paper illustrates the importance of NMR logging in reservoir evaluation through typical case examples. These case examples include: Reservoir characterization and productivity evaluation by using NMR logging, determination of reservoir porosity in complex lithology, identification of oil, water and gas zones under complex reservoir conditions where resistivity log data give poor indication, guiding the implementation of completion and drilling programs, etc. Excellent application results indicate that NMR logging has its special features and advantages in comparison with conventional logging techniques. It is a very practical and very promising logging technology

  15. NMR investigation of Ag nanoparticles

    Son, Kwanghyo; Jang, Zeehoon

    2013-01-01

    109Ag nuclear magnetic resonance (NMR) and relaxation measurements have been performed on two powder samples of Ag nanoparticles with average sizes of 20 nm and 80 nm. The measurements have been done in an external field of 9.4 T and in the temperature range 10 K Knight shift ( K) and the nuclear spin-lattice relaxation rate (1/ T 1) are observed to be almost identical to the values reported for the bulk Ag metal, whereby the Korringa ratio R(= K 2 T 1 T/S) is found to be 2.0 for both samples in the investigated temperature range.

  16. Inverse problem for in vivo NMR spatial localization

    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.

  17. Inverse problem for in vivo NMR spatial localization

    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

  18. NMR studies of oriented molecules

    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.

  19. A Guided Inquiry Approach to NMR Spectroscopy

    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.

  20. NMR spectra of phosphorus 17O esters

    By the 17O NMR method the authors investigated methyl, ethyl, isopropyl, tert-butyl, and phenyl ethylene phosphites; methyl, ethyl, and isopropyl trimethylene phosphites; and methyl, ethyl, isopropyl, and tert-butyl o-phenylene phosphites. They also determined the 13C and 31P NMR spectra of these compounds

  1. 2D NMR studies of biomolecules

    The work described in this thesis comprises two related subjects. The first part describes methods to derive high-resolution structures of proteins in solution using two-dimensional (2-D) NMR. The second part describes 2-D NMR studies on the interaction between proteins and DNA. (author). 261 refs.; 52 figs.; 23 tabs

  2. NMR Spectroscopy and Its Value: A Primer

    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…

  3. An Inversion Recovery NMR Kinetics Experiment

    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…

  4. Using Cloud Storage for NMR Data Distribution

    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…

  5. Carbon-13 NMR spectroscopy of biological systems

    Beckmann, Nicolau

    1995-01-01

    This book is intended to provide an in-depth understanding of 13C NMR as a tool in biological research. 13C NMR has provided unique information concerning complex biological systems, from proteins and nucleic acids to animals and humans. The subjects addressed include multidimensional heteronuclear techniques for structural studies of molecules in the liquid and solid states, the investigation of interactions in model membranes, the elucidation of metabolic pathwaysin vitro and in vivo on animals, and noninvasive metabolic studies performed on humans. The book is a unique mix of NMR methods and biological applications which makes it a convenient reference for those interested in research in this interdisciplinary area of physics, chemistry, biology, and medicine.Key Features* An interdisciplinary text with emphasis on both 13C NMR methodology and the relevant biological and biomedical issues* State-of-the-art 13C NMR techniques are described; Whenever possible, their advantages over other approaches are empha...

  6. SQUID detected NMR and NQR. Superconducting Quantum Interference Device.

    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. PMID:9650797

  7. Proton NMR studies of functionalized nanoparticles in aqueous environments

    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

  8. NMR-based milk metabolomics

    Sundekilde, Ulrik; Larsen, Lotte Bach; Bertram, Hanne Christine S.

    2013-01-01

    Milk is a key component in infant nutrition worldwide and, in the Western parts of the world, also in adult nutrition. Milk of bovine origin is both consumed fresh and processed into a variety of dairy products including cheese, fermented milk products, and infant formula. The nutritional quality...... and processing capabilities of bovine milk is closely associated to milk composition. Metabolomics is ideal in the study of the low-molecular-weight compounds in milk, and this review focuses on the recent nuclear magnetic resonance (NMR)-based metabolomics trends in milk research, including...... applications linking the milk metabolite profiling with nutritional aspects, and applications which aim to link the milk metabolite profile to various technological qualities of milk. The metabolite profiling studies encompass the identification of novel metabolites, which potentially can be used as biomarkers...

  9. Investigations of the structure and "interfacial" surface chemistry of Bioglass (RTM) materials by solid-state multinuclear NMR spectroscopy

    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

  10. New applications and perspectives of fast field cycling NMR relaxometry.

    Steele, Rebecca M; Korb, Jean-Pierre; Ferrante, Gianni; Bubici, Salvatore

    2016-06-01

    The field cycling NMR relaxometry method (also known as fast field cycling (FFC) when instruments employing fast electrical switching of the magnetic field are used) allows determination of the spin-lattice relaxation time (T1 ) continuously over five decades of Larmor frequency. The method can be exploited to observe the T1 frequency dependence of protons, as well as any other NMR-sensitive nuclei, such as (2) H, (13) C, (31) P, and (19) F in a wide range of substances and materials. The information obtained is directly correlated with the physical/chemical properties of the compound and can be represented as a 'nuclear magnetic resonance dispersion' curve. We present some recent academic and industrial applications showing the relevance of exploiting FFC NMR relaxometry in complex materials to study the molecular dynamics or, simply, for fingerprinting or quality control purposes. The basic nuclear magnetic resonance dispersion features are outlined in representative examples of magnetic resonance imaging (MRI) contrast agents, porous media, proteins, and food stuffs. We will focus on the new directions and perspectives for the FFC technique. For instance, the introduction of the latest Wide Bore FFC NMR relaxometers allows probing, for the first time, of the dynamics of confined surface water contained in the macro-pores of carbonate rock cores. We also evidence the use of the latest field cycling technology with a new cryogen-free variable-field electromagnet, which enhances the range of available frequencies in the 2D T1 -T2 correlation spectrum for separating oil and water in crude oil. Copyright © 2015 John Wiley & Sons, Ltd. PMID:25855084

  11. An introduction to biological NMR spectroscopy

    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). (authors)

  12. Producing >60,000-fold room-temperature 89Y NMR signal enhancement

    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.

  13. NMR findings in patients after wrist trauma with a negative plain radiographs

    The purpose was to assess the prevalence and location of the injuries of the carpal bones and soft tissue of the wrist on NMR in patients with negative radiographs. A total of 89 patients (9–81years) were consecutively examined after wrist trauma. Radiograms were performed in four projections: AP, PA, oblique and lateral. In 63 cases of negative radiographs and persistent clinical problem, simplified NMR (T1,T2, STIR; in coronal plane) was conducted with a 1.5 Tesla magnet. Results were evaluated by two independent observers. A positive X-ray result was stated when at least one observer suggested bone fracture. The MR images were viewed for detection of possible bone fracture, bone edema and soft tissue injuries. Cohen’s kappa coefficient was calculated to assess the quality of chosen criteria by means of agreement between both observers and both methods. As many as 26 X-ray studies were classified as positive. Substantial agreement between independent observers was found (kappa=0.63). In 17 cases out of 63 with two negative wrist radiogram, the NMR result was positive (19%). The most frequently fractured or injured bone was scaphoid (10 cases) and distal radius (5 cases). Fair agreement was found between X-ray and NMR studies (kappa=0.37) due to different diagnostic information received in both methods. Simplified NMR imaging of the wrist proved to be strongly efficient in the detection of pathological changes in injured wrists

  14. Graphical programming for pulse automated NMR experiments

    We describe a software program designed to control a broadband pulse Nuclear Magnetic Resonance (NMR) spectrometer used in zero-field NMR studies of magnetic metals. The software is written in the graphical language LabVIEW. This type of programming allows modifications and the inclusion of new routines to be easily made by the non-specialist, without changing the basic structure of the program. The program corrects for differences in the gain of the two acquisition channels [U (phase) and V (quadrature)], and automatic baseline subtraction. We present examples of measurements of NMR spectra, spin-echo decay (T2), and quadrupolar oscillations, performed in magnetic intermetallic compounds. (author)

  15. Solid-state NMR of polymers

    Mirau, P

    2001-07-01

    Nuclear magnetic resonance (NMR) spectroscopy has emerged as one of the most important methods for the solid-state characterisation of polymers. The popularity of NMR is due to the fact that many molecular level features can be measured from the NMR spectra, including the polymer chain conformation, the morphology and the dynamics. The spectral features and relaxation times are affected by local interactions, so they provide information about the structure of polymers on a length scale (2-200 A) that is difficult to measure by other methods. In favourable cases, the NMR experiments provide a molecular-level explanation for the transitions observed by differential scanning calorimetry (DSC) and other methods, and the NMR properties can often be related to the bulk properties. Solid-state NMR has long been of interest in polymer science, and the first solid-state NMR studies of polymers were reported approximately a year after the discovery of nuclear resonance in bulk matter. It was reported in this initial study that the proton line width for natural rubber at room temperature is more like that of a mobile liquid than of a solid, but that the resonance broadens near the glass transition temperature (T{sub g}). This was recognised as being related to a change in chain dynamics above and below the T{sub g}. NMR methods developed rapidly after these initial observations, first for polymers in solution and, more recently, for polymers in the solid-state. Solid-state NMR studies of polymers were developed more slowly than their solution-state counterparts because solid-state NMR requires more specialised equipment. Solid-state NMR is now such an important tool that most modern spectrometers are capable of performing these studies. The interest in the NMR of solid polymers is due in part to the fact that most polymers are used in the solid state, and in many cases the NMR properties can be directly related to the macroscopic properties. Polymers have restricted mobility

  16. Solid-state NMR of polymers

    Nuclear magnetic resonance (NMR) spectroscopy has emerged as one of the most important methods for the solid-state characterisation of polymers. The popularity of NMR is due to the fact that many molecular level features can be measured from the NMR spectra, including the polymer chain conformation, the morphology and the dynamics. The spectral features and relaxation times are affected by local interactions, so they provide information about the structure of polymers on a length scale (2-200 A) that is difficult to measure by other methods. In favourable cases, the NMR experiments provide a molecular-level explanation for the transitions observed by differential scanning calorimetry (DSC) and other methods, and the NMR properties can often be related to the bulk properties. Solid-state NMR has long been of interest in polymer science, and the first solid-state NMR studies of polymers were reported approximately a year after the discovery of nuclear resonance in bulk matter. It was reported in this initial study that the proton line width for natural rubber at room temperature is more like that of a mobile liquid than of a solid, but that the resonance broadens near the glass transition temperature (Tg). This was recognised as being related to a change in chain dynamics above and below the Tg. NMR methods developed rapidly after these initial observations, first for polymers in solution and, more recently, for polymers in the solid-state. Solid-state NMR studies of polymers were developed more slowly than their solution-state counterparts because solid-state NMR requires more specialised equipment. Solid-state NMR is now such an important tool that most modern spectrometers are capable of performing these studies. The interest in the NMR of solid polymers is due in part to the fact that most polymers are used in the solid state, and in many cases the NMR properties can be directly related to the macroscopic properties. Polymers have restricted mobility in solids

  17. NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment

    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

  18. NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment

    Jang, Richard [Huazhong University of Science and Technology, School of Software Engineering (China); Wang, Yan [Huazhong University of Science and Technology, School of Life Science and Technology (China); Xue, Zhidong, E-mail: zdxue@hust.edu.cn [Huazhong University of Science and Technology, School of Software Engineering (China); Zhang, Yang, E-mail: zhng@umich.edu [University of Michigan, Department of Computational Medicine and Bioinformatics (United States)

    2015-08-15

    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.

  19. Interfaces in polymer nanocomposites - An NMR study

    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.

  20. Bayesian Peak Picking for NMR Spectra

    Cheng, Yichen

    2014-02-01

    Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein–DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking step, the most important and tricky step in NMR structure determination. We propose to model the NMR spectrum by a mixture of bivariate Gaussian densities and use the stochastic approximation Monte Carlo algorithm as the computational tool to solve the problem. Under the Bayesian framework, the peak picking problem is casted as a variable selection problem. The proposed method can automatically distinguish true peaks from false ones without preprocessing the data. To the best of our knowledge, this is the first effort in the literature that tackles the peak picking problem for NMR spectrum data using Bayesian method.

  1. Characterization of Hydrogenated Fullerenes by NMR Spectroscopy

    Hedenström, Mattias; Wågberg, Thomas; Johnels, Dan

    NMR spectroscopy is so far the only analytical technique that has been used to get a detailed structural characterization of hydrogenated fullerenes. A substantial amount of information derived from different NMR experiments can thus be found in the literature for a number of fullerenes hydrogenated to various degrees. These studies have benefitted from the fact that chemical shifts of 1H and 13C and in some cases also 3He can be used to obtain structural information of these compounds. Such results, together with discussions about different NMR experiments and general considerations regarding sample preparations, are summarized in this chapter. The unique information, both structural and physicochemical, that can be derived from different NMR experiments ensures that this technique will continue to be of central importance in characterization of hydrogenated fullerenes.

  2. NMR spectroscopy assists synthetic fuels research

    Cookson, D.J.; Smith, B.E.

    1983-01-01

    NMR spectroscopy has proved to be a useful and versatile technique for the study of synthetic fuels feedstocks, catalysts, process intermediates and final products. Some applications of the technique to coal and gas conversion research are illustrated and discussed.

  3. NMR studies of cerebral metabolism in vivo

    The nature and extent of the potential synergism between PET and NMR methods is not yet well appreciated in the biomedical community. The long-range interest of medical neurobiology will be well served by efforts of PET and NMR scientists to follow each others' work so that opportunities for productive interchange can be efficiently exploited. Appreciation of the synergism by the rest of the biomedical community will follow naturally. PET is said by the people doing it to be still in its infancy, for they are more concerned with advancing their discipline than with admiring its already impressive achievements. On the scale of the same developmental metaphor, many NMR methods for studying the living human brain are still in utero. The best way to provide the reader a sense of the current status and future course of NMR research in medical neurobiology is by discussion of published in vivo studies. Such a discussion, adapted from another article is what follows

  4. NMR study of hydride systems

    The hydrides of thorium (ThH2, Th4H15 and Th4D15) and the intermetallic compound system (Zr(Vsub(1-x)Cosub(x))2 and its hydrides were investigated using the nuclear magnetic resonance (NMR) technique. From the results for the thorium hydride samples it was concluded that the density of states at the Fermi level n(Esub(f)) is higher in Th4H15 than in ThH2; there is an indirect reaction between the protons and the d electrons belonging to the Th atoms in Th4H15; n(E) has a sharp structure near Esub(f). It was also found that the hydrogen diffusion mechanism changes with temperature. From the results for the intermetallic compound system conclusions were drawn concerning variations in the electronic structure, which explain the behavior of the system. In hydrogen diffusion studies in several samples it was found that Co atoms slow the diffusion rate. Quadrupole spectra obtained at low temperatures show that the H atoms preferably occupy tetrahedral sites formed by three V atoms and one Z atom. (H.K.)

  5. Processing of NMR Slices for Preparation of Multi-dimensional Model

    Mikulka, J.; Gescheidtová, E.; Bartušek, Karel

    Berlin : Springer, 2007, s. 186-189. ISBN 978-3-540-92840-9. [ICME2008 - International Conference on Biomedical Engineering /13./. Singapore (SG), 03.12.2008-06.12.2008] R&D Projects: GA ČR(CZ) GA102/07/0389; GA ČR(CZ) GA102/07/1086 Institutional research plan: CEZ:AV0Z20650511 Keywords : NMR imaging * image segmentation Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering

  6. Observation of supramolecular aggregation by dosy NMR

    Šaman, David; Wimmer, Zdeněk; Kolehmainen, E.

    Tatranská Lomnica : Slovak National NMR Centre. Slovak Chemical Society, 2011 - (Liptaj, T.; Imrich, J.; Kovaľaková, M.; Olčák, D.). s. 56-56 ISBN 978-80-89284-77-1. [Magnetic Moments in Central Europe. 16.03.2011-20.03.2011, Tatranská Lomnica] R&D Projects: GA MŠk 2B06024 Institutional research plan: CEZ:AV0Z40550506 Keywords : difusion * NMR Subject RIV: CC - Organic Chemistry

  7. NMR Investigation of the Quantum Piegonhole Effect

    S., Anjusha V.; Hegde, Swathi S.; Mahesh, T. S.

    2015-01-01

    Quantum simulators based on nuclear spin-systems controlled by NMR techniques have been used for studying various quantum phenomena. In this work, using a four-qubit NMR quantum simulator, we investigate the recently postulated quantum pigeon-hole effect. In mathematics, the pigeonhole effect is described by a set of three objects being allocated with only two containers. Classically, one would expect at least one container to accommodate more than one object. However, recently it was predict...

  8. NMR of Membrane Proteins: Beyond Crystals.

    Rajesh, Sundaresan; Overduin, Michael; Bonev, Boyan B

    2016-01-01

    Membrane proteins are essential for the flow of signals, nutrients and energy between cells and between compartments of the cell. Their mechanisms can only be fully understood once the precise structures, dynamics and interactions involved are defined at atomic resolution. Through advances in solution and solid state NMR spectroscopy, this information is now available, as demonstrated by recent studies of stable peripheral and transmembrane proteins. Here we highlight recent cases of G-protein coupled receptors, outer membrane proteins, such as VDAC, phosphoinositide sensors, such as the FAPP-1 pleckstrin homology domain, and enzymes including the metalloproteinase MMP-12. The studies highlighted have resulted in the determination of the 3D structures, dynamical properties and interaction surfaces for membrane-associated proteins using advanced isotope labelling strategies, solubilisation systems and NMR experiments designed for very high field magnets. Solid state NMR offers further insights into the structure and multimeric assembly of membrane proteins in lipid bilayers, as well as into interactions with ligands and targets. Remaining challenges for wider application of NMR to membrane structural biology include the need for overexpression and purification systems for the production of isotope-labelled proteins with fragile folds, and the availability of only a few expensive perdeuterated detergents.Step changes that may transform the field include polymers, such as styrene maleic acid, which obviate the need for detergent altogether, and allow direct high yield purification from cells or membranes. Broader demand for NMR may be facilitated by MODA software, which instantly predicts membrane interactive residues that can subsequently be validated by NMR. In addition, recent developments in dynamic nuclear polarization NMR instrumentation offer a remarkable sensitivity enhancement from low molarity samples and cell surfaces. These advances illustrate the current

  9. Frontiers of NMR in Molecular Biology

    NONE

    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.

  10. NMR studies of multiphase flows II

    Altobelli, S.A.; Caprihan, A.; Fukushima, E. [Lovelace Institutes, Albuquerque, NM (United States)] [and others

    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.

  11. Integrated microchip incorporating atomic magnetometer and microfluidic channel for NMR and MRI

    Ledbetter, Micah P.; Savukov, Igor M.; Budker, Dmitry; Shah, Vishal K.; Knappe, Svenja; Kitching, John; Michalak, David J.; Xu, Shoujun; Pines, Alexander

    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.

  12. 33S NMR cryogenic probe for taurine detection

    Hobo, Fumio; Takahashi, Masato; Maeda, Hideaki

    2009-03-01

    With the goal of a S33 nuclear magnetic resonance (NMR) probe applicable to in vivo NMR on taurine-biological samples, we have developed the S33 NMR cryogenic probe, which is applicable to taurine solutions. The NMR sensitivity gain relative to a conventional broadband probe is as large as 3.5. This work suggests that improvements in the preamplifier could allow NMR measurements on 100 μM taurine solutions, which is the level of sensitivity necessary for biological samples.

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

    Ashbrook, Sharon E.; Wimperis, Stephen

    2003-06-01

    Several methods are available for the acquisition of high-resolution solid-state NMR spectra of quadrupolar nuclei with half-integer spin quantum number. Satellite-transition MAS (STMAS) offers an approach that employs only conventional MAS hardware and can yield substantial signal enhancements over the widely used multiple-quantum MAS (MQMAS) experiment. However, the presence of the first-order quadrupolar interaction in the satellite transitions imposes the requirement of a high degree of accuracy in the setting of the magic angle on the NMR probehead. The first-order quadrupolar interaction is only fully removed if the sample spinning angle, χ, equals cos-1(1/ 3) exactly and rotor synchronization is performed. The required level of accuracy is difficult to achieve experimentally, particularly when the quadrupolar interaction is large. If the magic angle is not set correctly, the first-order splitting is reintroduced and the spectral resolution is severely compromised. Recently, we have demonstrated a novel STMAS method (SCAM-STMAS) that is self-compensated for angle missets of up to ±1° via coherence transfer between the two different satellite transitions ST +( mI=+3/2↔+1/2) and ST -( mI=-1/2↔-3/2) midway through the t1 period. In this work we describe in more detail the implementation of SCAM-STMAS and demonstrate its wider utility through 23Na ( I=3/2), 87Rb ( I=3/2), 27Al ( I=5/2), and 59Co ( I=7/2) NMR. We discuss linewidths in SCAM-STMAS and the limits over which angle-misset compensation is achieved and we demonstrate that SCAM-STMAS is more tolerant of temporary spinning rate fluctuations than STMAS, resulting in less " t1 noise" in the two-dimensional spectrum. In addition, alternative correlation experiments, for example involving the use of double-quantum coherences, that similarly display self-compensation for angle misset are investigated. The use of SCAM-STMAS is also considered in systems where other high-order interactions, such as third

  14. 19F NMR measurements of NO production in hypertensive ISIAH and OXYS rats

    Recently we demonstrated the principal possibility of application of 19F NMR spin-trapping technique for in vivo ·NO detection [Free Radic. Biol. Med. 36 (2004) 248]. In the present study, we employed this method to elucidate the significance of ·NO availability in animal models of hypertension. In vivo ·NO-induced conversion of the hydroxylamine of the fluorinated nitronyl nitroxide (HNN) to the hydroxylamine of the iminonitroxide (HIN) in hypertensive ISIAH and OXYS rat strains and normotensive Wistar rat strain was measured. Significantly lower HIN/HNN ratios were measured in the blood of the hypertensive rats. The NMR data were found to positively correlate with the levels of nitrite/nitrate evaluated by Griess method and negatively correlate with the blood pressure. In comparison with other traditionally used methods 19F NMR spectroscopy allows in vivo evaluation of ·NO production and provides the basis for in vivo ·NO imaging

  15. Use of NMR and NMR Prediction Software to Identify Components in Red Bull Energy Drinks

    Simpson, Andre J.; Shirzadi, Azadeh; Burrow, Timothy E.; Dicks, Andrew P.; Lefebvre, Brent; Corrin, Tricia

    2009-01-01

    A laboratory experiment designed as part of an upper-level undergraduate analytical chemistry course is described. Students investigate two popular soft drinks (Red Bull Energy Drink and sugar-free Red Bull Energy Drink) by NMR spectroscopy. With assistance of modern NMR prediction software they identify and quantify major components in each…

  16. HPLC-NMR revisited: Using time-slice HPLC-SPE-NMR with database assisted dereplication

    Johansen, Kenneth; Wubshet, Sileshi Gizachew; Nyberg, Nils

    2013-01-01

    Time based trapping of chromatographically separated compounds on to solid-phase extraction cartridges (SPE) and subsequent elution to NMR-tubes was done to emulate the function of HPLC–NMR for dereplication purposes. Sufficient mass sensitivity was obtained by the use of a state-of-the-art HPLC...

  17. AEM and NMR: Tools for the Future of Groundwater Management

    Abraham, J. D.; Cannia, J. C.; Lawrie, K.

    2012-12-01

    nuclear magnetization of the hydrogen (protons) in the water. These measurements are the basis of the familiar MRI (magnetic resonance imaging) in medical applications. NMR is also widely used in logging applications within the petroleum industry. Effective porosity values were derived directly from the borehole and surface NMR data, and hydraulic conductivity values were calculated using empirical relationships calibrated and verified with few laboratory permeameter and aquifer tests. NMR provides measurements of the effective porosity and hydraulic conductivity at a resolution not possible using traditional methods. Unlike aquifer tests, NMR logs are not unique in design and are applied in similar fashion from borehole to borehole providing a standard way of measuring hydraulic properties. When the hydraulic properties from the NMR are integrated with hydrogeological framework interpretations of AEM data large areas can be characterized. This allows a much more robust method for conceptualizing groundwater models then simply using previously published data for assigning effective porosity and hydraulic conductivity. Examples from the North Platte River Basin in Nebraska and the Murray Darling Basin of Australia illustrate that borehole and surface NMR allows superior, rapid measurements of the complexities of aquifers within when integrated with AEM.

  18. Sodium magnetic resonance imaging. Development of a 3D radial acquisition technique with optimized k-space sampling density and high SNR-efficiency

    A 3D radial k-space acquisition technique with homogenous distribution of the sampling density (DA-3D-RAD) is presented. This technique enables short echo times (TE23Na-MRI, and provides a high SNR-efficiency. The gradients of the DA-3D-RAD-sequence are designed such that the average sampling density in each spherical shell of k-space is constant. The DA-3D-RAD-sequence provides 34% more SNR than a conventional 3D radial sequence (3D-RAD) if T2*-decay is neglected. This SNR-gain is enhanced if T2*-decay is present, so a 1.5 to 1.8 fold higher SNR is measured in brain tissue with the DA-3D-RAD-sequence. Simulations and experimental measurements show that the DA-3D-RAD sequence yields a better resolution in the presence of T2*-decay and less image artefacts when B0-inhomogeneities exist. Using the developed sequence, T1-, T2*- and Inversion-Recovery-23Na-image contrasts were acquired for several organs and 23Na-relaxation times were measured (brain tissue: T1=29.0±0.3 ms; T2s*∼4 ms; T2l*∼31 ms; cerebrospinal fluid: T1=58.1±0.6 ms; T2*=55±3 ms (B0=3 T)). T1- und T2*-relaxation times of cerebrospinal fluid are independent of the selected magnetic field strength (B0 = 3T/7 T), whereas the relaxation times of brain tissue increase with field strength. Furthermore, 23Na-signals of oedemata were suppressed in patients and thus signals from different tissue compartments were selectively measured. (orig.)

  19. NMR standard probe for precision measurement of the free proton NMR frequency

    The authors have designed and constructed a special NMR standard probe using a spehrical pure water sample to determine the free proton NMR frequency fp at high field and an accuracy of 0.04 ppm has been achieved. Since the proton gyromagnetic ratio γp is less well known (∼0.1 ppm), the free proton NMR frequency measured by the probe may serve as a calibration standard for the magnetic field B. The standard probe can be used at various magnetic field values without introducing any additional magnetic perturbations. The probe is designed in such a way that a cylindrical sample or a small NMR probe can be inserted to replace the 1 cm diameter spherical water sample for systematic studies. Other NMR probes can be calibrated easily against the standard probe using a calibration form. Results will be presented and discussed

  20. The brute-force polarization of 23Na and the 23Na(n,γ)24Na reaction

    A Na target has been polarized by brute force to 22% and the γ radiation produced by polarized thermal neutron capture has been investigated. The 2+ channel spin contribution has been determined model independently and unambiguously for 22 primary transitions. The average 2+ channel contribution is 5.8(5)%. Spins of final levels are in agreement with previous assignments. For three levels spin restrictions have been made. The energies of positive parity levels are in agreement with a shell model calculation in the complete sd shell. (Auth.)

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

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

  2. Nuclear magnetic resonance imaging in patients with hypertrophic and dilated cardiomyopathy

    Patients with hypertrophic and dilated cardiomyopathy and normal subjects were investigated with nuclear magnetic resonance imaging. To evaluate the NMR scanner possibilities, the results were compared with the echocardiographic investigation of the same patients. The capabilities of NMR imaging to provide information about intracardiac anatomy are emphasized. This study is preceded by a description of the physical principles underlying the phenomenon of nuclear magnetic resonance and of the techniques used to obtain NMR images and a review of the clinical use of NMR imaging for cardiac diagnosis

  3. Characterization by NMR of ozonized methyl linoleate

    Diaz, Maritza F. [National Center for Scientific Research, Havana (Cuba). Ozone Research Center. Dept. of Ozonized Substances]. E-mail: maritza.diaz@cnic.edu.cu; Gavin, Jose A. [University of the Laguna, Tenerife (Spain)

    2007-07-01

    In the present study ozonized methyl linoleate with peroxide index of 1,800 mmol-equiv kg{sup -1} was chemically characterized. Ozonation of methyl linoleate produced hydroperoxides, ozonides and aldehydes which were identified by {sup 1}H and {sup 13}C NMR two-dimensional. The standard methyl linoleate and ozonized methyl linoleate shown very similar {sup 1}H NMR spectra except for the signals at {delta} 9.7 and {delta} 9.6 that correspond to aldehydic hydrogen, {delta} 5.7 and {delta} 5.5 (olefinic signals from hydroperoxides) and {delta} 5.2 ppm (multiplet from ozonides methynic hydrogen). Other resonance assignments are based on the connectivities provided by the hydrogen scalar coupling constants. These results indicate that NMR spectroscopy can provide valuable information about the amount of formed oxygenated compounds in the ozonized methyl linoleate in order to use it to follow up ozone therapy and chemistry of ozonized vegetable oil. (author)

  4. Remote tuning of NMR probe circuits.

    Kodibagkar, V D; Conradi, M S

    2000-05-01

    There are many circumstances in which the probe tuning adjustments cannot be located near the rf NMR coil. These may occur in high-temperature NMR, low-temperature NMR, and in the use of magnets with small diameter access bores. We address here circuitry for connecting a fixed-tuned probe circuit by a transmission line to a remotely located tuning network. In particular, the bandwidth over which the probe may be remotely tuned while keeping the losses in the transmission line acceptably low is considered. The results show that for all resonant circuit geometries (series, parallel, series-parallel), overcoupling of the line to the tuned circuit is key to obtaining a large tuning bandwidth. At equivalent extents of overcoupling, all resonant circuit geometries have nearly equal remote tuning bandwidths. Particularly for the case of low-loss transmission line, the tuning bandwidth can be many times the tuned circuit's bandwidth, f(o)/Q. PMID:10783273

  5. A modularized pulse programmer for NMR spectroscopy

    A modularized pulse programmer for a NMR spectrometer is described. It consists of a networked PCI-104 single-board computer and a field programmable gate array (FPGA). The PCI-104 is dedicated to translate the pulse sequence elements from the host computer into 48-bit binary words and download these words to the FPGA, while the FPGA functions as a sequencer to execute these binary words. High-resolution NMR spectra obtained on a home-built spectrometer with four pulse programmers working concurrently demonstrate the effectiveness of the pulse programmer. Advantages of the module include (1) once designed it can be duplicated and used to construct a scalable NMR/MRI system with multiple transmitter and receiver channels, (2) it is a totally programmable system in which all specific applications are determined by software, and (3) it provides enough reserve for possible new pulse sequences

  6. Deuterium NMR, induced and intrinsic cholesteric lyomesophases

    Induced and intrinsic cholesteric lyotropic mesophases were studied. Induced cholesteric lyomesophases based on potassium laurate (KL) system, with small amounts of cholesterol added, were studied by deuterium NMR and by polarizing microscopy. Order profiles obtained from deuterium NMR of KL perdenderated chains in both induced cholesteric and normal mesophases were compared. The intrinsic cholesteric lyotropic mesophases were based on the amphiphile potassium N-lauroyl serinate (KLNS) in the resolved levo form. The study of the type I intrinsic cholesteric mesophase was made by optical microscopy under polarized light and the type II intrinsic cholesteric lyomesophase was characterized by deuterium NMR. The new texture was explained by the use of the theory of disclinations developed for thermotropic liquid crystals, specially for cholesteric type. (M.J.C.)

  7. Handbook of tritium NMR spectroscopy and applications

    Following a brief introduction, highlighting the importance of 3H nmr spectroscopy for tritium tracer studies, Chapter 1 deals with the theory of the method, the interpretation of spectra and other experimental aspects, emphasizing the importance of careful sample preparation and the special relationship of 3H nmr spectral detail to the wealth of published data for proton spectra. Chapter 2 reviews the current methods for labelling compounds with tritium and the relationship of observed patterns of labelling to these methods. Chapter 3 describes applications of 3H nmr spectroscopy to research in the life sciences which illustrate the power of the technique. Studies employing this analytical tool have revealed numerous interesting and indeed unexpected results in the behaviour of tritium atoms in labelled molecules. These studies have included applications of tritiated compounds in analytical and biochemical problems, in problems of catalysis and reaction mechanisms, and in other areas of scientific research. (author)

  8. The Quiet Renaissance of Protein NMR

    Barrett, Paul J.; Chen, Jiang; Cho, Min-Kyu; Kim, Ji-Hun; Lu, Zhenwei; Mathew, Sijo; Peng, Dungeng; Song, Yuanli; Van Horn, Wade D.; Zhuang, Tiandi; Sönnichsen, Frank D.; Sanders, Charles R.

    2013-01-01

    From roughly 1985 through the start of the new millennium, the cutting edge of solution protein nuclear magnetic resonance (NMR) spectroscopy was to a significant extent driven by the aspiration to determine structures. Here we survey recent advances in protein NMR that herald a renaissance in which a number of its most important applications reflect the broad problem-solving capability displayed by this method during its classical era during the 1970s and early 80s. “Without receivers fitted and kept in order, the air may tingle and thrill with the message, but it will not reach my spirit and consciousness.” Mary Slessor, Calabar, circa 1910 PMID:23368985

  9. Theory of mirrored time domain sampling for NMR spectroscopy

    Ghosh, Arindam; Wu, Yibing; He, Yunfen; Szyperski, Thomas

    2011-12-01

    A generalized theory is presented for novel mirrored hypercomplex time domain sampling (MHS) of NMR spectra. It is the salient new feature of MHS that two interferograms are acquired with different directionality of time evolution, that is, one is sampled forward from time t = 0 to the maximal evolution time tmax, while the second is sampled backward from t = 0 to - tmax. The sampling can be accomplished in a (semi) constant time or non constant-time manner. Subsequently, the two interferograms are linearly combined to yield a complex time domain signal. The manifold of MHS schemes considered here is defined by arbitrary settings of sampling phases ('primary phase shifts') and amplitudes of the two interferograms. It is shown that, for any two given primary phase shifts, the addition theorems of trigonometric functions yield the unique linear combination required to form the complex signal. In the framework of clean absorption mode (CAM) acquisition of NMR spectra being devoid of residual dispersive signal components, 'secondary phase shifts' represent time domain phase errors which are to be eliminated. In contrast, such secondary phase shifts may be introduced by experimental design in order to encode additional NMR parameters, a new class of NMR experiments proposed here. For generalization, it is further considered that secondary phase shifts may depend on primary phase shifts and/or sampling directionality. In order to compare with MHS theory, a correspondingly generalized theory is derived for widely used hypercomplex ('States') sampling (HS). With generalized theory it is shown, first, that previously introduced 'canonical' schemes, characterized by primary phases being multiples of π/4, afford maximal intensity of the desired absorptive signals in the absence of secondary phase shifts, and second, how primary phases can be adjusted to maximize the signal intensity provided that the secondary phase shifts are known. Third, it is demonstrated that theory

  10. Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR

    van der Schot, Gijs; Bonvin, Alexandre M. J. J.

    2016-01-01

    We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on unassigned NOE lists (Huang et al. in J Am Chem Soc 127:1665–1674, 2005b, doi:10.1021/ja047109h). We compare the original submissions using a previous version of the server based on Rosetta version 2.6 ...

  11. Free elements resonator: design and simulation, application to NMR imaging

    The free elements resonator, has a bird cage structure. It is made with purely inductively coupled circuits which are individually pre-tuned. The resonance frequency is adjusted by a simultaneous rotation of elements that preserves the coil symmetry. The radiofrequency functioning can be analysis by the usual set of coupled differential equations leading to the resonant modes. In the work presented here the formal analysis is completed by a simulation based on software (Pspice). The characteristics of each element (resistance, self-inductance, capacitance) are Firstly measured, as well as the mutual inductance between each couple of elements. Then the resonant modes and the corresponding current and voltage distribution are obtained to evaluate the radiofrequency field. Using this approach, a free elements bird-cage for efficient operation at 2 Tesla is designed. (authors)

  12. Perspective of diffusion of imaging technologies

    Medical imaging is dependant on the following techniques (ultra sounds, conventional radiology, digital radiology, X-ray computed tomography, NMR imaging, nuclear medicine). An overview of the forecast for world market evolution of medical imaging and the respective part taken by different techniques are presented

  13. Benzhydroximic Acids - NMR Study of Trimethylsilyl Derivatives

    Schraml, Jan; Kvíčalová, Magdalena; Soukupová, Ludmila; Blechta, Vratislav; Exner, Otto

    2000-01-01

    Roč. 597, 1-2 (2000), s. 200-205. ISSN 0022-328X R&D Projects: GA AV ČR IAA4072605; GA MŠk LB98233 Keywords : trimethylsilyl derivatives * substituted benzhydroximic acids * NMR chemical shifts Subject RIV: CC - Organic Chemistry Impact factor: 1.632, year: 2000

  14. NMR study of multiferroic iron niobate perovskites

    Kouřil, K.; Chlan, V.; Štěpánková, H.; Řezníček, R.; Laguta, Valentyn; Raevski, I. P.

    Warszawa : Polish Academy of Sciences, 2015, s. 234-236. ISSN 0587-4246. [The European Conference PHYSICS OF MAGNETISM 2014/PM'14/. Poznań (PL), 23.06.2014-27.06.2014] R&D Projects: GA ČR GA13-11473S Institutional support: RVO:68378271 Keywords : multiferroics * magnetism * NMR Subject RIV: BM - Solid Matter Physics ; Magnetism

  15. The bar coil for NMR tomograph

    The bar coil (bi-planar) for the NMR tomograph, designed for medical diagnostics, has been described. The tests of coil shown that it generates good homogenous magnetic field in a big volume what results in improving of the signal-to-noise ratio

  16. Molecular dynamics - NMR experiments and simulations

    Dračínský, Martin; Hodgkinson, P.; Kessler, Jiří; Bouř, Petr

    Brno : Masaryk University Press, 2015 - (Sklenář, V.). s. 277-278 ISBN 978-80-210-7890-1. [EUROMAR 2015. 05.07.2015-10.07.2015, Praha] Institutional support: RVO:61388963 Keywords : molecular dynamics * NMR spectroscopy * MD simulations Subject RIV: CF - Physical ; Theoretical Chemistry

  17. Novel NMR Method for Organic Aerosol Analysis

    Horník, Štěpán

    Prague: Institute of Chemical Process Fundamental of the CAS, v. v. i, 2015 - (Bendová, M.; Wagner, Z.), s. 20-21 ISBN 978-80-86186-70-2. [Bažant Postgraduate Conference 2015. Prague (CZ)] Institutional support: RVO:67985858 Keywords : nmr method * organic aerosol composition * analysis Subject RIV: CF - Physical ; Theoretical Chemistry

  18. Novel NMR Method for Organic Aerosol Analysis

    Horník, Štěpán

    Prague : Institute of Chemical Process Fundamental of the CAS, v. v. i, 2015 - (Bendová, M.; Wagner, Z.), s. 20-21 ISBN 978-80-86186-70-2. [Bažant Postgraduate Conference 2015. Prague (CZ)] Institutional support: RVO:67985858 Keywords : nmr method * organic aerosol composition * analysis Subject RIV: CF - Physical ; Theoretical Chemistry

  19. Hyperpolarized NMR Probes for Biological Assays

    Sebastian Meier

    2014-01-01

    Full Text Available During the last decade, the development of nuclear spin polarization enhanced (hyperpolarized molecular probes has opened up new opportunities for studying the inner workings of living cells in real time. The hyperpolarized probes are produced ex situ, introduced into biological systems and detected with high sensitivity and contrast against background signals using high resolution NMR spectroscopy. A variety of natural, derivatized and designed hyperpolarized probes has emerged for diverse biological studies including assays of intracellular reaction progression, pathway kinetics, probe uptake and export, pH, redox state, reactive oxygen species, ion concentrations, drug efficacy or oncogenic signaling. These probes are readily used directly under natural conditions in biofluids and are often directly developed and optimized for cellular assays, thus leaving little doubt about their specificity and utility under biologically relevant conditions. Hyperpolarized molecular probes for biological NMR spectroscopy enable the unbiased detection of complex processes by virtue of the high spectral resolution, structural specificity and quantifiability of NMR signals. Here, we provide a survey of strategies used for the selection, design and use of hyperpolarized NMR probes in biological assays, and describe current limitations and developments.

  20. Combining solid-state NMR spectroscopy with first-principles calculations - a guide to NMR crystallography.

    Ashbrook, Sharon E; McKay, David

    2016-06-01

    Recent advances in the application of first-principles calculations of NMR parameters to periodic systems have resulted in widespread interest in their use to support experimental measurement. Such calculations often play an important role in the emerging field of "NMR crystallography", where NMR spectroscopy is combined with techniques such as diffraction, to aid structure determination. Here, we discuss the current state-of-the-art for combining experiment and calculation in NMR spectroscopy, considering the basic theory behind the computational approaches and their practical application. We consider the issues associated with geometry optimisation and how the effects of temperature may be included in the calculation. The automated prediction of structural candidates and the treatment of disordered and dynamic solids are discussed. Finally, we consider the areas where further development is needed in this field and its potential future impact. PMID:27117884

  1. Studies of Lung Micromechanics via Hyperpolarized Helium-3 Diffusion NMR

    Hajari, Adam James

    While high quality MR Images of lungs are difficult to obtain with conventional proton MRI due to the organ's low tissue density, the advent of techniques in noble gas polarization have enabled MR investigations of the lung's more abundant air space rather than its tissue. In addition to high-resolution images of lung ventilation, lung morphometry via gas diffusion NMR provides information about the size and shape of the microscopic airways that account for over 95% of the lung's airspace. Consequently, gas diffusion NMR provides an important new tool for investigating changes in lung microstructure during macroscopic changes in lung volume. Despite decades of research into the mechanisms of lung inflation and deflation, there is little consensus about whether macroscopic changes in lung volume occur due to changes in the size and/or shape of alveoli and alveolar ducts or by alveolar recruitment and derecruitment. In this dissertation lung morphometry is performed via 3He diffusion MRI in order to measure the average alveolar depth and alveolar duct radius at multiple levels of both inspiration and expiration in in vivo human subjects and in explanted human and canine lungs. Average alveolar volume, surface area, and the total number of alveoli at each lung volume are calculated from the 3He morphometric parameters. The results suggest that human lungs inflate/deflate primarily by recruitment/derecruitment of alveoli, and that individual alveolar ducts in both human and canine lungs increase in volume non-isotropically by accordion-like extension. The results further suggest that this change in alveolar duct volume is the primary mechanism of lung volume change in canine lungs but is secondary to alveolar recruitment/derecruitment in humans.

  2. e-NMR gLite grid enabled infrastructure

    Ferreira, N.L.; Wassenaar, T.A.; de Vries, S.J.; van Dijk, M.; van der Schot, G.; van der Zwan, J.; Boelens, R.; Bonvin, A.M.J.J.; Giachetti, A.; Carotenuto, D.; Rosato, A.; Bertini, I.; Herrmann, T.; Bagaria, A.; Zharavin, V.; Jonker, H.R.A.; Güntert, P.; Schwalbe, H.; Vranken, W.F.

    2010-01-01

    The e-NMR project is an European e-infrastructure that aims at providing the bio-NMR community with a software platform integrating and streamlining computational approaches necessary for NMR data analysis. The infrastructure is grid enabled with fteen gLite based partners sharing computational reso

  3. Several Applications of NMR in Organic Chemistry Research

    CUI yuxin; LIU xuehui; XU hao

    2001-01-01

    @@ Modem NMR techniques, especially 2D-NMR have presented their powerful application in organic chemistry. Not only in structural determination, mechanism investigation, but also in solution conformation study for natural products. In this paper, various pulse field gradient NMR techniques such as COSY, NOESY, HMBC and HMQC were combined to study these problems.

  4. Petrophysical properties of greensand as predicted from NMR measurements

    Hossain, Zakir; Grattoni, Carlos A.; Solymar, Mikael;

    2011-01-01

    ABSTRACT: Nuclear magnetic resonance (NMR) is a useful tool in reservoir evaluation. The objective of this study is to predict petrophysical properties from NMR T2 distributions. A series of laboratory experiments including core analysis, capillary pressure measurements, NMR T2 measurements and i...

  5. Performance of the WeNMR CS-Rosetta3 web server in CASD-NMR

    We present here the performance of the WeNMR CS-Rosetta3 web server in CASD-NMR, the critical assessment of automated structure determination by NMR. The CS-Rosetta server uses only chemical shifts for structure prediction, in combination, when available, with a post-scoring procedure based on unassigned NOE lists (Huang et al. in J Am Chem Soc 127:1665–1674, 2005b, doi: 10.1021/ja047109h 10.1021/ja047109h ). We compare the original submissions using a previous version of the server based on Rosetta version 2.6 with recalculated targets using the new R3FP fragment picker for fragment selection and implementing a new annotation of prediction reliability (van der Schot et al. in J Biomol NMR 57:27–35, 2013, doi: 10.1007/s10858-013-9762-6 10.1007/s10858-013-9762-6 ), both implemented in the CS-Rosetta3 WeNMR server. In this second round of CASD-NMR, the WeNMR CS-Rosetta server has demonstrated a much better performance than in the first round since only converged targets were submitted. Further, recalculation of all CASD-NMR targets using the new version of the server demonstrates that our new annotation of prediction quality is giving reliable results. Predictions annotated as weak are often found to provide useful models, but only for a fraction of the sequence, and should therefore only be used with caution

  6. Solid-state NMR studies of supercapacitors.

    Griffin, John M; Forse, Alexander C; Grey, Clare P

    2016-01-01

    Electrochemical double-layer capacitors, or 'supercapacitors' are attracting increasing attention as high-power energy storage devices for a wide range of technological applications. These devices store charge through electrostatic interactions between liquid electrolyte ions and the surfaces of porous carbon electrodes. However, many aspects of the fundamental mechanism of supercapacitance are still not well understood, and there is a lack of experimental techniques which are capable of studying working devices. Recently, solid-state NMR has emerged as a powerful tool for studying the local environments and behaviour of electrolyte ions in supercapacitor electrodes. In this Trends article, we review these recent developments and applications. We first discuss the basic principles underlying the mechanism of supercapacitance, as well as the key NMR observables that are relevant to the study of supercapacitor electrodes. We then review some practical aspects of the study of working devices using ex situ and in situ methodologies and explain the key advances that these techniques have allowed on the study of supercapacitor charging mechanisms. NMR experiments have revealed that the pores of the carbon electrodes contain a significant number of electrolyte ions in the absence of any charging potential. This has important implications for the molecular mechanisms of supercapacitance, as charge can be stored by different ion adsorption/desorption processes. Crucially, we show how in situ NMR experiments can be used to quantitatively study and characterise the charging mechanism, with the experiments providing the most detailed picture of charge storage to date, offering the opportunity to design enhanced devices. Finally, an outlook for future directions for solid-state NMR in supercapacitor research is offered. PMID:26974032

  7. NMR Constraints Analyser: a web-server for the graphical analysis of NMR experimental constraints.

    Heller, Davide Martin; Giorgetti, Alejandro

    2010-07-01

    Nuclear magnetic resonance (NMR) spectroscopy together with X-ray crystallography, are the main techniques used for the determination of high-resolution 3D structures of biological molecules. The output of an NMR experiment includes a set of lower and upper limits for the distances (constraints) between pairs of atoms. If the number of constraints is high enough, there will be a finite number of possible conformations (models) of the macromolecule satisfying the data. Thus, the more constraints are measured, the better defined these structures will be. The availability of a user-friendly tool able to help in the analysis and interpretation of the number of experimental constraints per residue, is thus of valuable importance when assessing the levels of structure definition of NMR solved biological macromolecules, in particular, when high-quality structures are needed in techniques such as, computational biology approaches, site-directed mutagenesis experiments and/or drug design. Here, we present a free publicly available web-server, i.e. NMR Constraints Analyser, which is aimed at providing an automatic graphical analysis of the NMR experimental constraints atom by atom. The NMR Constraints Analyser server is available from the web-page http://molsim.sci.univr.it/constraint. PMID:20513646

  8. Nuclear magnetic resonance spectroscopy. Status and perspectives of in-vivo NMR spectroscopy as a medical diagnostic technique. Kernresonanzspektroskopie. Stand und Perspektiven der in-vivo-NMR-Spektroskopie in der medizinischen Diagnostik

    Rueterjans, H.

    1987-01-01

    Contributions by various authors who are working in the field of NMR imaging present the current status and the perspectives of in-vivo nuclear magnetic resonance spectroscopy, explaining not only the scientific and medical aspects, but also technical and physical principles as well as questions concerning practical organisation and training, and points of main interest for further research activities. (orig./TRV).

  9. Transport-related structure characteristics of FCC catalysts from sorption, porosimetric and PFG NMR measurements

    Jirglová, Hana; Zikánová, Arlette; Kočiřík, Milan; Šolcová, Olga; Kortunov, P.; Vasenkov, S.; Kärger, J.; Krystl, V.; Bernauer, B.; Drescher, B.

    Amsterdam : Elsevier, 2005 - (Čejka, J.; Žilková, N.), s. 1043-1050 ISBN 0-444-52082-1. - (Studies in Surface Science and Catalysis. Vol. 158). [International Zeolite Symposium (3rd FEZA) /3./. Praha (CZ), 23.08.2005-26.08.2005] Grant ostatní: EU Community(XE) GRD-2000-30364 Institutional research plan: CEZ:AV0Z40400503 Keywords : FCC catalysts * PFG NMR technique * SEM image Subject RIV: CF - Physical ; Theoretical Chemistry

  10. Ultra-wide bore 900 MHz high-resolution NMR at the National High Magnetic Field Laboratory

    Fu, R.; Brey, W. W.; Shetty, K.; Gor'kov, P.; Saha, S.; Long, J. R.; Grant, S. C.; Chekmenev, E. Y.; Hu, J.; Gan, Z.; Sharma, M.; Zhang, F.; Logan, T. M.; Brüschweller, R.; Edison, A.; Blue, A.; Dixon, I. R.; Markiewicz, W. D.; Cross, T. A.

    2005-11-01

    Access to an ultra-wide bore (105 mm) 21.1 T magnet makes possible numerous advances in NMR spectroscopy and MR imaging, as well as novel applications. This magnet was developed, designed, manufactured and tested at the National High Magnetic Field Laboratory and on July 21, 2004 it was energized to 21.1 T. Commercial and unique homebuilt probes, along with a standard commercial NMR console have been installed and tested with many science applications to develop this spectrometer as a user facility. Solution NMR of membrane proteins with enhanced resolution, new pulse sequences for solid state NMR taking advantage of narrowed proton linewidths, and enhanced spatial resolution and contrast leading to improved animal imaging have been documented. In addition, it is demonstrated that spectroscopy of single site 17O labeled macromolecules in a hydrated lipid bilayer environment can be recorded in a remarkably short period of time. 17O spectra of aligned samples show the potential for using this data for orientational restraints and for characterizing unique details of cation binding properties to ion channels. The success of this NHMFL magnet illustrates the potential for using a similar magnet design as an outsert for high temperature superconducting insert coils to achieve an NMR magnet with a field >25 T.

  11. Toward cardiac electrophysiological mapping based on micro-Tesla NMR: a novel modality for localizing the cardiac reentry

    Kiwoong Kim

    2012-01-01

    Matching the proton magnetic resonance frequency to the frequency of a periodic electrophysiological excitation of myocardium enables direct localization of the cardiac reentry by magnetic resonance imaging techniques. The feasibility of this new idea has been demonstrated by conducting a numerical simulation based on a realistic heart model and experimental parameters in SQUID-based micro-Tesla NMR.

  12. Toward cardiac electrophysiological mapping based on micro-Tesla NMR: a novel modality for localizing the cardiac reentry

    Kim, Kiwoong

    2012-06-01

    Matching the proton magnetic resonance frequency to the frequency of a periodic electrophysiological excitation of myocardium enables direct localization of the cardiac reentry by magnetic resonance imaging techniques. The feasibility of this new idea has been demonstrated by conducting a numerical simulation based on a realistic heart model and experimental parameters in SQUID-based micro-Tesla NMR.

  13. Toward cardiac electrophysiological mapping based on micro-Tesla NMR: a novel modality for localizing the cardiac reentry

    Kiwoong Kim

    2012-06-01

    Full Text Available Matching the proton magnetic resonance frequency to the frequency of a periodic electrophysiological excitation of myocardium enables direct localization of the cardiac reentry by magnetic resonance imaging techniques. The feasibility of this new idea has been demonstrated by conducting a numerical simulation based on a realistic heart model and experimental parameters in SQUID-based micro-Tesla NMR.

  14. Solid state NMR of biopolymers and synthetic polymers

    Solid state NMR has been invaluable in evaluating the structure, phase separation, and dynamics of polymers. Because polymers are generally used in the solid state, solid state NMR is especially powerful because it provides information about the materials in their native state. This review gives a general overview of solid state NMR, concentrating on solid state 13 C and 2 H NMR. It then focuses on two examples: the biopolymer spider silka and the engineering material polyurethane. It illustrates how solid state NMR can provide new information about synthetic and bio-polymers. (author)

  15. Nuclear magnetic resonance imaging in orthopedics

    NMR imaging (MR tomography) allows the non-invasive diagnostic evaluation of cartilage, ligaments, tendons and muscles of the limbs, joints and the vertebral spine. The images are characterized by a good spatial resolution, and in contrast to the X-ray CT, sectional images can be done in all planes, as well as three-dimensional image reconstructions. The book reviews the current state of the art and foreseeable developments of NMR imaging of the supporting and connective tissue, also discussing the application of paramagnetic contrast media, and the novel NMR spectroscopy as a method pointing into the future. All contributions discussing the clinical aspects have been written jointly by experts in orthopedics and radiology. (orig.) With 153 figs., 8 tabs

  16. Nuclear spin noise in NMR revisited

    Ferrand, Guillaume; Huber, Gaspard; Luong, Michel; Desvaux, Hervé

    2015-09-01

    The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes possible to reproduce all observed experimental features: variation of the NMR resonance linewidth as a function of the transmission line phase, nuclear spin-noise signals appearing as a "bump" or as a "dip" superimposed on the average electronic noise level even for a spin system and probe at the same temperature, pure in-phase Lorentzian spin-noise signals exhibiting non-vanishing frequency shifts. Extensive comparisons to experimental measurements validate the model predictions, and define the conditions for obtaining pure in-phase Lorentzian-shape nuclear spin noise with a vanishing frequency shift, in other words, the conditions for simultaneously obtaining the spin-noise and frequency-shift tuning optima.

  17. Nuclear spin noise in NMR revisited

    Ferrand, Guillaume; Luong, Michel; Desvaux, Hervé

    2015-01-01

    The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite, preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes possible to reproduce all observed experimental features: variation of the NMR resonance linewidth as a function of the transmission line phase, nuclear spin-noise signals appearing as a "bump" or as a "dip" superimposed on the average electronic noise level even for a spin system and probe at the same temperature, pure in-phase Lorentzian spin-noise signals exhibiting non-vanishing frequency shifts. Extensive comparison to experimental measurements validate the model predictions, and define the conditions for obtaining pure in-phase Lorentzian-shape nuclear spin noise with a vanishing frequency shift, in other words, the conditions for simultaneously obtaining the Spin-Noise and Frequency-Shift Tuning Optima.

  18. TROSY NMR with partially deuterated proteins.

    Eletsky, A; Kienhöfer, A; Pervushin, K

    2001-06-01

    TROSY-type optimization of liquid-state NMR experiments is based on the preservation of unique coherence transfer pathways with distinct transverse relaxation properties. The broadband decoupling of the 1H spins interchanges the TROSY and anti-TROSY magnetization transfer pathways and thus is not used in TROSY-type triple resonance experiments or is replaced with narrowband selective decoupling. To achieve the full advantage of TROSY, the uniform deuteration of proteins is usually required. Here we propose a new and general method for 1H broadband decoupling in TROSY NMR, which does not compromise the relaxation optimization in the 15N-1H moieties, but uniformly and efficiently refocuses the 1JCH scalar coupling evolution in the 13C-1H moieties. Combined with the conventional 2H decoupling, this method enables obtaining high sensitivity TROSY-type triple resonance spectra with partially deuterated or fully protonated 13C,15N labeled proteins. PMID:11495249

  19. NMR Quantum Calculations of the Jones Polynomial

    Marx, Raimund; Kauffman, Louis; Lomonaco, Samuel; Spörl, Andreas; Pomplun, Nikolas; Myers, John; Glaser, Steffen J

    2009-01-01

    The repertoire of problems theoretically solvable by a quantum computer recently expanded to include the approximate evaluation of knot invariants, specifically the Jones polynomial. The experimental implementation of this evaluation, however, involves many known experimental challenges. Here we present experimental results for a small-scale approximate evaluation of the Jones Polynomial by nuclear-magnetic resonance (NMR), in addition we show how to escape from the limitations of NMR approaches that employ pseudo pure states. Specifically, we use two spin 1/2 nuclei of natural abundance chloroform and apply a sequence of unitary transforms representing the Trefoil Knot, the Figure Eight Knot and the Borromean Rings. After measuring the state of the molecule in each case, we are able to estimate the value of the Jones Polynomial for each of the knots.

  20. Some nitrogen-14 NMR studies in solids

    Pratum, T.K.

    1983-11-01

    The first order quadrupolar perturbation of the /sup 14/N NMR spectrum yields information regarding the static and dynamic properties of the surrounding electronic environment. Signal to noise problems caused by long /sup 14/N longitudinal relaxation times (T/sub 1/) and small equilibrium polarizations are reduced by rotating frame cross polarization (CP) experiments between /sup 14/N and /sup 1/H. Using quadrupolar echo and CP techniques, the /sup 14/N quadrupolar coupling constants (e/sup 2/qQ/h) and asymmetry parameters (eta) have been obtained for a variety of tetraalkylammonium compounds by observation of their quadrupolar powder patterns at various temperatures. For choline chloride and iodide the /sup 14/N NMR powder patterns exhibit the effects of anisotropic molecular motion, while choline bromide spectra show no such effects.

  1. An NMR study on shale wettability

    Odusina, Elijah; Sondergeld, Carl; Rai, Chandra [University of Oklahoma (United States)

    2011-07-01

    In recent years, the importance of shales as unconventional gas resources has grown significantly. It is therefore important to reach a better understanding of their petrophysical properties. One of the important rock properties that is directly linked to successful hydrocarbon recovery is wettability. This paper presents a study on shale wettability using nuclear magnetic resonance (NMR) to monitor sequential imbibition of brine and oil. Due to the presence of mineralogical variations, low permeability and viscosity, and complex pore structure, the interpretation of wettability using conventional approaches becomes complex. Samples that included 21 core plugs from the Eagle Ford shale, 12 from the Barnett, 11 from the Floyd, and 10 from the Woodford shale were analyzed. The NMR study confirmed the water-wet behavior of Berea sandstone. From the study, it was seen that the Woodford shale showed more affinity for dodecane than did the other shales.

  2. DNA oligonucleotide conformations: high resolution NMR studies

    The present work describes a DNA double-helix model, which is well comparable with the models derived from fibre-diffraction studies. The model has a mononucleotide repeat with torsion angles in accordance with average geometries as derived from 1H NMR studies. Special attention was paid to reduce the number of short H-H nonbonding contacts, which are abundantly present in the 'classical' fibre-diffraction models. Chapter 3 describes the first complete assignment of a 1H NMR spectrum of a DNA tetramer, d(TAAT). Preliminary conformational data derived from the spectral parameters recorded at 27 0C are given. A more detailed analysis employing temperature-dependence studies is given in Chapter 4. (Auth.)

  3. NMR spectral analysis using prior knowledge

    Kasai, Takuma; Nagata, Kenji; Okada, Masato; Kigawa, Takanori

    2016-03-01

    Signal assignment is a fundamental step for analyses of protein structure and dynamics with nuclear magnetic resonance (NMR). Main-chain signal assignment is achieved with a sequential assignment method and/or an amino-acid selective stable isotope labeling (AASIL) method. Combinatorial selective labeling (CSL) methods, as well as our labeling strategy, stable isotope encoding (SiCode), were developed to reduce the required number of labeled samples, since one of the drawbacks of AASIL is that many samples are needed. Signal overlapping in NMR spectra interferes with amino-acid determination by CSL and SiCode. Since spectral deconvolution by peak fitting with a gradient method cannot resolve closely overlapped signals, we developed a new method to perform both peak fitting and amino acid determination simultaneously, with a replica exchange Monte Carlo method, incorporating prior knowledge of stable-isotope labeling ratios and the amino-acid sequence of the protein.

  4. Fully automated system for pulsed NMR measurements

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

  5. 1H NMR in a-Si

    Carlos, W. E.; Taylor, P. C.

    1982-10-01

    Results of pulsed NMR studies of hydrogen in a-Si: H prepared at several laboratories by glow discharge of silane are presented. The origins of the two 1H NMR lines seen in almost all samples of a-Si: H are discussed. Solid-echo measurements are presented which indicate that these two components are due to spatially isolated groups of protons. We attribute the narrow line to protons slightly clustered in the bulk of the material and the broad line to protons distributed on internal surfaces. The spin-lattice relaxation time shows a minimum at T~30 K which is interpreted as due to relaxation via spin diffusion to a small number of H2 molecules acting as relaxation centers. Annealing results suggest that all the hydrogen molecules are trapped in very similar sites.

  6. Some nitrogen-14 NMR studies in solids

    The first order quadrupolar perturbation of the 14N NMR spectrum yields information regarding the static and dynamic properties of the surrounding electronic environment. Signal to noise problems caused by long 14N longitudinal relaxation times (T1) and small equilibrium polarizations are reduced by rotating frame cross polarization (CP) experiments between 14N and 1H. Using quadrupolar echo and CP techniques, the 14N quadrupolar coupling constants (e2qQ/h) and asymmetry parameters (eta) have been obtained for a variety of tetraalkylammonium compounds by observation of their quadrupolar powder patterns at various temperatures. For choline chloride and iodide the 14N NMR powder patterns exhibit the effects of anisotropic molecular motion, while choline bromide spectra show no such effects

  7. NMR studies of nucleic acid dynamics

    Al-Hashimi, Hashim M.

    2013-12-01

    Nucleic acid structures have to satisfy two diametrically opposite requirements; on one hand they have to adopt well-defined 3D structures that can be specifically recognized by proteins; on the other hand, their structures must be sufficiently flexible to undergo very large conformational changes that are required during key biochemical processes, including replication, transcription, and translation. How do nucleic acids introduce flexibility into their 3D structure without losing biological specificity? Here, I describe the development and application of NMR spectroscopic techniques in my laboratory for characterizing the dynamic properties of nucleic acids that tightly integrate a broad set of NMR measurements, including residual dipolar couplings, spin relaxation, and relaxation dispersion with sample engineering and computational approaches. This approach allowed us to obtain fundamental new insights into directional flexibility in nucleic acids that enable their structures to change in a very specific functional manner.

  8. Nuclear spin noise in NMR revisited

    Ferrand, Guillaume; Luong, Michel [Laboratoire d’Ingénierie des Systèmes Accélérateurs et des Hyperfréquences, SACM, CEA, Université Paris-Saclay, CEA/Saclay, F-91191 Gif-sur-Yvette (France); Huber, Gaspard; Desvaux, Hervé, E-mail: herve.desvaux@cea.fr [Laboratoire Structure et Dynamique par Résonance Magnétique, NIMBE, CEA, CNRS, Université Paris-Saclay, CEA/Saclay, F-91191 Gif-sur-Yvette (France)

    2015-09-07

    The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes possible to reproduce all observed experimental features: variation of the NMR resonance linewidth as a function of the transmission line phase, nuclear spin-noise signals appearing as a “bump” or as a “dip” superimposed on the average electronic noise level even for a spin system and probe at the same temperature, pure in-phase Lorentzian spin-noise signals exhibiting non-vanishing frequency shifts. Extensive comparisons to experimental measurements validate the model predictions, and define the conditions for obtaining pure in-phase Lorentzian-shape nuclear spin noise with a vanishing frequency shift, in other words, the conditions for simultaneously obtaining the spin-noise and frequency-shift tuning optima.

  9. Nuclear spin noise in NMR revisited

    The theoretical shapes of nuclear spin-noise spectra in NMR are derived by considering a receiver circuit with finite preamplifier input impedance and a transmission line between the preamplifier and the probe. Using this model, it becomes possible to reproduce all observed experimental features: variation of the NMR resonance linewidth as a function of the transmission line phase, nuclear spin-noise signals appearing as a “bump” or as a “dip” superimposed on the average electronic noise level even for a spin system and probe at the same temperature, pure in-phase Lorentzian spin-noise signals exhibiting non-vanishing frequency shifts. Extensive comparisons to experimental measurements validate the model predictions, and define the conditions for obtaining pure in-phase Lorentzian-shape nuclear spin noise with a vanishing frequency shift, in other words, the conditions for simultaneously obtaining the spin-noise and frequency-shift tuning optima

  10. Probing Organometallic Reactions With 19F NMR

    Hawrelak, Eric James

    2002-01-01

    This dissertation explores fundamental aspects of the reaction of group 4 metallocenes with methylaluminoxane (MAO) that lead to active Ziegler-Natta olefin polymerization catalysts. A novel experimental approach is described, in which a unique spectroscopic probe (a fluorinated substituent) is attached to the metallocene ancillary ligands and the metallocene/MAO mixtures are analyzed using 19F NMR spectroscopy. Group 4 metallocene dimethides bearing pentafluorophenyl (C6F5) substituents ...

  11. NMR investigations of G-quadruplex structures

    Bessi, Irene

    2016-01-01

    This thesis deals with the NMR characterization of the structure and the folding dynamics of DNA G quadruplexes as potential therapeutic target in cancer therapy and building block for DNA based nanotechnology. The first part of this thesis (Chapters 1-5) introduces the reader to the world of G quadruplexes. The main features of the classic Watson Crick double helix and alternative non B DNA structures are illustrated in Chapter 1. Many different base pairing schemes are possible, besid...

  12. NMR of 1,2-dioxiquinolines

    Several derivates of quinoline are known for presenting pharmacological activity as antibiotics and anti-parasites, from which an important group are the antibiotics for the treatment of malaria and infections of the urinary tract. This work presents the structures and the NMR spectra of three new derivates of quinoline. These compounds are being tested as possible antibiotics for the treatment of urinary infections caused by Escherichia coli which are extremely resistant to other types of antibiotics

  13. NMR Studies on Organic and Biological Solids

    Yang, Chen

    2015-01-01

    Solid-state NMR (SSNMR) studies on biomolecules and organic molecular crystals are presented here. The biological part of the work is focused on improving resolution and sensitivity of SSNMR techniques for larger protein systems, while the studies on organic molecular crystals extend the application of SSNMR to determining the crystal structure of a photoreaction intermediate. First, a long-observation-window band-selective homonuclear decoupling scheme is introduced. The homonuclear decoupli...

  14. Structure of high-resolution NMR spectra

    Corio, PL

    2012-01-01

    Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra.The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments.Physicists, chemists, and researchers will find the book a valuable reference text.

  15. Funktionelle NMR-Mikroskopie an Pflanzenwurzeln

    Kaufmann, Ilja

    2009-01-01

    Als nicht-invasive Methode bietet die magnetische Kernspinresonanztomographie durch ihre Vielzahl an messbaren Größen wie Wassergehalt und Flussgeschwindigkeiten gute Voraussetzungen, um funktionelle Abläufe in Pflanzen und insbesondere Pflanzenwurzeln zu untersuchen. Für funktionelle NMR-Mikroskopie notwendige Hardware und Methoden wurden in dieser Arbeit entwickelt und angewendet. Aufgrund der starken Suszeptibilitätsunterschiede in den Proben und der notwendigen Zeitauflösung für funktione...

  16. Randomization improves sparse sampling in multidimensional NMR

    Hoch, Jeffrey C.; Maciejewski, Mark W.; Filipovic, Blagoje

    2008-01-01

    While a number of strategies have been developed to reduce data collection requirements for multidimensional NMR based on non-Fourier methods of spectrum analysis, there is an increasing awareness that the principal differences in the performance of these methods is attributable to the sampling strategies employed, and not the method of spectrum analysis per se. The ability of maximum entropy reconstruction to utilize essentially arbitrary sampling schemes makes it an useful platform for comp...

  17. Magnetic resonance imaging of the central nervous system

    Brant-Zawadzki, M.; Norman, D.

    1987-01-01

    This book presents the papers on technological advancement and diagnostic uses g magnetic resonance imaging. A comparative evaluation with computerized tomography is presented. Topics covered are imaging principles g magnetic resonance;instrumentation of magnetic resonance (MR);pathophysiology;quality and limitations g images;NMR imaging of brain and spinal cord;MR spectroscopy and its applications;neuroanatomy;Congenital malformations of brain and MR imaging;planning g MR imaging of spine and head and neck imaging.

  18. Rhodopsin-lipid interactions studied by NMR.

    Soubias, Olivier; Gawrisch, Klaus

    2013-01-01

    The biophysical properties of the lipid matrix are known to influence function of integral membrane proteins. We report on a sample preparation method for reconstitution of membrane proteins which uses porous anodic aluminum oxide (AAO) filters with 200-nm-wide pores of high density. The substrate permits formation of tubular, single membranes that line the inner surface of pores. One square centimeter of filter with a thickness of 60μm yields on the order of 500cm(2) of solid-supported single bilayer surface, sufficient for NMR studies. The tubular bilayers are free of detergent, fully hydrated, and accessible for ligands from one side of the membrane. The use of AAO filters greatly improves reproducibility of the reconstitution process such that the influence of protein on lipid order parameters can be studied with high resolution. As an example, results for the G protein-coupled receptor of class A, bovine rhodopsin, are shown. By (2)H NMR order parameter measurements, it is detected that rhodopsin insertion elastically deforms membranes near the protein. Furthermore, by (1)H saturation-transfer NMR under conditions of magic angle spinning, we demonstrate detection of preferences in interactions of rhodopsin with particular lipid species. It is assumed that function of integral membrane proteins depends on both protein-induced elastic deformations of the lipid matrix and preferences for interaction of the protein with particular lipid species in the first layer of lipids surrounding the protein. PMID:23374188

  19. Principles of high resolution NMR in solids

    Mehring, Michael

    1983-01-01

    The field of Nuclear Magnetic Resonance (NMR) has developed at a fascinating pace during the last decade. It always has been an extremely valuable tool to the organic chemist by supplying molecular "finger print" spectra at the atomic level. Unfortunately the high resolution achievable in liquid solutions could not be obtained in solids and physicists and physical chemists had to live with unresolved lines open to a wealth of curve fitting procedures and a vast amount of speculations. High resolution NMR in solids seemed to be a paradoxon. Broad structure­ less lines are usually encountered when dealing with NMR in solids. Only with the recent advent of mUltiple pulse, magic angle, cross-polarization, two-dimen­ sional and multiple-quantum spectroscopy and other techniques during the last decade it became possible to resolve finer details of nuclear spin interactions in solids. I have felt that graduate students, researchers and others beginning to get involved with these techniques needed a book which trea...

  20. Solid state NMR study of cumbaru flour

    The polysaccharide obtained by seed of Dipteryx alata Vog, has been characterised by 13C solid state, using the basic routine techniques, like MAS and CPMAS and by the proton spin-lattice relaxation time in the rotating frame parameter (T1Hρ). Knowing that the chemical structure and molecular dynamic are extremely necessary route to obtain information on the polysaccharides, this work contributes to the classification of the seed containing in the cumbaru fruit to get response on its application. To obtain the initial responses for our purposes some solid state NMR techniques were chosen. The CPMAS 13C NMR spectrum of the polysaccharide was investigated to know if it has some crystallinity. The MAS 13C NMR spectrum showed the presence of domains with distinct molecular mobility, because these domains will differ basically in the distribution size and chain packing. The variable contact time experiment was used to analyse the distribution form of 13C decays, which give us more information about sample heterogeneity. The T1HρHr values were obtained from the variable contact time and by delayed contact time experiment, because these parameter indicate the order of polysaccharides. From the values of this parameter, we found that this polysaccharide is completely non-ordered. (author)

  1. Nuclear magnetic resonance imaging of the mediastinum and hili: early impressions of its efficacy

    Nuclear magnetic resonance (NMR) scans of the mediastinum and/or hili were obtained in 22 of 25 patients selected on the basis of an abnormal CT scan. All patients had proven disease; 19 malignant and four benign processes were studied successfully. The high contrast resolution of NMR in the mediastinum allowed clear definition of disease in all cases. In six, NMR showed a greater extent of disease than CT. The ability of NMR to perform sagittal and coronal images also aided in disease analysis. In this preliminary study, NMR proved to be as useful as CT, or more so, in the evaluation of malignant disease of the hili and mediastinum

  2. Guiding automated NMR structure determination using a global optimization metric, the NMR DP score

    Huang, Yuanpeng Janet, E-mail: yphuang@cabm.rutgers.edu; Mao, Binchen; Xu, Fei; Montelione, Gaetano T., E-mail: gtm@rutgers.edu [Rutgers, The State University of New Jersey, Department of Molecular Biology and Biochemistry, Center for Advanced Biotechnology and Medicine, and Northeast Structural Genomics Consortium (United States)

    2015-08-15

    ASDP is an automated NMR NOE assignment program. It uses a distinct bottom-up topology-constrained network anchoring approach for NOE interpretation, with 2D, 3D and/or 4D NOESY peak lists and resonance assignments as input, and generates unambiguous NOE constraints for iterative structure calculations. ASDP is designed to function interactively with various structure determination programs that use distance restraints to generate molecular models. In the CASD–NMR project, ASDP was tested and further developed using blinded NMR data, including resonance assignments, either raw or manually-curated (refined) NOESY peak list data, and in some cases {sup 15}N–{sup 1}H residual dipolar coupling data. In these blinded tests, in which the reference structure was not available until after structures were generated, the fully-automated ASDP program performed very well on all targets using both the raw and refined NOESY peak list data. Improvements of ASDP relative to its predecessor program for automated NOESY peak assignments, AutoStructure, were driven by challenges provided by these CASD–NMR data. These algorithmic improvements include (1) using a global metric of structural accuracy, the discriminating power score, for guiding model selection during the iterative NOE interpretation process, and (2) identifying incorrect NOESY cross peak assignments caused by errors in the NMR resonance assignment list. These improvements provide a more robust automated NOESY analysis program, ASDP, with the unique capability of being utilized with alternative structure generation and refinement programs including CYANA, CNS, and/or Rosetta.

  3. Guiding automated NMR structure determination using a global optimization metric, the NMR DP score

    ASDP is an automated NMR NOE assignment program. It uses a distinct bottom-up topology-constrained network anchoring approach for NOE interpretation, with 2D, 3D and/or 4D NOESY peak lists and resonance assignments as input, and generates unambiguous NOE constraints for iterative structure calculations. ASDP is designed to function interactively with various structure determination programs that use distance restraints to generate molecular models. In the CASD–NMR project, ASDP was tested and further developed using blinded NMR data, including resonance assignments, either raw or manually-curated (refined) NOESY peak list data, and in some cases 15N–1H residual dipolar coupling data. In these blinded tests, in which the reference structure was not available until after structures were generated, the fully-automated ASDP program performed very well on all targets using both the raw and refined NOESY peak list data. Improvements of ASDP relative to its predecessor program for automated NOESY peak assignments, AutoStructure, were driven by challenges provided by these CASD–NMR data. These algorithmic improvements include (1) using a global metric of structural accuracy, the discriminating power score, for guiding model selection during the iterative NOE interpretation process, and (2) identifying incorrect NOESY cross peak assignments caused by errors in the NMR resonance assignment list. These improvements provide a more robust automated NOESY analysis program, ASDP, with the unique capability of being utilized with alternative structure generation and refinement programs including CYANA, CNS, and/or Rosetta

  4. Radiographic imaging of aids

    Gasmalla, O A A K

    2002-01-01

    Over the past decade, many different imaging techniques have been proposed and shown to be capable of producing NMR images. Four Gd-based contrast agents for intravenous administration are now being used and tested nationally and internationally. Two of these are ionic (magnevist , dotarem) and two are non-ionic (omni scan, prohance). This article review information about MR imaging contrast agents, their types, chemical components, administration and reaction, to enable MR user to be aware of the basic pharmacokinetics, side effects and the potential for adverse events.

  5. Radiographic imaging of aids

    Over the past decade, many different imaging techniques have been proposed and shown to be capable of producing NMR images. Four Gd-based contrast agents for intravenous administration are now being used and tested nationally and internationally. Two of these are ionic (magnevist , dotarem) and two are non-ionic (omni scan, prohance). This article review information about MR imaging contrast agents, their types, chemical components, administration and reaction, to enable MR user to be aware of the basic pharmacokinetics, side effects and the potential for adverse events

  6. Drying effect on cement paste porosity at early age observed by NMR methods

    FAURE, Paméla; CARE, Sabine; Magat, Julie; Chaussadent, Thierry

    2012-01-01

    Nuclear Magnetic Resonance (NMR) methods (imaging and relaxation time) allow studying water content and porous network in cementitious materials. Hydration of cement pastes with two water to cement ratios (W/C of 0.4 and 0.45) has been studied under two conditions (with drying or without drying) at early age. The objectives of this study were, firstly to determine the water content and the drying mechanisms with Magnetic Resonance Imaging (MRI) and to validate this result with oven-drying met...

  7. Direct synthesis of magnetite nanoparticles from iron(II) carboxymethylcellulose and their performance as NMR contrast agents

    da Silva, Delmarcio Gomes; Hiroshi Toma, Sergio; de Melo, Fernando Menegatti; Carvalho, Larissa Vieira C.; Magalhães, Alvicler; Sabadini, Edvaldo; dos Santos, Antônio Domingues; Araki, Koiti; Toma, e. Henrique E.

    2016-01-01

    Iron(II) carboxymethylcellulose (CMC) has been successfully employed in the synthesis of hydrophylic magnetite nanoparticles stabilized with a biopolymer coating, aiming applications in NMR imaging. The new method encompasses a convenient one-step synthetic procedure, allowing a good size control and yielding particles of about 10 nm (core size). In addition to the biocompatibility, the nanoparticles have promoted a drastic reduction in the transverse relaxation time (T2) of the water protons. The relaxivity rates have been investigated as a function of the nanoparticles concentration, showing a better performance in relation to the common NMR contrast agents available in the market.

  8. Rotaxane-mediated suppression and activation of cucurbit[6]uril for molecular detection by (129)Xe hyperCEST NMR.

    Finbloom, Joel A; Slack, Clancy C; Bruns, Carson J; Jeong, Keunhong; Wemmer, David E; Pines, Alexander; Francis, Matthew B

    2016-02-21

    We report a method for blocking interactions between (129)Xe and cucurbit[6]uril (CB6) until activation by a specific chemical event. We synthesized a CB6-rotaxane that allowed no (129)Xe interaction with the CB6 macrocycle component until a cleavage event released the CB6, which then produced a (129)Xe@CB6 NMR signal. This contrast-upon-activation (129)Xe NMR platform allows for modular synthesis and can be expanded to applications in detection and disease imaging. PMID:26795714

  9. Portable NMR systems for non destructive testing

    Nuclear Magnetic Resonance (NMR) is one of the more recent sensing technologies and has become very popular for its ability to non-invasively probe down to the molecular level the properties of many materials and living organisms. Its greatest impact has been in the areas of chemistry and medical radiology, but now it is being applied to biochemistry, structural biology, and materials science research. In the past ten years, NMR has made significant contributions to horticulture, biotechnology, chemical engineering, petroleum science and food technology and now stands on the threshold of making an impact on environmental monitoring, building technology, and security technology. Traditionally NMR/MRI is performed using laboratory or clinic based superconducting magnets, but now it is moving out into industry in the form of portable permanent magnet based systems. NMR development is being driven by advancements in electronics, computing and magnet technology and so continues to advance in capability and application. In the building industry, it is often necessary to determine the moisture content of concrete so that it can be optimally cured for strength or to know when floor coverings can be applied. Presently the only way to accurately gauge the true moisture content is to use destructive techniques. This is the method that Parrot used to generate the graph shown in figure 1. Typically the industry yardstick of a 'month per inch' is used for estimating the time required before the concrete surface can be covered, but from this data it is clear that even after a year there can still remain a significant amount of moisture. Concrete is inherently porous and so is greatly affected by the environment and the laying process methods. This makes it very difficult to make predictions based on calibrated standards. What is required is a portable instrument that can be taken to a site to non-destructively obtain the moisture content. NMR technology is now being developed for

  10. Magnetic Field Gradient Calibration as an Experiment to Illustrate Magnetic Resonance Imaging

    Seedhouse, Steven J.; Hoffmann, Markus M.

    2008-01-01

    A nuclear magnetic resonance (NMR) spectroscopy experiment for the undergraduate physical chemistry laboratory is described that encompasses both qualitative and quantitative pedagogical goals. Qualitatively, the experiment illustrates how images are obtained in magnetic resonance imaging (MRI). Quantitatively, students experience the…

  11. Physics, imaging and detection: review of the 3. physics talks, September 17-18, 1998

    This book presents some recent advances in imaging procedures in medicine (ultrasonic echography, elasto-graphy, optics in diffusing media, speckle method, NMR imaging) and in Earth tomography (plate tectonics and asthenosphere convection). (J.S.)

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

    After outlining the chemical features and properties which make zeolites such an important group of catalysts and sorbents, the article explains how high-resolution solid-state NMR with magic-angle spinning reveals numerous new insights into their structure. 29Si-MAS-NMR readily and quantitatively identifies five distinct Si(OAl)sub(n)(OSi)sub(4-n) structural groups in zeolitic frameworks (n=0,1,...4), corresponding to the first tetrahedral coordination shell of a silicon atom. Many catalytic and other chemical properties of zeolites are governed by the short-range Si, Al order, the nature of which is greatly clarified by 29Si-MAS-NMR. (orig./EF)

  13. A portable Halbach magnet that can be opened and closed without force: The NMR-CUFF

    Windt, Carel W.; Soltner, Helmut; Dusschoten, Dagmar van; Blümler, Peter

    2011-01-01

    Portable equipment for nuclear magnetic resonance (NMR) is becoming increasingly attractive for use in a variety of applications. One of the main scientific challenges in making NMR portable is the design of light-weight magnets that possess a strong and homogeneous field. Existing NMR magnets can provide such magnetic fields, but only for small samples or in small regions, or are rather heavy. Here we show a simple yet elegant concept for a Halbach-type permanent magnet ring, which can be opened and closed with minimal mechanical force. An analytical solution for an ideal Halbach magnet shows that the magnetic forces cancel if the structure is opened at an angle of 35.3° relative to its poles. A first prototype weighed only 3.1 kg, and provided a flux density of 0.57 T with a homogeneity better than 200 ppm over a spherical volume of 5 mm in diameter without shimming. The force needed to close it was found to be about 20 N. As a demonstration, intact plants were imaged and water (xylem) flow measured. Magnets of this type (NMR-CUFF = Cut-open, Uniform, Force Free) are ideal for portable use and are eminently suited to investigate small or slender objects that are part of a larger or immobile whole, such as branches on a tree, growing fruit on a plant, or non-metallic tubing in industrial installations. This new concept in permanent-magnet design enables the construction of openable, yet strong and homogeneous magnets, which aside from use in NMR or MRI could also be of interest for applications in accelerators, motors, or magnetic bearings.

  14. Optimal nuclear magnetic resonance excitation schemes for the central transition of a spin 3/2 in the presence of residual quadrupolar coupling.

    Lee, Jae-Seung; Regatte, Ravinder R; Jerschow, Alexej

    2008-12-14

    Optimal control theory is applied for enhancing the intensity of the central peak of a spin 3/2 signal in the presence of a residual quadrupolar coupling. While a maximum enhancement is always possible in the regime omega(rf) control and test these with (23)Na NMR in this regime. In addition to enhancing the intensity of the central transition signal, the satellite peaks can be effectively suppressed, which is a useful feature for the implementation in (23)Na imaging sequences. PMID:19071931

  15. Fast automated protein NMR data collection and assignment by ADAPT-NMR on Bruker spectrometers

    Lee, Woonghee; Hu, Kaifeng; Tonelli, Marco; Bahrami, Arash; Neuhardt, Elizabeth; Glass, Karen C.; Markley, John L.

    2013-11-01

    ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) supports automated NMR data collection and backbone and side chain assignment for [U-13C, U-15N]-labeled proteins. Given the sequence of the protein and data for the orthogonal 2D 1H-15N and 1H-13C planes, the algorithm automatically directs the collection of tilted plane data from a variety of triple-resonance experiments so as to follow an efficient pathway toward the probabilistic assignment of 1H, 13C, and 15N signals to specific atoms in the covalent structure of the protein. Data collection and assignment calculations continue until the addition of new data no longer improves the assignment score. ADAPT-NMR was first implemented on Varian (Agilent) spectrometers [A. Bahrami, M. Tonelli, S.C. Sahu, K.K. Singarapu, H.R. Eghbalnia, J.L. Markley, PLoS One 7 (2012) e33173]. Because of broader interest in the approach, we present here a version of ADAPT-NMR for Bruker spectrometers. We have developed two AU console programs (ADAPT_ORTHO_run and ADAPT_NMR_run) that run under TOPSPIN Versions 3.0 and higher. To illustrate the performance of the algorithm on a Bruker spectrometer, we tested one protein, chlorella ubiquitin (76 amino acid residues), that had been used with the Varian version: the Bruker and Varian versions achieved the same level of assignment completeness (98% in 20 h). As a more rigorous evaluation of the Bruker version, we tested a larger protein, BRPF1 bromodomain (114 amino acid residues), which yielded an automated assignment completeness of 86% in 55 h. Both experiments were carried out on a 500 MHz Bruker AVANCE III spectrometer equipped with a z-gradient 5 mm TCI probe. ADAPT-NMR is available at http://pine.nmrfam.wisc.edu/ADAPT-NMR in the form of pulse programs, the two AU programs, and instructions for installation and use.

  16. ULF-NMR system using HTS-SQUID and permanent magnet

    Highlights: ► A permanent magnet was introduced into a ULF SQUID-NMR system for polarization. ► An instrument to transfer a sample in the magnet to under a SQUID was implemented. ► An AC pulse coil was also introduced to apply a π/2 pulse to obtain an NMR signal. ► A 1H NMR signal was measured while applying a static field of 45 μT. ► The signal to noise ratio of the 1H NMR signal was about 100. -- Abstract: We have constructed an ultra-low field (ULF) nuclear magnetic resonance (NMR)/magnetic resonance imaging (MRI) system using an HTS-rf-SQUID and room-temperature electromagnets in a magnetically shielded room (MSR). In this study, in order to improve the signal to noise ratio (S/N) of the system, we introduced a permanent magnet instead of the electromagnet for pre-polarizing the sample to enhance the pre-polarizing field (Bp). The cylindrical permanent magnet of 270 mT was used to magnetize a water sample for several seconds outside the MSR and about 1.5 m away from the SQUID. We constructed an instrument to transfer the magnetized sample from the permanent magnet to under the SQUID in 0.5 s. Since the non-adiabatic condition cannot be kept in such sample transfer scheme, an AC pulse coil to apply an AC pulse field BAC to rotate the magnetization moments for π/2 was introduced to measure a free induction decay (FID) signal from the sample. By this system, we obtained an NMR signal from the water sample of 10 ml while applying a static field of 45 μT and π/2 pulse after the transfer. The S/N of the NMR spectrum was about 100 by a single shot, which was 10 times larger than that obtained with the electromagnet of 32 mT. In addition, we demonstrated the measurements of the longitudinal relaxation time (T1) and the spin echo signal of the water sample by the system

  17. Isotope labeling for NMR studies of macromolecular structure and interactions

    Wright, P.E. [Scripps Research Institute, La Jolla, CA (United States)

    1994-12-01

    Implementation of biosynthetic methods for uniform or specific isotope labeling of proteins, coupled with the recent development of powerful heteronuclear multidimensional NMR methods, has led to a dramatic increase in the size and complexity of macromolecular systems that are now amenable to NMR structural analysis. In recent years, a new technology has emerged that combines uniform {sup 13}C, {sup 15}N labeling with heteronuclear multidimensional NMR methods to allow NMR structural studies of systems approaching 25 to 30 kDa in molecular weight. In addition, with the introduction of specific {sup 13}C and {sup 15}N labels into ligands, meaningful NMR studies of complexes of even higher molecular weight have become feasible. These advances usher in a new era in which the earlier, rather stringent molecular weight limitations have been greatly surpassed and NMR can begin to address many central biological problems that involve macromolecular structure, dynamics, and interactions.

  18. In-cell NMR in Xenopus laevis oocytes.

    Thongwichian, Rossukon; Selenko, Philipp

    2012-01-01

    For the purpose of studying IDPs inside cells of higher organisms, several eukaryotic in-cell NMR systems have been developed over the past years. In this chapter we will focus on high-resolution in-cell NMR applications in Xenopus laevis oocytes, the first eukaryotic cellular model system to be established. In contrast to prokaryotic in-cell NMR samples, eukaryotic in-cell NMR specimens are prepared by cytoplasmic delivery of an exogenously produced, isotope-labeled protein into the non-isotope-labeled environment of the respective "host" cell. In-cell NMR applications in Xenopus oocytes rely on intracellular sample deposition by direct microinjection into the oocyte cytoplasm. Here, we describe the preparation of oocyte in-cell NMR samples for IDP studies in this cellular model environment. PMID:22760310

  19. 13C-NMR assignment, structure, and dynamics of deoxyoligonucleotides

    The unique spectral properties of 13C-NMR for studying nucleic acids and some of the important features of 13C-NMR in oligonucleotide studies are demostrated. The main difficulty in studying oligonucleotides by 13C-NMR and recent improvements in NMR instrumentation and advances in oligonucleotide synthesis are presented. The high resolution 13C-NMR spectra, T1 relaxation times and NOEs were measured for duplex of the self-complementary oligo-DNAs: d(CG)3 and d(GGTATACC) are studied. The target of this study is to developed a systematic 13C-NMR spectral assignment and to investigate the structure and dynamics of these two sequences by this techniques. (M.J.C.)

  20. The Expanding Role of NMR in Drug Discovery and Development

    2002-01-01

    @@ The role of NMR in the pharmaceutical industry has changed dramatically over the last decade. Once thought of as an analytical technique used primarily to support synthetic chemistry, NMR now has an important role in the investigation of biochemical changes involved in clinical diseases and drug toxicity. It is also used extensively to elucidate the structures of drug metabolites. Data obtained using LC NMR MS and 19F NMR will be used to illustrate the utility of hyphenated methods in identifying xenobiotic metabolites as part of a drug development program. The application of NMR to the study of potential drug toxicity will also be described using the cationic, amphiphilic drugs chloroquine and amiodarone. These drugs are known to induce phospholipidosis characterized by lysosomal lamellar bodies and drug accumulation. Using a metabonomic approach, NMR spectroscopy of urine allowed the identification of a combination of urinary biomarkers of phospholipidosis.

  1. Nuclear magnetic resonance imaging at microscopic resolution

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

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

  2. Optical hyperpolarization and NMR detection of $^{129}$Xe on a microfluidic chip

    Jimenez-Martinez, Ricardo; Rosenbluh, Michael; Donley, Elizabeth A; Knappe, Svenja; Seltzer, Scott J; Ring, Hattie L; Bajaj, Vikram S; Kitching, John

    2014-01-01

    Optically hyperpolarized $^{129}$Xe gas has become a powerful contrast agent in nuclear magnetic resonance (NMR) spectroscopy and imaging, with applications ranging from studies of the human lung to the targeted detection of biomolecules. Equally attractive is its potential use to enhance the sensitivity of microfluidic NMR experiments, in which small sample volumes yield poor sensitivity. Unfortunately, most $^{129}$Xe polarization systems are large and non-portable. Here we present a microfabricated chip that optically polarizes $^{129}$Xe gas. We have achieved $^{129}$Xe polarizations greater than 0.5$\\%$ at flow rates of several microliters per second, compatible with typical microfluidic applications. We employ in situ optical magnetometry to sensitively detect and characterize the $^{129}$Xe polarization at magnetic fields of 1 $\\mu$T. We construct the device using standard microfabrication techniques, which will facilitate its integration with existing microfluidic platforms. This device may enable the...

  3. A smoothing monotonic convergent optimal control algorithm for NMR pulse sequence design

    Maximov, Ivan I; Salomon, Julien; Turinici, Gabriel

    2010-01-01

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

  4. 100 years of x-rays and 50 years of NMR

    Discovery of x-rays by W.C. Roentgen was the result of systematic probing into a chance observation. Ever since their discovery, one hundred years ago, x-rays have contributed significantly towards human health and scientific research. These contributions will continue to grow exponentially, with the development of synchrotron sources of x-rays and solid state detectors. Nuclear magnetic resonance (NMR), discovered 50 years ago independently by Bloch and Purcell, also has evolved tremendously since its discovery. The development of Fourier transform and multidimensional NMR has enabled structures of biological macromolecules to be determined in solution, thereby providing information complementary to that obtained from x-ray techniques. The techniques of magnetic resonance imaging and x-ray transmission computed tomography are proving invaluable in the diagnosis and treatment of human disease. (author). 16 refs., 11 figs., 2 tabs

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

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

    1988-01-01

    SAPO-5 was synthesized using triethylamine as template. Magic-angle-spinning (MAS) NMR of 1H, 27Al, 29Si and 31P was used to study the silicon incorporation into the framework and the nature of the Brønsted sites. 1H MAS NMR shows two types of bridging hydroxyl groups. 29Si MAS NMR indicates that silicon substitutes mostly for phosphorus and that there is a small amount of crystalline SiO 2 in the zeolite powder.

  6. Classical model for bulk-ensemble NMR quantum computation

    Schack, R.; Caves, C. M.

    1999-01-01

    We present a classical model for bulk-ensemble NMR quantum computation: the quantum state of the NMR sample is described by a probability distribution over the orientations of classical tops, and quantum gates are described by classical transition probabilities. All NMR quantum computing experiments performed so far with three quantum bits can be accounted for in this classical model. After a few entangling gates, the classical model suffers an exponential decrease of the measured signal, whe...

  7. Studies on irradiation stability of polystyrene by NMR

    ZHAO Xin; SUN Wan-Fu; XIE Cheng-Xi

    2004-01-01

    The irradiation stability of polystyrene (PS) was studied by 13C and 1H NMR spectra, Nuclear Overhauser Relaxation (NOE) and 13C NMR spin-lattice relaxation time (T1). The results indicate that 13C and 1H NMR chemical shifts, NOE and T1 were almost invariant with the increase of irradiation dose. This shows that polystyrene is particularly stable within 2.5 kGy doses and the mechanism of its stability is discussed.

  8. Nuclear Magnetic Resonance Logging While Drilling (NMR-LWD)

    Blanz, Martin; Kruspe, Thomas; Thern, Holger Frank; Kurz, Gerhard Alfons

    2015-01-01

    NMR T2 distribution measurement is our chosen everyday method for NMR logging while drilling oil and gas wells. This method yields straightforward preparation and execution of the job as well as a normally easy interpretation of the measured data. For instance, gas and light oil discrimination against water is feasible by direct observation of the T2 distribution. A condition for this measurement method is a NMR logging tool that hardly moves while drilling and in addition uses a small static...

  9. Solid-state NMR studies of globular and membrane proteins

    Luca, Sorin

    2003-01-01

    Spektroskopie erlaubt die Eigenschaften und Struktur der Materie durch Einsatz elektromagnetischer Strahlung auf molekularer Ebene zu untersuchen. Die Kernspinresonanz (NMR) ist ein spezielles Gebiet der Spektroskopie, die die magnetischen Eigenschaften der Atomkerne auswertet. Ein kurzer Überblick über die historischen Weiterentwicklungen im Bereich der NMR ergibt sich aus einer Betrachtung der Nobelpreise, die bisher im Zusammenhang der NMR vergeben wurden: 1952 empfingen Felix Bloch und Ed...

  10. NMR Studies of Quantum Rotors Confined in Zeolite

    Ji, Yu; Hamida, J. A.; Sullivan, N. S.

    2010-02-01

    We report the results of NMR studies of methane trapped in zeolite at low temperatures. Samples were prepared to contain 1.0±0.2 molecules per α-sodalite cage of zeolite-13X. The NMR spin-spin and spin-lattice relaxation times were measured for 4NMR spin-spin relaxation is seen at this “melting” transition.

  11. Hochfeld 1H-NMR-Mikroskopie zur biophysikalischen Grundlagenforschung

    Haddad, Daniel

    2005-01-01

    Dank der mit modernen NMR-Spektrometern (Kernspintomographen) routinemäßig realisierbaren isotropen räumlichen Auflösungen von wenigen Mikrometern, ergeben sich für die 1H NMR-Mikroskopie zahlreiche neue Anwendungsgebiete. Allerdings sind die Möglichkeiten und Grenzen der NMR-Mikroskopie bezüglich ihrer praktischen Anwendbarkeit bisher nur wenig untersucht worden. Die vorliegende Arbeit ist im Bereich der biophysikalischen Grundlagenforschung angesiedelt und soll die praktische Anwendbarkeit ...

  12. Preparation of uniformly isotope labeled KcsA for solid state NMR: expression, purification, reconstitution into liposomes and functional assay.

    Bhate, Manasi P; Wylie, Benjamin J; Thompson, Ameer; Tian, Lin; Nimigean, Crina; McDermott, Ann E

    2013-10-01

    We report the expression, purification, liposome reconstitution and functional validation of uniformly (13)C and (15)N isotope labeled KcsA, a bacterial potassium channel that has high homology with mammalian channels, for solid-state NMR studies. The expression and purification is optimized for an average yield of ∼35-40mg/L of M9 media in a time-efficient way. The protein purity is confirmed by gel electrophoresis and the protein concentration is quantified by UV-vis absorption spectroscopy. Protocols to efficiently reconstitute KcsA into liposomes are also presented. The presence of liposomes is confirmed by cryo-electron microscopy images and the effect of magic angle spinning on liposome packing is shown. High-resolution solid-state NMR spectra of uniformly isotope labeled KcsA in these liposomes reveal that our protocol yields to a very homogenous KcsA sample with high signal to noise and several well-resolved residues in NMR spectra. Electrophysiology of our samples before and after solid-state NMR show that channel function and selectivity remain intact after the solid-state NMR. PMID:23916531

  13. Monitoring organic reactions by UF-NMR spectroscopy.

    Herrera, Antonio; Fernández-Valle, Encarnación; Martínez-Álvarez, Roberto; Molero-Vílchez, Dolores; Pardo-Botero, Zulay D; Sáez-Barajas, Elena

    2015-11-01

    Standard 2D NMR experiments suffer from the many t1 increments needed for spectra with sufficient digital resolution in the indirect dimension. Despite the different methodological approaches to overcome this problem, these increments have prevented studies of fast reactions. The development of ultrafast NMR (UF-NMR) has decisively speeded up the time scale of standard NMR to allow the study of organic reactions as they happen in real time to reveal mechanistic details. This mini-review summarizes the results achieved in monitoring organic reactions through this exciting technique. PMID:25998506

  14. Optimization and practical implementation of ultrafast 2D NMR experiments

    Luiz H. K. Queiroz Júnior

    2013-01-01

    Full Text Available Ultrafast 2D NMR is a powerful methodology that allows recording of a 2D NMR spectrum in a fraction of second. However, due to the numerous non-conventional parameters involved in this methodology its implementation is no trivial task. Here, an optimized experimental protocol is carefully described to ensure efficient implementation of ultrafast NMR. The ultrafast spectra resulting from this implementation are presented based on the example of two widely used 2D NMR experiments, COSY and HSQC, obtained in 0.2 s and 41 s, respectively.

  15. Optimization and practical implementation of ultrafast 2D NMR experiments

    Queiroz Junior, Luiz H. K., E-mail: professorkeng@gmail.com [Universidade Federal de Sao Carlos (UFSC), SP (Brazil). Departamento de Quimica; Universidade Federal de Goias (UFGO), Goiania, GO (Brazil). Inst. de Quimica; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSC), SP (Brazil). Departamento de Quimica; Giraudeau, Patrick [Universite de Nantes (France). CNRS, Chimie et Interdisciplinarite: Synthese, Analyse, Modelisation

    2013-09-01

    Ultrafast 2D NMR is a powerful methodology that allows recording of a 2D NMR spectrum in a fraction of second. However, due to the numerous non-conventional parameters involved in this methodology its implementation is no trivial task. Here, an optimized experimental protocol is carefully described to ensure efficient implementation of ultrafast NMR. The ultrafast spectra resulting from this implementation are presented based on the example of two widely used 2D NMR experiments, COSY and HSQC, obtained in 0.2 s and 41 s, respectively. (author)

  16. Rotational Doppler Effect and Barnett Field in Spinning NMR

    Chudo, Hiroyuki; Harii, Kazuya; Matsuo, Mamoru; Ieda, Jun'ichi; Ono, Masao; Maekawa, Sadamichi; Saitoh, Eiji

    2015-04-01

    We report the observation of the rotational Doppler effect using nuclear magnetic resonance (NMR). We have developed a coil-spinning technique that enables measurements by rotating a detector and fixing a sample. We found that the rotational Doppler effect gives rise to NMR frequency shifts equal to the rotation frequency. We formulate the rotational Doppler effect and the Barnett field using a vector model for the nuclear magnetic moment. This formulation reveals that, with just the sample rotating, both effects cancel each other, thereby explaining the absence of an NMR frequency shift in conventional sample-spinning NMR measurements.

  17. Structural study of pyrones by NMR

    Extracts of two species of Aniba, designed Aniba-SA (light petroleum extract) and Aniba-SB (benzene extract), afforded by chromatographic fraccionation some compounds. The isolated compounds were identified using spectrometric data and C13-NMR coupled and decompled spectra of pyrones were registered. Measurement of the heteronuclear residual coupling by irradiation proton frequency off-resonance was used for distinguish C-5, C-7 and C-8 carbons of the pyrones SB-1, SB-3, SB-4 and SB-5. (M.J.C.)

  18. Wideband transmitter for pulse NMR spectrometer

    A wideband pulse transmitter for NMR excitation in fields of up to 2.4 T (except for 1H, 1F, 203Tl, and 205Tl nuclei) is described. The transmitter provides a pulse power of 400-600 W into a 50-Omega load at frequencies of 2-40 MHz. The transmitter is equipped with a pulse programmer, which allows independent setting, in each of 16 program steps, of pulse durations or pauses of from 10-7 to 103 sec, output powers of from 0 to -63 dB, and a phase of radio-frequency filling of 0 or 1800

  19. Solid state NMR study calcium phosphate ceramics

    High-resolution 31P and 1H NMR spectra at 40 and 121 MHz 31P and 300 MHz 1H of synthetic and biological samples of calcium phosphates have been obtained by magic angle spinning (MAS) at spinning speeds up to 6.5 kHz, and high power proton decoupling. The samples include crystalline hydroxyapatite, a deficient hydroxyapatite characterized by a Ca/P atomic ratio of 1.5, a poorly crystallized hydroxyapatite, monetite, brushite, octacalcium phosphate, β-tricalcium phosphate and rabbit femoral bone. The interactions between nuclei in unlike structures and the mobility of acid protons are discussed. (author). 11 refs.; 2 figs.; 1 tab

  20. In Vivo Measurements of NMR Relaxation Times

    Kroeker, Randall M.; Mcveigh, Elliot R.; Hardy, Peter; Bronskill, Michael J.; Henkelman, R. Mark

    1985-01-01

    A series of solenoidal NMR probes were built to measure T1 and T2 relaxation times in vivo in the mouse, over the frequency range of 5 to 60 MHz, using inversion-recovery and spin-echo pulse sequences. KHT tumors growing in the legs of C3H mice were studied and compared with normal mouse legs. The tumor relaxation times were studied at 10 MHz during the course of tumor growth and as a function of frequency when the tumor had a mass of approximately 0.9 g. Mouse legs with tumors have higher T1...

  1. Analysis of multiple pulse NMR in solids

    Rhim, W.-K.; Elleman, D. D.; Vaughan, R. W.

    1973-01-01

    The general problems associated with the removal of the effects of dipolar broadening from solid-state NMR spectra are analyzed. The effects of finite pulse width and H sub 1 inhomogeneity are shown to have limited the resolution of previous pulse cycles, and a new eight-pulse cycle designed to minimize these problems is discussed. Spectra for F-19 in CaF2 taken with this cycle are presented which show residual linewidth near 10 Hz. The feasibility of measuring proton chemical shift tensors is discussed.

  2. Extracting protein dynamics information from overlapped NMR signals using relaxation dispersion difference NMR spectroscopy

    Protein dynamics plays important roles in many biological events, such as ligand binding and enzyme reactions. NMR is mostly used for investigating such protein dynamics in a site-specific manner. Recently, NMR has been actively applied to large proteins and intrinsically disordered proteins, which are attractive research targets. However, signal overlap, which is often observed for such proteins, hampers accurate analysis of NMR data. In this study, we have developed a new methodology called relaxation dispersion difference that can extract conformational exchange parameters from overlapped NMR signals measured using relaxation dispersion spectroscopy. In relaxation dispersion measurements, the signal intensities of fluctuating residues vary according to the Carr-Purcell-Meiboon-Gill pulsing interval, whereas those of non-fluctuating residues are constant. Therefore, subtraction of each relaxation dispersion spectrum from that with the highest signal intensities, measured at the shortest pulsing interval, leaves only the signals of the fluctuating residues. This is the principle of the relaxation dispersion difference method. This new method enabled us to extract exchange parameters from overlapped signals of heme oxygenase-1, which is a relatively large protein. The results indicate that the structural flexibility of a kink in the heme-binding site is important for efficient heme binding. Relaxation dispersion difference requires neither selectively labeled samples nor modification of pulse programs; thus it will have wide applications in protein dynamics analysis

  3. Extracting protein dynamics information from overlapped NMR signals using relaxation dispersion difference NMR spectroscopy

    Konuma, Tsuyoshi [Icahn School of Medicine at Mount Sinai, Department of Structural and Chemical Biology (United States); Harada, Erisa [Suntory Foundation for Life Sciences, Bioorganic Research Institute (Japan); Sugase, Kenji, E-mail: sugase@sunbor.or.jp, E-mail: sugase@moleng.kyoto-u.ac.jp [Kyoto University, Department of Molecular Engineering, Graduate School of Engineering (Japan)

    2015-12-15

    Protein dynamics plays important roles in many biological events, such as ligand binding and enzyme reactions. NMR is mostly used for investigating such protein dynamics in a site-specific manner. Recently, NMR has been actively applied to large proteins and intrinsically disordered proteins, which are attractive research targets. However, signal overlap, which is often observed for such proteins, hampers accurate analysis of NMR data. In this study, we have developed a new methodology called relaxation dispersion difference that can extract conformational exchange parameters from overlapped NMR signals measured using relaxation dispersion spectroscopy. In relaxation dispersion measurements, the signal intensities of fluctuating residues vary according to the Carr-Purcell-Meiboon-Gill pulsing interval, whereas those of non-fluctuating residues are constant. Therefore, subtraction of each relaxation dispersion spectrum from that with the highest signal intensities, measured at the shortest pulsing interval, leaves only the signals of the fluctuating residues. This is the principle of the relaxation dispersion difference method. This new method enabled us to extract exchange parameters from overlapped signals of heme oxygenase-1, which is a relatively large protein. The results indicate that the structural flexibility of a kink in the heme-binding site is important for efficient heme binding. Relaxation dispersion difference requires neither selectively labeled samples nor modification of pulse programs; thus it will have wide applications in protein dynamics analysis.

  4. Nuclear magnetic resonance imaging in urologic diseases, 1

    NMR imaging was performed in 12 cases (10 cases of renal cell carcinoma and 2 cases of angiomyolipoma) and compared with computed tomography. The NMR imager, Toshiba model MRT 15 A with magnet of 1500 gauss, was used and images were produced in transverse, coronal and sagittal directions with different repetition times, delay times and echo times. The characteristic images associated with renal tumors were demonstrated. The renal contour was usually sharp at normal side and easily distinguished from perinephric fat which appeared white. The cortex and medullary pyramids were distinguished in excellent images. The lumen of aorta, cava and renal vessels appeared black, because flowing blood allowed little or no signal to be detected within the imaged plane. The images of vessels were valuable to diagnose the tumor embolus. Signal intensity of renal cell carcinoma was lower than the renal parenchyma and the intensity of the big angiomyolipoma was strong like fatty tissue and valuable to distinguish from renal cell carcinoma. In general, it had been shown that the Tl relaxation time of malignant tumor was longer than the corresponding normal tissue, but the renal Tl value was not examined in the series, because the measurement of Tl value did not show good reproducibility. The coronal section of NMR images gave the most valuable information in the case which had tumors in the upper or lower pole of the kidney. In this study, CT demonstrated superior resolution to NMR, but NMR was advantageous in terms of coronal and sagittal images and the information about blood flow. The ability of NMR imaging to distinguish solid from cystic renal lesions appeared almost similar to CT. While much more clinical experience is necessary before the exact role of NMR imaging in renal tumors is known, its future appears very bright. (author)

  5. Diffusion NMR methods applied to xenon gas for materials study

    Mair, R. W.; Rosen, M. S.; Wang, R.; Cory, D. G.; Walsworth, R. L.

    2002-01-01

    We report initial NMR studies of (i) xenon gas diffusion in model heterogeneous porous media and (ii) continuous flow laser-polarized xenon gas. Both areas utilize the pulsed gradient spin-echo (PGSE) techniques in the gas phase, with the aim of obtaining more sophisticated information than just translational self-diffusion coefficients--a brief overview of this area is provided in the Introduction. The heterogeneous or multiple-length scale model porous media consisted of random packs of mixed glass beads of two different sizes. We focus on observing the approach of the time-dependent gas diffusion coefficient, D(t) (an indicator of mean squared displacement), to the long-time asymptote, with the aim of understanding the long-length scale structural information that may be derived from a heterogeneous porous system. We find that D(t) of imbibed xenon gas at short diffusion times is similar for the mixed bead pack and a pack of the smaller sized beads alone, hence reflecting the pore surface area to volume ratio of the smaller bead sample. The approach of D(t) to the long-time limit follows that of a pack of the larger sized beads alone, although the limiting D(t) for the mixed bead pack is lower, reflecting the lower porosity of the sample compared to that of a pack of mono-sized glass beads. The Pade approximation is used to interpolate D(t) data between the short- and long-time limits. Initial studies of continuous flow laser-polarized xenon gas demonstrate velocity-sensitive imaging of much higher flows than can generally be obtained with liquids (20-200 mm s-1). Gas velocity imaging is, however, found to be limited to a resolution of about 1 mm s-1 owing to the high diffusivity of gases compared with liquids. We also present the first gas-phase NMR scattering, or diffusive-diffraction, data, namely flow-enhanced structural features in the echo attenuation data from laser-polarized xenon flowing through a 2 mm glass bead pack. c2002 John Wiley & Sons, Ltd.

  6. Novel Techniques for Pulsed Field Gradient NMR Measurements

    Brey, William Wallace

    application in research areas ranging from functional imaging to NMR microscopy.

  7. New generation NMR bioreactor coupled with high-resolution NMR spectroscopy leads to novel discoveries in Moorella thermoaceticum metabolic profiles

    Xue, Junfeng; Isern, Nancy G.; Ewing, R James; Liyu, Andrey V.; Sears, Jesse A.; Knapp, Harlan; Iversen, Jens; Sisk, Daniel R.; Ahring, Birgitte K.; Majors, Paul D.

    2014-06-20

    An in-situ nuclear magnetic resonance (NMR) bioreactor was developed and employed to monitor microbial metabolism under batch-growth conditions in real time. We selected Moorella thermoacetica ATCC 49707 as a test case. M. thermoacetica (formerly Clostridium thermoaceticum) is a strictly anaerobic, thermophilic, acetogenic, gram-positive bacterium with potential for industrial production of chemicals. The metabolic profiles of M. thermoacetica were characterized during growth in batch mode on xylose (a component of lignocellulosic biomass) using the new generation NMR bioreactor in combination with high-resolution, high sensitivity NMR (HR-NMR) spectroscopy. In-situ NMR measurements were performed using water-suppressed H-1 NMR spectroscopy at an NMR frequency of 500 MHz, and aliquots of the bioreactor contents were taken for 600 MHz HR-NMR spectroscopy at specific intervals to confirm metabolite identifications and expand metabolite coverage. M. thermoacetica demonstrated the metabolic potential to produce formate, ethanol and methanol from xylose, in addition to its known capability of producing acetic acid. Real-time monitoring of bioreactor conditions showed a temporary pH decrease, with a concomitant increase in formic acid during exponential growth. Fermentation experiments performed outside of the magnet showed that the strong magnetic field employed for NMR detection did not significantly affect cell metabolism. Use of the in-situ NMR bioreactor facilitated monitoring of the fermentation process in real time, enabling identification of intermediate and end-point metabolites and their correlation with pH and biomass produced during culture growth. Real-time monitoring of culture metabolism using the NMR bioreactor in combination with the HR-NMR spectroscopy will allow optimization of the metabolism of microorganisms producing valuable bioproducts.

  8. NMR study of high-TC superconductors

    Recent NMR study of high-TC superconductors carried out by Osaka group is reviewed. NQR frequency νQ, Knight shift K, T1 of 63Cu and 17O were measured over a wide hole doping range from light- to heavy-doped systems, LSCO, YBCO, HBCCO, BSCCO, TBCCO and TBCO, together with impurity and pressure effect. By analysing νQ, K and T1, the local hole numbers of Cu and O at the CuO2 plane, n(Cu) and n(O) the relative magnitude of the uniform susceptibility, χ0 and the low-frequency component of the antiferromagnetic spin fluctuations (AFSF), χQ/Γ (χQ is the staggered susceptibility and Γ is the characteristic energy of the spin fluctuation at q=0) are obtained. The relation between n(Cu), n(O) and χQ, χQ/Γ, TC, etc. were discussed. There are optimum values of n(Cu)/2n(O) and n(Cu)+2n(O) to give maximum TC. The NMR results in the superconducting state are well-explained by d-wave pairing model. The result is consistent with the AFSF mediated superconducting model. (orig.)

  9. Nuclear magnetic resonance (NMR)-based metabolomics.

    Keun, Hector C; Athersuch, Toby J

    2011-01-01

    Biofluids are by far the most commonly studied sample type in metabolic profiling studies, encompassing blood, urine, cerebrospinal fluid, cell culture media and many others. A number of these fluids can be obtained at a high sampling frequency with minimal invasion, permitting detailed characterisation of dynamic metabolic events. One of the attractive properties of solution-state metabolomics is the ability to generate profiles from these fluids following simple preparation, allowing the analyst to gain a naturalistic, largely unbiased view of their composition that is highly representative of the in vivo situation. Solution-state samples can also be generated from the extraction of tissue or cellular samples that can be tailored to target metabolites with particular properties. Nuclear magnetic resonance (NMR) provides an excellent technique for profiling these fluids and is especially adept at characterising complex solutions. Profiling biofluid samples by NMR requires appropriate preparation and experimental conditions to overcome the demands of varied sample matrices, including those with high protein, lipid or saline content, as well as the presence of water in aqueous samples. PMID:21207299

  10. In vivo NMR spectroscopy of ripening avocado

    Ripening of avocado fruit is associated with a dramatic increase in respiration. Previous studies have indicated that the increase in respiration is brought about by activation of the glycolytic reaction catalyzing the conversion of fructose-6-phosphate to fructose 1,6-bisphosphate. The authors reinvestigated the proposed role of glycolytic regulation in the respiratory increase using in vivo 31P nuclear magnetic resonance (NMR) spectroscopy using an external surface coil and analysis of phosphofructokinase (PFK), phosphofructophosphotransferase (PFP), and fructose 2,6-bisphosphate (fru 2,6-P2) levels in ripening avocado fruit. In vivo 31P NMR spectroscopy revealed large increases in ATP levels accompanying the increase in respiration. Both glycolytic enzymes, PFK and PFP, were present in avocado fruit, with the latter activity being highly stimulated by fru 2,6-P2. Fructose 2,6-bisphosphate levels increased approximately 90% at the onset of ripening, indicating that the respiratory increase in ripening avocado may be regulated by the activation of PFP brought about by an increase in fru 2,6-P2

  11. Rapid prediction of multi-dimensional NMR data sets

    Gradmann, Sabine; Ader, Christian [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Heinrich, Ines [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Nand, Deepak [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Dittmann, Marc [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Cukkemane, Abhishek; Dijk, Marc van; Bonvin, Alexandre M. J. J. [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Engelhard, Martin [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Baldus, Marc, E-mail: m.baldus@uu.nl [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands)

    2012-12-15

    We present a computational environment for Fast Analysis of multidimensional NMR DAta Sets (FANDAS) that allows assembling multidimensional data sets from a variety of input parameters and facilitates comparing and modifying such 'in silico' data sets during the various stages of the NMR data analysis. The input parameters can vary from (partial) NMR assignments directly obtained from experiments to values retrieved from in silico prediction programs. The resulting predicted data sets enable a rapid evaluation of sample labeling in light of spectral resolution and structural content, using standard NMR software such as Sparky. In addition, direct comparison to experimental data sets can be used to validate NMR assignments, distinguish different molecular components, refine structural models or other parameters derived from NMR data. The method is demonstrated in the context of solid-state NMR data obtained for the cyclic nucleotide binding domain of a bacterial cyclic nucleotide-gated channel and on membrane-embedded sensory rhodopsin II. FANDAS is freely available as web portal under WeNMR (http://www.wenmr.eu/services/FANDAShttp://www.wenmr.eu/services/FANDAS).

  12. Solid state NMR and DFT study of polymer electrolytes

    Spěváček, Jiří; Brus, Jiří; Dybal, Jiří; Kang, Y. S.

    Linz : Institut für Organische Chemie, Johannes Kepler Universität, 2004 - (Müller, N.). s. 28 [Central European NMR Symposium /6./. 27.09.2004, Linz] R&D Projects: GA AV ČR IAA4050209 Keywords : solid polymer electrolytes * solid state NMR * quantum-chemical DFT calculation Subject RIV: CD - Macromolecular Chemistry

  13. Rapid prediction of multi-dimensional NMR data sets

    We present a computational environment for Fast Analysis of multidimensional NMR DAta Sets (FANDAS) that allows assembling multidimensional data sets from a variety of input parameters and facilitates comparing and modifying such “in silico” data sets during the various stages of the NMR data analysis. The input parameters can vary from (partial) NMR assignments directly obtained from experiments to values retrieved from in silico prediction programs. The resulting predicted data sets enable a rapid evaluation of sample labeling in light of spectral resolution and structural content, using standard NMR software such as Sparky. In addition, direct comparison to experimental data sets can be used to validate NMR assignments, distinguish different molecular components, refine structural models or other parameters derived from NMR data. The method is demonstrated in the context of solid-state NMR data obtained for the cyclic nucleotide binding domain of a bacterial cyclic nucleotide-gated channel and on membrane-embedded sensory rhodopsin II. FANDAS is freely available as web portal under WeNMR (http://www.wenmr.eu/services/FANDAShttp://www.wenmr.eu/services/FANDAS).

  14. Chemical Equilibrium in Supramolecular Systems as Studied by NMR Spectrometry

    Gonzalez-Gaitano, Gustavo; Tardajos, Gloria

    2004-01-01

    Undergraduate students are required to study the chemical balance in supramolecular assemblies constituting two or more interacting species, by using proton NMR spectrometry. A good knowledge of physical chemistry, fundamentals of chemical balance, and NMR are pre-requisites for conducting this study.

  15. Facing and Overcoming Sensitivity Challenges in Biomolecular NMR Spectroscopy

    Ardenkjær-Larsen, Jan Henrik; Boebinger, Gregory S.; Comment, Arnaud;

    2015-01-01

    of the primary approaches that were considered. Topics discussed included the future of ultrahigh‐field NMR systems, emerging NMR detection technologies, new approaches to nuclear hyperpolarization, and progress in sample preparation. All of these are orthogonal efforts, whose gains could multiply...... optical measurements. These challenges, and the ways by which scientists and engineers are striving to solve them, are also addressed....

  16. NMR study of phase separation in solutions of linear polymers

    Kouřilová, H.; Šťastná, J.; Hanyková, L.; Spěváček, Jiří

    Poznań : Adam Mickiewicz University, 2010 - (Jurga, S.). s. 27 [AMPERE NMR School. 17.06.2010-26.06.2010, Poznań - Wierzba] R&D Projects: GA ČR GA202/09/1281 Institutional research plan: CEZ:AV0Z40500505 Keywords : phase separation * polymer solution * NMR Subject RIV: CD - Macromolecular Chemistry

  17. NMR crystallography of active pharmaceuticals ingredients for industrial applications

    Urbanová, Martina; Brus, Jiří; Kobera, Libor

    Herceg Novi : Materials Research Society, 2008. s. 165. [Annual Conference YUCOMAT 2008 /10./. 08.09.2008-12.09.2008, Herceg Novi] R&D Projects: GA MŠk 2B08021 Institutional research plan: CEZ:AV0Z40500505 Keywords : MAS NMR * atorvastatin * NMR crystallography Subject RIV: CF - Physical ; Theoretical Chemistry

  18. What can be expected from NMR in reversed micelles?

    A review is given of NMR studies on reversed micellar systems since 1970. General principles are emphasized through examples which have led to relevant physico-chemical results in the area. NMR techniques or theories are not detailed in order to focus primarily on the information obtained on the micelles. (author). 50 refs.; 9 figs

  19. Development of portable NMR polarimeter system for polarized HD target

    Ohta, T; Didelez, J -P; Fujiwara, M; Fukuda, K; Kohri, H; Kunimatsu, T; Morisaki, C; Ono, S; Rouille, G; Tanaka, M; Ueda, K; Uraki, M; Utsuro, M; Wang, S Y; Yosoi, M

    2011-01-01

    A portable NMR polarimeter system has been developed to measure the polarization of a polarized Hydrogen-Deuteride (HD) target for hadron photoproduction experiments at SPring-8. The polarized HD target is produced at the Research Center for Nuclear Physics (RCNP), Osaka university and is transported to SPring-8. The HD polarization should be monitored at both places. We have constructed the portable NMR polarimeter system by replacing the devices in the conventional system with the software system with PCI eXtensions for Instrumentation (PXI). The weight of the NMR system is downsized from 80 kg to 7 kg, and the cost is reduced to 25%. We check the performance of the portable NMR polarimeter system. The signal-to-noise (S/N) ratio of the NMR signal for the portable system is about 50% of that for the conventional NMR system. This performance of the portable NMR system is proved to be compatible with the conventional NMR system for the polarization measurement.

  20. What can Lattice QCD theorists learn from NMR spectroscopists?

    Euclidean-time hadron correlation functions computed in Lattice QCD (LQCD) are modeled by a sum of decaying exponentials, reminiscent of the exponentially damped sinusoid models of free induction decay (FID) in Nuclear Magnetic Resonance (NMR) spectroscopy. We present our initial progress in studying how data modeling techniques commonly used in NMR perform when applied to LQCD data

  1. The Characterization of Comblike Polymer Electrolyte by Means of NMR

    2000-01-01

    The comblike polymers based on poly (styrene-co-maleic anhydride) backbone with poly (ethylene glycol) methyl ether as side chains were synthesized and characterized by 1H NMR, with the result compared with that of IR.It is found that it is both feasible and simple to synthesize this kind of compounds with the help of 1H NMR.

  2. Heteronuclear Multidimensional Protein NMR in a Teaching Laboratory

    Wright, Nathan T.

    2016-01-01

    Heteronuclear multidimensional NMR techniques are commonly used to study protein structure, function, and dynamics, yet they are rarely taught at the undergraduate level. Here, we describe a senior undergraduate laboratory where students collect, process, and analyze heteronuclear multidimensional NMR experiments using an unstudied Ig domain (Ig2…

  3. Dynamics in solids studied by NMR crystalography and MD simulations

    Dračínský, Martin; Šála, Michal; Hodgkinson, P.

    Baveno : -, 2015. s. 20-21. [SMASH 2015. Small Molecule NMR Conference. 20.09.2015-23.09.2015, Baveno] R&D Projects: GA ČR GA15-11223S; GA ČR GA13-24880S Institutional support: RVO:61388963 Keywords : molecular dynamics * calculations of NMR parameters * path integral molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry

  4. What can Lattice QCD theorists learn from NMR spectroscopists?

    George Fleming

    2003-06-01

    Euclidean-time hadron correlation functions computed in Lattice QCD (LQCD) are modeled by a sum of decaying exponentials, reminiscent of the exponentially damped sinusoid models of free induction decay (FID) in Nuclear Magnetic Resonance (NMR) spectroscopy. We present our initial progress in studying how data modeling techniques commonly used in NMR perform when applied to LQCD data.

  5. New generation NMR bioreactor coupled with high-resolution NMR spectroscopy leads to novel discoveries in Moorella thermoacetica metabolic profiles.

    Xue, Junfeng; Isern, Nancy G; Ewing, R James; Liyu, Andrei V; Sears, Jesse A; Knapp, Harlan; Iversen, Jens; Sisk, Daniel R; Ahring, Birgitte K; Majors, Paul D

    2014-10-01

    An in situ nuclear magnetic resonance (NMR) bioreactor was developed and employed to monitor microbial metabolism under batch growth conditions in real time. We selected Moorella thermoacetica ATCC 49707 as a test case. M. thermoacetica (formerly Clostridium thermoaceticum) is a strictly anaerobic, thermophilic, acetogenic, gram-positive bacterium with potential for industrial production of chemicals. The metabolic profiles of M. thermoacetica were characterized during growth in batch mode on xylose (a component of lignocellulosic biomass) using the new generation NMR bioreactor in combination with high-resolution NMR (HR-NMR) spectroscopy. In situ NMR measurements were performed using water-suppressed H-1 NMR spectroscopy at 500 MHz, and aliquots of the bioreactor contents were taken for 600-MHz HR-NMR spectroscopy at specific intervals to confirm metabolite identifications and expand metabolite coverage. M. thermoacetica demonstrated the metabolic potential to produce formate, ethanol, and methanol from xylose, in addition to its known capability of producing acetic acid. Real-time monitoring of bioreactor conditions showed a temporary pH decrease, with a concomitant increase in formic acid during exponential growth. Fermentation experiments performed outside of the magnet showed that the strong magnetic field employed for NMR detection did not significantly affect cell metabolism. Use of the in situ NMR bioreactor facilitated monitoring of the fermentation process, enabling identification of intermediate and endpoint metabolites and their correlation with pH and biomass produced during culture growth. Real-time monitoring of culture metabolism using the NMR bioreactor in combination with HR-NMR spectroscopy will allow optimization of the metabolism of microorganisms producing valuable bioproducts. PMID:24946863

  6. Fluid-Rock Characterization and Interactions in NMR Well Logging

    Hirasaki, George J.; Mohanty, Kishore, K.

    2001-07-13

    The objective of this project is to characterize the fluid properties and fluid-rock interactions that are needed for formation evaluation by NMR well logging. This is the first annual progress report submitted to the DOE. It reports on the work completed during the reporting period even if it may have started before this period. This project is a partnership between Professor George J. Hirasaki at Rice University and Professor Kishore Mohanty at University of Houston. In addition to the DOE, this project is supported by a consortium of oil companies and service companies. The fluid properties characterization has emphasized the departure of live oils from correlations based on dead oils. Also, asphaltic components can result in a difference between the T1 and T2 relaxation time distributions as well as reduce the hydrogen index. The fluid rock characterizations that are reported here are the effects of wettability and internal magnetic field gradients. A pore reconstruction method ha s been developed to recreate three-dimensional porous media from two-dimensional images that reproduce some of their key statistical properties. A Monte Carlo simulation technique has been developed to calculate the magnetization decay in fluid saturated porous media given their pore structure.

  7. NMR relaxometry study of plaster mortar with polymer additives

    Jumate, E.; Manea, D. [Technical University of Cluj-Napoca, Faculty of Civil Engineering. 15 C Daicoviciu Str., 400020, Cluj-Napoca (Romania); Moldovan, D.; Fechete, R. [Technical University of Cluj-Napoca, Department of Physics and Chemistry, 25 G. Baritiu Str., 400027, Cluj-Napoca (Romania)

    2013-11-13

    The cement mixed with water forms a plastic paste or slurry which stiffness in time and finally hardens into a resistant stone. The addition of sand aggregates, polymers (Walocel) and/or calcium carbonate will modify dramatically the final mortar mechanic and thermal properties. The hydration processes can be observed using the 1D NMR measurements of transverse T{sub 2} relaxation times distributions analysed by a Laplace inversion algorithm. These distributions were obtained for mortar pasta measured at 2 hours after preparation then at 3, 7 and 28 days after preparation. Multiple components are identified in the T{sub 2} distributions. These can be associated with the proton bounded chemical or physical to the mortar minerals characterized by a short T{sub 2} relaxation time and to water protons in pores with three different pore sizes as observed from SEM images. The evaporation process is faster in the first hours after preparation, while the mortar hydration (bonding of water molecules to mortar minerals) can be still observed after days or months from preparation. Finally, the mechanic resistance was correlated with the transverse T{sub 2} relaxation rates corresponding to the bound water.

  8. Dynamics of solutions and fluid mixtures by NMR

    After a short introduction to NMR spectroscopy, with a special emphasis on dynamical aspects, an overview on two fundamental aspects of molecular dynamics, NMR relaxation and its relationship with molecular reorientation, and magnetization transfer phenomena induced by molecular rate processes (dynamic NMR) is presented, followed by specific mechanisms of relaxation encountered in paramagnetic systems or with quadrupolar nuclei. Application fields are then reviewed: solvent exchange on metal ions with a variable pressure NMR approach, applications of field gradients in NMR, aggregation phenomena and micro-heterogeneity in surfactant solutions, polymers and biopolymers in the liquid state, liquid-like molecules in rigid matrices and in soft matter (swollen polymers and gels, fluids in and on inorganic materials, food)

  9. $\\beta$-NMR of copper isotopes in ionic liquids

    We propose to test the feasibility of spin-polarization and $\\beta$-NMR studies on several short-lived copper isotopes, $^{58}$ Cu, $^{74}$Cu and $^{75}$Cu in crystals and liquids. The motivation is given by biological studies of Cu with $\\beta$-NMR in liquid samples, since Cu is present in a large number of enzymes involved in electron transfer and activation of oxygen. The technique is based on spin-polarization via optical pumping in the new VITO beamline. We will use the existing lasers, NMR magnet and NMR chambers and we will prepare a new optical pumping system. The studies will be devoted to tests of achieved $\\beta$-asymmetry in solid hosts, the behaviour of asymmetry when increasing vacuum, and finally NMR scans in ionic liquids. The achieved spin polarization will be also relevant for the plans to measure with high precision the magnetic moments of neutron-rich Cu isotopes.

  10. A nomenclature and data model to describe NMR experiments

    Despite ongoing efforts in organising NMR information, there is no consistent and well-described generic standard for naming NMR experiments. The main reason for the absence of a universal naming system is that the information content of the coherence pathways is difficult to describe in full detail. We propose a system that describes the common and generic elements of the coherence pathways produced by pulse sequences. The system itself is formalised by an 'NMR experiment protocol' model, which is described in the Universal Modelling Language (UML) as part of the CCPN data model. Furthermore, normalized experiment names can be derived from this proposed model. We hope this article will stimulate discussion to organise the wealth of NMR experiments, and that by bringing this discussion into the public domain we can improve and expand our proposed system to include as much information and as many NMR experiments as possible

  11. Dynamics of antibody domains studied by solution NMR.

    Vu, Bang K; Walsh, Joseph D; Dimitrov, Dimiter S; Ishima, Rieko

    2009-01-01

    Information on local dynamics of antibodies is important to evaluate stability, to rationally design variants, and to clarify conformational disorders at the epitope binding sites. Such information may also be useful for improved understanding of antigen recognition. NMR can be used for characterization of local protein dynamics at the atomic level through relaxation measurements. Due to the complexity of the NMR spectra, an extensive use of this method is limited to small protein molecules, for example, antibody domains and some scFv. Here, we describe a protocol that was used to study the dynamics of an antibody domain in solution using NMR. We describe protein preparation for NMR studies, NMR sample optimization, signal assignments, and dynamics experiments. PMID:19252840

  12. NMR screening for rapid protein characterization in structural proteomics.

    Hill, Justine M

    2008-01-01

    In the age of structural proteomics when protein structures are targeted on a genome-wide scale, the identification of proteins that are amenable to analysis using x-ray crystallography or NMR spectroscopy is the key to high throughput structure determination. NMR screening is a beneficial part of a structural proteomics pipeline because of its ability to provide detailed biophysical information about the protein targets under investigation at an early stage of the structure determination process. This chapter describes efficient methods for the production of uniformly (15)N-labeled proteins for NMR screening using both conventional IPTG induction and autoinduction approaches in E. coli. Details of sample preparation for NMR and the acquisition of 1D (1)H NMR and 2D (1)H-(15)N HSQC spectra to assess the structural characteristics and suitability of proteins for further structural studies are also provided. PMID:18542882

  13. Fractional order analysis of Sephadex gel structures: NMR measurements reflecting anomalous diffusion

    Magin, Richard L.; Akpa, Belinda S.; Neuberger, Thomas; Webb, Andrew G.

    2011-12-01

    We report the appearance of anomalous water diffusion in hydrophilic Sephadex gels observed using pulse field gradient (PFG) nuclear magnetic resonance (NMR). The NMR diffusion data was collected using a Varian 14.1 Tesla imaging system with a home-built RF saddle coil. A fractional order analysis of the data was used to characterize heterogeneity in the gels for the dynamics of water diffusion in this restricted environment. Several recent studies of anomalous diffusion have used the stretched exponential function to model the decay of the NMR signal, i.e., exp[-( bD) α], where D is the apparent diffusion constant, b is determined the experimental conditions (gradient pulse separation, durations and strength), and α is a measure of structural complexity. In this work, we consider a different case where the spatial Laplacian in the Bloch-Torrey equation is generalized to a fractional order model of diffusivity via a complexity parameter, β, a space constant, μ, and a diffusion coefficient, D. This treatment reverts to the classical result for the integer order case. The fractional order decay model was fit to the diffusion-weighted signal attenuation for a range of b-values (0 < b < 4000 s mm -2). Throughout this range of b values, the parameters β, μ and D, were found to correlate with the porosity and tortuosity of the gel structure.

  14. Shape-changing magnetic assemblies as high-sensitivity NMR-readable nanoprobes.

    Zabow, G; Dodd, S J; Koretsky, A P

    2015-04-01

    Fluorescent and plasmonic labels and sensors have revolutionized molecular biology, helping visualize cellular and biomolecular processes. Increasingly, such probes are now being designed to respond to wavelengths in the near-infrared region, where reduced tissue autofluorescence and photon attenuation enable subsurface in vivo sensing. But even in the near-infrared region, optical resolution and sensitivity decrease rapidly with increasing depth. Here we present a sensor design that obviates the need for optical addressability by operating in the nuclear magnetic resonance (NMR) radio-frequency spectrum, where signal attenuation and distortion by tissue and biological media are negligible, where background interferences vanish, and where sensors can be spatially located using standard magnetic resonance imaging (MRI) equipment. The radio-frequency-addressable sensor assemblies presented here comprise pairs of magnetic disks spaced by swellable hydrogel material; they reversibly reconfigure in rapid response to chosen stimuli, to give geometry-dependent, dynamic NMR spectral signatures. The sensors can be made from biocompatible materials, are themselves detectable down to low concentrations, and offer potential responsive NMR spectral shifts that are close to a million times greater than those of traditional magnetic resonance spectroscopies. Inherent adaptability should allow such shape-changing systems to measure numerous different environmental and physiological indicators, thus providing broadly generalizable, MRI-compatible, radio-frequency analogues to optically based probes for use in basic chemical, biological, medical and engineering research. PMID:25778701

  15. Hearing loss and potential hazards of metallic middle-ear implants in NMR-magnetic fields

    Concurrent with the expanding clinical applications of nuclear magnetic resonance (NMR) imaging, patients with metallic middle-ear implants will certainly be exposed to this strong magnetic field in the future. To determine potential hazards, associated with movements of steel- or Platinium stapes-prostheses, several tests were performed in a 0.5 tesla NMR unit and the induced forces were calculated. Although the commonly used paramagnetic steel-wire or platinium-alloys will not dislodge in vivo, ferromagnetic prostheses may present a hazardous risk. Prior to exposure to the magnetic field, information about the implanted material should therefore be obtained. A side-effect of the induced current flow is the attenuation of the sound-vibrations of the stapes prosthesis. This, 5-10 dB impairment of transmission develops only at a certain position of the patient's head, when the prosthesis vibrates perpendicularly to the magnetic field's Z-axis. Patients with a metallic prosthesis should be informed about this purely physical, harmless phenomenon prior to entering the NMR-cylinder. (orig.)

  16. Variations of NMR signals by hyperpolarization and ultrasound; Variation von NMR-Signalen durch Hyperpolarisation und Ultraschall

    Engelbertz, A.

    2006-07-01

    In this thesis it is described how p-NMR can be applied to metals with verlo low hydrogen concentrations and how a combination of ultrasound and NMR can lead to an improvement of the measureing method. As examples measurements on H{sub 2}O and ethanol are described. (HSI)

  17. A solid state pulsed NMR spectrometer

    A 10 MHz pulsed NMR spectrometer, built using mostly solid state devices, is described. The pulse programmer provides 2-pulse, 3-pulse, saturation burst and Carr-Purcell sequences both in repetitive and manual modes of operation. The transmitter has a maximum power output of approximately 2 kW with a 75Ω output impedance termination. The total gain of the receiver system is around 120 dB with a minimum band width of 2 MHz. The recovery time of the receiver is approximately 7μsec. A two-channel boxcar integrator capable of working in the single channel, differential and double boxcar modes provides signal to noise ratio improvement. The sensitivity and the linearity of the boxcar integrator are approximately 2 mV and approximately 0.1% respectively. (auth.)

  18. NMR investigations of YMn2Hx hydrides

    The YMn2Hx hydrides with x = 1, 2, 3 were investigated by 55Mn NMR spin echo measurements at atmospheric and high pressure. Resonance lines at frequencies up to 440 MHz were observed for the hydrides, corresponding to a huge increase of the hyperfine fields at those Mn with hydrogen neighbours. At high pressure the initial decrease of the magnitude of the Mn hyperfine field of YMn2H1 at 4.2 K was found to be 4% per kbar which is an order of magnitude bigger than observed in the other magnetically ordered materials. The effects are interpreted in terms of changes of the orbital contribution and valence electron contribution to the hyperfine field caused by hydrogenation and the influence of the external pressure. (orig.)

  19. Experimental implementation of a NMR entanglement witness

    Filgueiras, J G; Auccaise, R E; Vianna, R O; Sarthour, R S; Oliveira, I S

    2012-01-01

    Entanglement witnesses (EW) allow the detection of entanglement in a quantum system, from the measurement of some few observables. They do not require the complete determination of the quantum state, which is regarded as a main advantage. On this paper it is experimentally analyzed an entanglement witness recently proposed in the context of Nuclear Magnetic Resonance (NMR) experiments to test it in some Bell-diagonal states. We also propose some optimal entanglement witness for Bell-diagonal states. The efficiency of the two types of EW's are compared to a measure of entanglement with tomographic cost, the generalized robustness of entanglement. It is used a GRAPE algorithm to produce an entangled state which is out of the detection region of the EW for Bell-diagonal states. Upon relaxation, the results show that there is a region in which both EW fails, whereas the generalized robustness still shows entanglement, but with the entanglement witness proposed here with a better performance.

  20. NMR spectroscopy assists synthetic fuels research

    There is little doubt that sources of liquid transport fuels, other than petroleum, will need to be developed for the future. While coal, oil shale and natural gas are potentially appropriate hydrocarbon resources, they all require chemical processing before a substitute crude oil (or synfuel) can be produced. There are many different possible pathways by which alternative crudes can be produced and subsequently upgraded to transport fuel quality. To develop and evaluate processing strategies it is necessary to gain some understanding of the nature of feedstocks, catalysts, process intermediates and potential final products. Nuclear Magnetic Resonance (NMR) spectroscopy has proven a useful and versatile technique for this purpose. Some contributions from this technique to coal and gas conversion research are illustrated and discussed

  1. Two-Dimensional NMR Lineshape Analysis.

    Waudby, Christopher A; Ramos, Andres; Cabrita, Lisa D; Christodoulou, John

    2016-01-01

    NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions. PMID:27109776

  2. NMR, MRI, and spectroscopic MRI in inhomogeneous fields

    Demas, Vasiliki; Pines, Alexander; Martin, Rachel W; Franck, John; Reimer, Jeffrey A

    2013-12-24

    A method for locally creating effectively homogeneous or "clean" magnetic field gradients (of high uniformity) for imaging (with NMR, MRI, or spectroscopic MRI) both in in-situ and ex-situ systems with high degrees of inhomogeneous field strength. THe method of imaging comprises: a) providing a functional approximation of an inhomogeneous static magnetic field strength B.sub.0({right arrow over (r)}) at a spatial position {right arrow over (r)}; b) providing a temporal functional approximation of {right arrow over (G)}.sub.shim(t) with i basis functions and j variables for each basis function, resulting in v.sub.ij variables; c) providing a measured value .OMEGA., which is an temporally accumulated dephasing due to the inhomogeneities of B.sub.0({right arrow over(r)}); and d) minimizing a difference in the local dephasing angle .phi.({right arrow over (r)},t)=.gamma..intg..sub.0.sup.t{square root over (|{right arrow over (B)}.sub.1({right arrow over (r)},t')|.sup.2+({right arrow over (r)}{right arrow over (G)}.sub.shimG.sub.shim(t')+.parallel.{right arrow over (B)}.sub.0({right arrow over (r)}).parallel..DELTA..omega.({right arrow over (r)},t'/.gamma/).sup.2)}dt'-.OMEGA. by varying the v.sub.ij variables to form a set of minimized v.sub.ij variables. The method requires calibration of the static fields prior to minimization, but may thereafter be implemented without such calibration, may be used in open or closed systems, and potentially portable systems.

  3. Carbon-13 NMR studies of liquid crystals

    High resolution, proton decoupled 13C nmr are observed for a series of neat nematic liquid crystals, the p-alkoxyazoxybenzenes, and a smectic-A liquid crystal, diethylazoxydibenzoate in a magnetic field of 23 kG. The (uniaxial) order parameters S = less than P2(costheta) greater than are found to be about 0.4 and 0.9 for the nematic and smectic-A phase respectively at the clearing points. The order parameter increases with decreasing temperature in the nematic phase but is constant, or nearly so, with temperature in the smectic-A phase. In the nematic series studied, the ordering exhibits an even-odd alternation along the series and qualitative agreement with a recent theory due to Marcelja is found. In both phases, the spectra show that the molecule rotates rapidly about its long axis. Tentative conclusions about molecular conformational motion and 14N spin relaxation are presented for both nematic and smectic-A phases. In the smectic-A phase, the sample is rotated about an axis perpendicular to H0 and the resulting spectra are dicusssed. The theory of observed chemical shifts in liquid crystals is discussed and equations are derived which relate the nmr spectra of liquid-crystals to the order parameters. A model for the smectic-C phase due to Luz and Meiboom and Doane is described and lineshapes are determined on the basis of this model for special cases. The dependence of the order parameters on the molecular potential which give rise to the various degrees of order in the different liquid crystalline phases is examined. To a good approximation the functional dependence of the order parameters on the molecular potential is shown to be a simple one in the limit of small tilt angle in the smectic-C phase

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

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

  5. Quantum Mechanical Nature in Liquid NMR Quantum Computing

    LONGGui-Lu; YANHai-Yang; 等

    2002-01-01

    The quantum nature of bulk ensemble NMR quantum computing-the center of recent heated debate,is addressed.Concepts of the mixed state and entanglement are examined,and the data in a two-qubit liquid NMR quantum computation are analyzed.the main points in this paper are;i) Density matrix describes the "state" of an average particle in an ensemble.It does not describe the state of an individual particle in an ensemble;ii) Entanglement is a property of the wave function of a microscopic particle(such as a molecule in a liquid NMR sample),and separability of the density matrix canot be used to measure the entanglement of mixed ensemble;iii) The state evolution in bulkensemble NMR quantum computation is quantum-mechanical;iv) The coefficient before the effective pure state density matrix,ε,is a measure of the simultaneity of the molecules in an ensemble,It reflets the intensity of the NMR signal and has no significance in quantifying the entanglement in the bulk ensemble NMR system.The decomposition of the density matrix into product states is only an indication that the ensemble can be prepared by an ensemble with the particles unentangeld.We conclude that effective-pure-state NMR quantum computation is genuine,not just classical simulations.

  6. High-resolution NMR spectroscopy under the fume hood.

    Küster, Simon K; Danieli, Ernesto; Blümich, Bernhard; Casanova, Federico

    2011-08-01

    This work reports the possibility to acquire high-resolution (1)H NMR spectra with a fist-sized NMR magnet directly installed under the fume hood. The small NMR sensor based on permanent magnets was used to monitor the trimerization of propionaldehyde catalyzed by indium trichloride in real time by continuously circulating the reaction mixture through the magnet bore in a closed loop with the help of a peristaltic pump. Thanks to the chemical selectivity of NMR spectroscopy the progress of the reaction can be monitored on-line by determining the concentrations of both reactant and product from the area under their respective lines in the NMR spectra as a function of time. This in situ measurement demonstrates that NMR probes can be used in chemistry laboratories, e.g. for reaction optimization, or installed at specific points of interest along industrial process lines. Therefore, it will open the door for the implementation of feedback control based on spectroscopic NMR data. PMID:21698335

  7. Molecular dynamics simulations on PGLa using NMR orientational constraints

    NMR data obtained by solid state NMR from anisotropic samples are used as orientational constraints in molecular dynamics simulations for determining the structure and dynamics of the PGLa peptide within a membrane environment. For the simulation the recently developed molecular dynamics with orientational constraints technique (MDOC) is used. This method introduces orientation dependent pseudo-forces into the COSMOS-NMR force field. Acting during a molecular dynamics simulation these forces drive molecular rotations, re-orientations and folding in such a way that the motional time-averages of the tensorial NMR properties are consistent with the experimentally measured NMR parameters. This MDOC strategy does not depend on the initial choice of atomic coordinates, and is in principle suitable for any flexible and mobile kind of molecule; and it is of course possible to account for flexible parts of peptides or their side-chains. MDOC has been applied to the antimicrobial peptide PGLa and a related dimer model. With these simulations it was possible to reproduce most NMR parameters within the experimental error bounds. The alignment, conformation and order parameters of the membrane-bound molecule and its dimer were directly derived with MDOC from the NMR data. Furthermore, this new approach yielded for the first time the distribution of segmental orientations with respect to the membrane and the order parameter tensors of the dimer systems. It was demonstrated the deuterium splittings measured at the peptide to lipid ratio of 1/50 are consistent with a membrane spanning orientation of the peptide

  8. Molecular dynamics simulations on PGLa using NMR orientational constraints

    Sternberg, Ulrich, E-mail: ulrich.sternberg@partner.kit.edu; Witter, Raiker [Tallinn University of Technology, Technomedicum (Estonia)

    2015-11-15

    NMR data obtained by solid state NMR from anisotropic samples are used as orientational constraints in molecular dynamics simulations for determining the structure and dynamics of the PGLa peptide within a membrane environment. For the simulation the recently developed molecular dynamics with orientational constraints technique (MDOC) is used. This method introduces orientation dependent pseudo-forces into the COSMOS-NMR force field. Acting during a molecular dynamics simulation these forces drive molecular rotations, re-orientations and folding in such a way that the motional time-averages of the tensorial NMR properties are consistent with the experimentally measured NMR parameters. This MDOC strategy does not depend on the initial choice of atomic coordinates, and is in principle suitable for any flexible and mobile kind of molecule; and it is of course possible to account for flexible parts of peptides or their side-chains. MDOC has been applied to the antimicrobial peptide PGLa and a related dimer model. With these simulations it was possible to reproduce most NMR parameters within the experimental error bounds. The alignment, conformation and order parameters of the membrane-bound molecule and its dimer were directly derived with MDOC from the NMR data. Furthermore, this new approach yielded for the first time the distribution of segmental orientations with respect to the membrane and the order parameter tensors of the dimer systems. It was demonstrated the deuterium splittings measured at the peptide to lipid ratio of 1/50 are consistent with a membrane spanning orientation of the peptide.

  9. Can NMR solve some significant challenges in metabolomics?

    Nagana Gowda, G. A.; Raftery, Daniel

    2015-11-01

    The field of metabolomics continues to witness rapid growth driven by fundamental studies, methods development, and applications in a number of disciplines that include biomedical science, plant and nutrition sciences, drug development, energy and environmental sciences, toxicology, etc. NMR spectroscopy is one of the two most widely used analytical platforms in the metabolomics field, along with mass spectrometry (MS). NMR's excellent reproducibility and quantitative accuracy, its ability to identify structures of unknown metabolites, its capacity to generate metabolite profiles using intact bio-specimens with no need for separation, and its capabilities for tracing metabolic pathways using isotope labeled substrates offer unique strengths for metabolomics applications. However, NMR's limited sensitivity and resolution continue to pose a major challenge and have restricted both the number and the quantitative accuracy of metabolites analyzed by NMR. Further, the analysis of highly complex biological samples has increased the demand for new methods with improved detection, better unknown identification, and more accurate quantitation of larger numbers of metabolites. Recent efforts have contributed significant improvements in these areas, and have thereby enhanced the pool of routinely quantifiable metabolites. Additionally, efforts focused on combining NMR and MS promise opportunities to exploit the combined strength of the two analytical platforms for direct comparison of the metabolite data, unknown identification and reliable biomarker discovery that continue to challenge the metabolomics field. This article presents our perspectives on the emerging trends in NMR-based metabolomics and NMR's continuing role in the field with an emphasis on recent and ongoing research from our laboratory.

  10. Overview of Image Reconstruction

    Marr, R. B.

    1980-04-01

    Image reconstruction (or computerized tomography, etc.) is any process whereby a function, f, on Rn is estimated from empirical data pertaining to its integrals, ∫f(x) dx, for some collection of hyperplanes of dimension k < n. The paper begins with background information on how image reconstruction problems have arisen in practice, and describes some of the application areas of past or current interest; these include radioastronomy, optics, radiology and nuclear medicine, electron microscopy, acoustical imaging, geophysical tomography, nondestructive testing, and NMR zeugmatography. Then the various reconstruction algorithms are discussed in five classes: summation, or simple back-projection; convolution, or filtered back-projection; Fourier and other functional transforms; orthogonal function series expansion; and iterative methods. Certain more technical mathematical aspects of image reconstruction are considered from the standpoint of uniqueness, consistency, and stability of solution. The paper concludes by presenting certain open problems. 73 references. (RWR)

  11. Overview of image reconstruction

    Image reconstruction (or computerized tomography, etc.) is any process whereby a function, f, on R/sup n/ is estimated from empirical data pertaining to its integrals, ∫f(x) dx, for some collection of hyperplanes of dimension k < n. The paper begins with background information on how image reconstruction problems have arisen in practice, and describes some of the application areas of past or current interest; these include radioastronomy, optics, radiology and nuclear medicine, electron microscopy, acoustical imaging, geophysical tomography, nondestructive testing, and NMR zeugmatography. Then the various reconstruction algorithms are discussed in five classes: summation, or simple back-projection; convolution, or filtered back-projection; Fourier and other functional transforms; orthogonal function series expansion; and iterative methods. Certain more technical mathematical aspects of image reconstruction are considered from the standpoint of uniqueness, consistency, and stability of solution. The paper concludes by presenting certain open problems. 73 references

  12. Understanding NMR relaxometry of partially water-saturated rocks

    O. Mohnke

    2014-11-01

    Full Text Available Nuclear Magnetic Resonance (NMR relaxometry measurements are commonly used to characterize the storage and transport properties of water-saturated rocks. These assessments are based on the proportionality of NMR signal amplitude and relaxation time to porosity (water content and pore size, respectively. The relationship between pore size and NMR relaxation time depends on pore shape, which is usually assumed to be spherical or cylindrical. However, the NMR response at partial water saturation for natural sediments and rocks differs strongly from the response calculated for spherical or cylindrical pores, because these pore shapes cannot account for water menisci remaining in the corners of de-saturated angular pores. Therefore, we consider a bundle of pores with triangular cross-sections. We introduce analytical solutions of the NMR equations at partial saturation of these pores, which account for water menisci of de-saturated pores. After developing equations that describe the water distribution inside the pores, we calculate the NMR response at partial saturation for imbibition and drainage based on the deduced water distributions. For this pore model, NMR amplitude and NMR relaxation time at partial water saturation strongly depend on pore shape even so the NMR relaxation time at full saturation only depends on the surface to volume ratio of the pore. The pore-shape-dependence at partial saturation arises from the pore shape and capillary pressure dependent water distribution in pores with triangular cross-sections. Moreover, we show the qualitative agreement of the saturation dependent relaxation time distributions of our model with those observed for rocks and soils.

  13. A portable NMR sensor to measure dynamic changes in the amount of water in living stems or fruit and its potential to measure sap flow.

    Windt, Carel W; Blümler, Peter

    2015-04-01

    Nuclear magnetic resonance (NMR) and NMR imaging (magnetic resonance imaging) offer the possibility to quantitatively and non-invasively measure the presence and movement of water. Unfortunately, traditional NMR hardware is expensive, poorly suited for plants, and because of its bulk and complexity, not suitable for use in the field. But does it need to be? We here explore how novel, small-scale portable NMR devices can be used as a flow sensor to directly measure xylem sap flow in a poplar tree (Populus nigra L.), or in a dendrometer-like fashion to measure dynamic changes in the absolute water content of fruit or stems. For the latter purpose we monitored the diurnal pattern of growth, expansion and shrinkage in a model fruit (bean pod, Phaseolus vulgaris L.) and in the stem of an oak tree (Quercus robur L.). We compared changes in absolute stem water content, as measured by the NMR sensor, against stem diameter variations as measured by a set of conventional point dendrometers, to test how well the sensitivities of the two methods compare and to investigate how well diurnal changes in trunk absolute water content correlate with the concomitant diurnal variations in stem diameter. Our results confirm the existence of a strong correlation between the two parameters, but also suggest that dynamic changes in oak stem water content could be larger than is apparent on the basis of the stem diameter variation alone. PMID:25595754

  14. Developments of RF Coil for P in vivo NMR Spectroscopy .

    S. Khushu

    1993-07-01

    Full Text Available RF receiver coils are very important parts of an NMR System. The design of these coils is very critical and has a dramatic effect on the SNR of the NMR signal and are generally developed in TRA/REC mode. This paper reports the developments of a 3.5 cm TRA/REC 26 MHz RF coil for P spectroscopy of small organs like thyroid. The coil is small in size, fits well in the neck for thyroid spectroscopy and is successfully working with the 1.5 tesla whole body Superconducting NMR System available at INMAS.

  15. Developments of RF Coil for P in vivo NMR Spectroscopy .

    S. Khushu; S.B. Mehta; Sushil Chandra; A Jena

    1993-01-01

    RF receiver coils are very important parts of an NMR System. The design of these coils is very critical and has a dramatic effect on the SNR of the NMR signal and are generally developed in TRA/REC mode. This paper reports the developments of a 3.5 cm TRA/REC 26 MHz RF coil for P spectroscopy of small organs like thyroid. The coil is small in size, fits well in the neck for thyroid spectroscopy and is successfully working with the 1.5 tesla whole body Superconducting NMR System availab...

  16. Molecular dynamics computer simulations based on NMR data

    In the work described in this thesis atom-atom distance information obtained from two-dimensional cuclear magnetic resonance is combined with molecular dynamics simulaitons. The simulation is used to improve the accuracy of a structure model constructed on the basis of NMR data. During the MD refinement the crude NMR structure is simultaneously optimized with respect to the atomic interaction function and to the set of atom-atom distances or other NMR information. This means that insufficient experimental data is completed with theoretical knowledge and the combination will lead to more reliable structures than would be obtained from one technique alone. (author). 191 refs.; 17 figs.; 12 schemes; 22 tabs

  17. Room Temperature Chiral Discrimination in Paramagnetic NMR Spectroscopy

    Soncini, Alessandro; Calvello, Simone

    2016-04-01

    A recently proposed theory of chiral discrimination in NMR spectroscopy based on the detection of a molecular electric polarization P rotating in a plane perpendicular to the NMR magnetic field [A. D. Buckingham, J. Chem. Phys. 140, 011103 (2014)] is generalized here to paramagnetic systems. Our theory predicts new contributions to P , varying as the square of the inverse temperature. Ab initio calculations for ten Dy3 + complexes, at 293 K, show that, in strongly anisotropic paramagnetic molecules, P can be more than 1000 times larger than in diamagnetic molecules, making paramagnetic NMR chiral discrimination amenable to room temperature detection.

  18. A simple low-cost single-crystal NMR setup

    Vinding, Mads S.; Kessler, Tommy O.; Vosegaard, Thomas

    2016-08-01

    A low-cost single-crystal NMR kit is presented along with a web-based post-processing software. The kit consists of a piezo-crystal motor and a goniometer for the crystal, both embedded in a standard wide-bore NMR probe with a 3D printed scaffold. The NMR pulse program controls the angle setting automatically, and the post-processing software incorporates a range of orientation-angle discrepancies present in the kit and other single-crystal setups. Results with a NaNO3 single-crystal show a high degree of reproducibility and excellent agreement with previous findings for the anisotropic quadrupolar interaction.

  19. Room temperature chiral discrimination in paramagnetic NMR spectroscopy

    Soncini, Alessandro

    2016-01-01

    A recently proposed theory of chiral discrimination in NMR spectroscopy based on the detection of a molecular electric polarization $\\mathbf{P}$ rotating in a plane perpendicular to the NMR magnetic field [A. D. Buckingham, J. Chem. Phys. $\\mathbf{140}$, 011103 (2014)], is here generalized to paramagnetic systems. Our theory predicts new contributions to $\\mathbf{P}$, varying as the square of the inverse temperature. Ab initio calculations for ten Dy$^{3+}$ complexes, at 293K, show that in strongly anisotropic paramagnetic molecules $\\mathbf{P}$ can be more than 1000 times larger than in diamagnetic molecules, making paramagnetic NMR chiral discrimination amenable to room temperature detection.

  20. Structural biology applications of solid state MAS DNP NMR

    Akbey, Ümit; Oschkinat, Hartmut

    2016-08-01

    Dynamic Nuclear Polarization (DNP) has long been an aim for increasing sensitivity of nuclear magnetic resonance (NMR) spectroscopy, delivering spectra in shorter experiment times or of smaller sample amounts. In recent years, it has been applied in magic angle spinning (MAS) solid-state NMR to a large range of samples, including biological macromolecules and functional materials. New research directions in structural biology can be envisaged by DNP, facilitating investigations on very large complexes or very heterogeneous samples. Here we present a summary of state of the art DNP MAS NMR spectroscopy and its applications to structural biology, discussing the technical challenges and factors affecting DNP performance.