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Sample records for 19f nuclear magnetic

  1. 19F-nuclear magnetic resonance spectroscopy as a tool to ...

    African Journals Online (AJOL)

    Purpose: 19F-Nuclear magnetic resonance spectroscopy (19F-NMR) was used to study host-guest ... least-squares curve fitting program, KINFIT, to obtain the formation constant of CD-drug complex. ..... It is interesting to note that, methylated.

  2. Conformational selection and functional dynamics of calmodulin: a (19)F nuclear magnetic resonance study.

    Science.gov (United States)

    Hoang, Joshua; Prosser, R Scott

    2014-09-16

    Calcium-bound calmodulin (CaM-4Ca(2+)) is innately promiscuous with regard to its protein interaction network within the cell. A key facet of the interaction process involves conformational selection. In the absence of a binding peptide, CaM-4Ca(2+) adopts an equilibrium between a native state (N) and a weakly populated near-native peptide-bound-like state (I), whose lifetime is on the order of 1.5 ms at 37 °C, based on (19)F nuclear magnetic resonance (NMR) Carr-Purcell-Meiboom-Gill (CPMG) relaxation dispersion measurements. This peptide-bound-like state of CaM-4Ca(2+) is entropically stabilized (ΔS = 280 ± 35 J mol(-1) K(-1)) relative to the native state, water-depleted, and likely parental to specific bound states. Solvent depletion, conformational selection, and flexibility of the peptide-bound-like state may be important in priming the protein for binding. At higher temperatures, the exchange rate, kex, appears to markedly slow, suggesting the onset of misfolded or off-pathway states, which retards interconversion between N and I. (19)F NMR CPMG relaxation dispersion experiments with both CaM-4Ca(2+) and the separate N-terminal and C-terminal domains reveal the cooperative role of the two domains in the binding process and the flexibility of the N-terminal domain in facilitating binding. Thus, when calcium binds, calmodulin establishes its interaction with a multitude of protein binding partners, through a combination of conformational selection to a state that is parental to the peptide-bound state and, finally, induced fit.

  3. Charge transfer in Li/CFx-silver vanadium oxide hybrid cathode batteries revealed by solid state 7Li and 19F nuclear magnetic resonance spectroscopy

    Science.gov (United States)

    Sideris, Paul J.; Yew, Rowena; Nieves, Ian; Chen, Kaimin; Jain, Gaurav; Schmidt, Craig L.; Greenbaum, Steve G.

    2014-05-01

    Solid state 7Li and 19F magic angle spinning nuclear magnetic resonance (MAS NMR) experiments are conducted on several cathodes containing CFx-Silver vanadium oxide (CFx-Ag2V4O11) hybrid cathodes discharged to 50% depth of discharge (DoD) and stored at their open-circuit voltage for a period of one and three months. Three carbonaceous sources for the CFx phase are investigated: petroleum coke-based, fibrous, and mixed fibrous. For each hybrid cathode, a measurable increase in the relative amount of lithium fluoride is observed after a three month resting period in both the 7Li and 19F NMR spectra. These changes are attributed to lithium ion migration from the silver vanadium oxide to the CFx phase during the resting period, and help clarify the mechanism behind high power handling capability of this cathode.

  4. Site-specific solvent exposure analysis of a membrane protein using unnatural amino acids and {sup 19}F nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Pan; Li, Dong [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230026 (China); Chen, Hongwei [High Magnetic Field Laboratory, Chinese Academy of Science, Hefei, Anhui 230031 (China); Xiong, Ying [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230026 (China); Tian, Changlin, E-mail: cltian@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at Microscale and School of Life Sciences, University of Science and Technology of China, Hefei, Anhui 230026 (China); High Magnetic Field Laboratory, Chinese Academy of Science, Hefei, Anhui 230031 (China)

    2011-10-22

    Highlights: {yields} Solvent isotope shift analysis of {sup 19}F-tfmF in different H{sub 2}O/D{sub 2}O molar ratio. {yields} Correlation between solvent isotope shift of {sup 19}F-spins and solvent exposure analysis. {yields} Solvent exposure analysis of membrane proteins. -- Abstract: Membrane proteins play an essential role in cellular metabolism, transportation and signal transduction across cell membranes. The scarcity of membrane protein structures has thus far prevented a full understanding of their molecular mechanisms. Preliminary topology studies and residue solvent exposure analysis have the potential to provide valuable information on membrane proteins of unknown structure. Here, a {sup 19}F-containing unnatural amino acid (trimethylfluoro-phenylalanine, tfmF) was applied to accomplish site-specific {sup 19}F spin incorporation at different sites in diacylglycerol kinase (DAGK, an Escherichia coli membrane protein) for site-specific solvent exposure analysis. Due to isotope effect on {sup 19}F spins, a standard curve for {sup 19}F-tfmF chemical shifts was drawn for varying solvent H{sub 2}O/D{sub 2}O ratios. Further site-specific {sup 19}F solvent isotope shift analysis was conducted for DAGK to distinguish residues in water-soluble loops, interfacial areas or hydrophobic membrane regions. This site-specific solvent exposure analysis method could be applied for further topological analysis of other membrane proteins.

  5. Injectable hyaluronic acid hydrogel for 19F magnetic resonance imaging

    NARCIS (Netherlands)

    Yang, X.; Sun, Y.; Kootala, S.; Hilborn, J.; Heerschap, A.; Ossipov, D.

    2014-01-01

    We report on a 19F labeled injectable hyaluronic acid (HA) hydrogel that can be monitored by both 1H and 19F MR imaging. The HA based hydrogel formed via carbazone reaction can be obtained within a minute by simple mixing of HA-carbazate and HA-aldehyde derivatized polymers. 19F contrast agent was l

  6. Probe-Specific Procedure to Estimate Sensitivity and Detection Limits for 19F Magnetic Resonance Imaging

    Science.gov (United States)

    Taylor, Alexander J.; Granwehr, Josef; Lesbats, Clémentine; Krupa, James L.; Six, Joseph S.; Pavlovskaya, Galina E.; Thomas, Neil R.; Auer, Dorothee P.; Meersmann, Thomas; Faas, Henryk M.

    2016-01-01

    Due to low fluorine background signal in vivo, 19F is a good marker to study the fate of exogenous molecules by magnetic resonance imaging (MRI) using equilibrium nuclear spin polarization schemes. Since 19F MRI applications require high sensitivity, it can be important to assess experimental feasibility during the design stage already by estimating the minimum detectable fluorine concentration. Here we propose a simple method for the calibration of MRI hardware, providing sensitivity estimates for a given scanner and coil configuration. An experimental “calibration factor” to account for variations in coil configuration and hardware set-up is specified. Once it has been determined in a calibration experiment, the sensitivity of an experiment or, alternatively, the minimum number of required spins or the minimum marker concentration can be estimated without the need for a pilot experiment. The definition of this calibration factor is derived based on standard equations for the sensitivity in magnetic resonance, yet the method is not restricted by the limited validity of these equations, since additional instrument-dependent factors are implicitly included during calibration. The method is demonstrated using MR spectroscopy and imaging experiments with different 19F samples, both paramagnetically and susceptibility broadened, to approximate a range of realistic environments. PMID:27727294

  7. MNDO/GIAO perturbation calculation of 13C and 19F magnetic shielding constants

    Institute of Scientific and Technical Information of China (English)

    游效曾; 吴伟雄; 方维海

    1995-01-01

    The basic approximation of the MNDO method is applied to the SCF-MO theory of nu-clear magnetic shielding constants.Gauge-invariant atomic orbitais(GIAO)and derived equations are used to cal-culate NMR chemical shifts.A more simple and effective calculation of integration for operators 1/rM,LM andLM/rM described in our previous paper is used.By proper selection of MNDO parameters together with thetwo-center approximation,a satisfactory agreement between computational and experimental 13C and 19F chemi-cal shifts is obtained for a representative set of fluorides.

  8. 19F-{ 1H} Nuclear Overhauser Effect and Proton Decoupling of 5-Fluorouracil and α-Fluoro-β-Alanine

    Science.gov (United States)

    Krems, B.; Bachert, P.; Zabel, H. J.; Lorenz, W. J.

    19F-{ 1H} magnetic double-resonance experiments were performed on model solutions of the antitumor drug 5-fluorouracil (5-FU) and of α-fluoro-β-alanine (FBAL) in order to improve 19F NMR sensitivity for the application in pharmacokinetic studies in vivo. Upon driving the proton spins into saturation, a fluorine signal enhancement (nuclear Overhauser effect) was observed on the order of the theoretical NOE maximum γ H/2γ F, = 53% for purely dipolar coupled 19F- 1H spin systems in extreme narrowing. The dependence of the effect on proton excitation frequency and temporal parameters was measured and cross-relaxation rate constants of 0.07 s -1 (5-FU) and 0.19 s -1 (FBAL) were determined. Irradiation of the proton spin system by a broad pulse during the 19F signal detection period removed FBAL multiplet splittings completely and narrowed the linewidth of this resonance band by a factor of six, Application of proton presaturation in the 19F NMR examination of a patient undergoing 5-FU chemotherapy enhanced the signal-to-noise ratio of the major 5-FU catabolite FBAL detected noninvasively in the liver.

  9. Probing the Pu4 + magnetic moment in PuF4 with 19F NMR spectroscopy

    Science.gov (United States)

    Capan, Cigdem; Dempsey, Richard J.; Sinkov, Sergey; McNamara, Bruce K.; Cho, Herman

    2016-06-01

    The magnetic fields produced by Pu4 + centers have been measured by 19F NMR spectroscopy to elucidate the Pu-F electronic interactions in polycrystalline PuF4. Spectra acquired at applied fields of 2.35 and 7.05 T reveal a linear scaling of the 19F line shape. A model is presented that treats the line broadening and shifts as due to dipolar fields produced by Pu valence electrons in localized noninteracting orbitals. Alternative explanations for the observed line shape involving covalent Pu-F bonding, superexchange interactions, and electronic configurations with enhanced magnetic moments are considered.

  10. In vivo tracking of human neural stem cells with 19F magnetic resonance imaging.

    Directory of Open Access Journals (Sweden)

    Philipp Boehm-Sturm

    Full Text Available BACKGROUND: Magnetic resonance imaging (MRI is a promising tool for monitoring stem cell-based therapy. Conventionally, cells loaded with ironoxide nanoparticles appear hypointense on MR images. However, the contrast generated by ironoxide labeled cells is neither specific due to ambiguous background nor quantitative. A strategy to overcome these drawbacks is (19F MRI of cells labeled with perfluorocarbons. We show here for the first time that human neural stem cells (NSCs, a promising candidate for clinical translation of stem cell-based therapy of the brain, can be labeled with (19F as well as detected and quantified in vitro and after brain implantation. METHODOLOGY/PRINCIPAL FINDINGS: Human NSCs were labeled with perfluoropolyether (PFPE. Labeling efficacy was assessed with (19F MR spectroscopy, influence of the label on cell phenotypes studied by immunocytochemistry. For in vitro MRI, NSCs were suspended in gelatin at varying densities. For in vivo experiments, labeled NSCs were implanted into the striatum of mice. A decrease of cell viability was observed directly after incubation with PFPE, which re-normalized after 7 days in culture of the replated cells. No label-related changes in the numbers of Ki67, nestin, GFAP, or βIII-tubulin+ cells were detected, both in vitro and on histological sections. We found that 1,000 NSCs were needed to accumulate in one image voxel to generate significant signal-to-noise ratio in vitro. A detection limit of ∼10,000 cells was found in vivo. The location and density of human cells (hunu+ on histological sections correlated well with observations in the (19F MR images. CONCLUSION/SIGNIFICANCE: Our results show that NSCs can be efficiently labeled with (19F with little effects on viability or proliferation and differentiation capacity. We show for the first time that (19F MRI can be utilized for tracking human NSCs in brain implantation studies, which ultimately aim for restoring loss of function after

  11. Magnetic properties and hyperfine interactions in Cr8, Cr7Cd, and Cr7Ni molecular rings from 19F-NMR

    Science.gov (United States)

    Bordonali, L.; Garlatti, E.; Casadei, C. M.; Furukawa, Y.; Lascialfari, A.; Carretta, S.; Troiani, F.; Timco, G.; Winpenny, R. E. P.; Borsa, F.

    2014-04-01

    A detailed experimental investigation of the 19F nuclear magnetic resonance is made on single crystals of the homometallic Cr8 antiferromagnetic molecular ring and heterometallic Cr7Cd and Cr7Ni rings in the low temperature ground state. Since the F- ion is located midway between neighboring magnetic metal ions in the ring, the 19F-NMR spectra yield information about the local electronic spin density and 19F hyperfine interactions. In Cr8, where the ground state is a singlet with total spin ST = 0, the 19F-NMR spectra at 1.7 K and low external magnetic field display a single narrow line, while when the magnetic field is increased towards the first level crossing field, satellite lines appear in the 19F-NMR spectrum, indicating a progressive increase in the Boltzmann population of the first excited state ST = 1. In the heterometallic rings, Cr7Cd and Cr7Ni, whose ground state is magnetic with ST = 3/2 and ST = 1/2, respectively, the 19F-NMR spectrum has a complicated structure which depends on the strength and orientation of the magnetic field, due to both isotropic and anisotropic transferred hyperfine interactions and classical dipolar interactions. From the 19F-NMR spectra in single crystals we estimated the transferred hyperfine constants for both the F--Ni2+ and the F--Cd2+ bonds. The values of the hyperfine constants compare well to the ones known for F--Ni2+ in KNiF3 and NiF2 and for F--Cr3+ in K2NaCrF6. The results are discussed in terms of hybridization of the 2s, 2p orbitals of the F- ion and the d orbitals of the magnetic ion. Finally, we discuss the implications of our results for the electron-spin decoherence.

  12. Simultaneous determinations of a monofluorinated imidazo(1, 5-a)(1, 4)benzodiazepine and the corresponding benzophenone as a function of pH and in aqueous formulations by /sup 19/F nuclear magnetic resonance spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharyya, P.K.; Grant, A. (Hoffmann-La Roche, Inc., Nutley, NJ (USA). Quality Control Dept.)

    1982-10-01

    8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo(1, 5-a)(1, 4)benzodiazepine (called ''midazolam'') exists in equilibrium with the corresponding benzophenone (the ''open-Mng form''). The two compounds were determined simultaneously as a function of pH with /sup 19/F-n.m.r. spectrometry. In a unique application of /sup 19/F-n.m.r. spectrometry, the compounds are determined simultaneously in aqueous dosage forms without the need for the lowest concentration of sample used (approximately 1 mg ml/sup -1/) was 200:1 for 3000 scans. This was obtained by partial proton decoupling and exponential multiplication of the free induction decay with a line-broadening parameter of 12 Hz. Quantitative results are presented with a standard deviation of < 2.0% in the mean ratio of the two compounds. The results are also compared with those obtained by the spectrophotometric fluorescamine method. Advantages of the /sup 19/F-n.m.r. technique in this determination are discussed.

  13. Hexaphyrin as a Potential Theranostic Dye for Photothermal Therapy and 19F Magnetic Resonance Imaging.

    Science.gov (United States)

    Higashino, Tomohiro; Nakatsuji, Hirotaka; Fukuda, Ryosuke; Okamoto, Haruki; Imai, Hirohiko; Matsuda, Tetsuya; Tochio, Hidehito; Shirakawa, Masahiro; Tkachenko, Nikolai; Hashida, Mitsuru; Murakami, Tatsuya; Imahori, Hiroshi

    2017-02-15

    meso-Aryl substituted expanded porphyrins have two potential key features suitable for theranostic agents, excellent absorption in near infrared (NIR) region and possible introduction of multiple fluorine atoms at structurally nearly equivalent positions. Herein, hexaphyrin (hexa) was synthesized using 2,6-bis(trifluoromethyl)-4-formyl benzoate and pyrrole and evaluated as a novel theranostic expanded porphyrin possessing the above key features. Under NIR light illumination hexa showed intense photothermal and weak photodynamic effects, which were most likely due to its low-lying excited states close to a singlet oxygen. This sustained photothermal effect caused the ablation of cancer cells more effectively than the photodynamic effect of indocyanine green, a clinically used dye. In addition, hexa@cpHDL revealed potential for use in visualization of tumors by 19F magnetic resonance imaging (MRI) due to the presence of the multiple fluorine atoms. These results shed light on a latent utility of expanded porphyrins as theranostic agents in both photothermal therapy and 19F MRI.

  14. Visualizing arthritic inflammation and therapeutic response by fluorine-19 magnetic resonance imaging (19F MRI

    Directory of Open Access Journals (Sweden)

    Balducci Anthony

    2012-06-01

    Full Text Available Abstract Background Non-invasive imaging of inflammation to measure the progression of autoimmune diseases, such as rheumatoid arthritis (RA, and to monitor responses to therapy is critically needed. V-Sense, a perfluorocarbon (PFC contrast agent that preferentially labels inflammatory cells, which are then recruited out of systemic circulation to sites of inflammation, enables detection by 19F MRI. With no 19F background in the host, detection is highly-specific and can act as a proxy biomarker of the degree of inflammation present. Methods Collagen-induced arthritis in rats, a model with many similarities to human RA, was used to study the ability of the PFC contrast agent to reveal the accumulation of inflammation over time using 19F MRI. Disease progression in the rat hind limbs was monitored by caliper measurements and 19F MRI on days 15, 22 and 29, including the height of clinically symptomatic disease. Naïve rats served as controls. The capacity of the PFC contrast agent and 19F MRI to assess the effectiveness of therapy was studied in a cohort of rats administered oral prednisolone on days 14 to 28. Results Quantification of 19F signal measured by MRI in affected limbs was linearly correlated with disease severity. In animals with progressive disease, increases in 19F signal reflected the ongoing recruitment of inflammatory cells to the site, while no increase in 19F signal was observed in animals receiving treatment which resulted in clinical resolution of disease. Conclusion These results indicate that 19F MRI may be used to quantitatively and qualitatively evaluate longitudinal responses to a therapeutic regimen, while additionally revealing the recruitment of monocytic cells involved in the inflammatory process to the anatomical site. This study may support the use of 19F MRI to clinically quantify and monitor the severity of inflammation, and to assess the effectiveness of treatments in RA and other diseases with an inflammatory

  15. Cell tracking using {sup 19}F magnetic resonance imaging: Technical aspects and challenges towards clinical applications

    Energy Technology Data Exchange (ETDEWEB)

    Amiri, Houshang [Radboud University Medical Center, Department of Radiology, Nijmegen (Netherlands); Radboud University Medical Center, Department of Tumor Immunology, Radboud Institute for Molecular Life Sciences, Nijmegen (Netherlands); Srinivas, Mangala; Vries, I.J.M. de [Radboud University Medical Center, Department of Tumor Immunology, Radboud Institute for Molecular Life Sciences, Nijmegen (Netherlands); Veltien, Andor; Uden, Mark J. van; Heerschap, Arend [Radboud University Medical Center, Department of Radiology, Nijmegen (Netherlands)

    2014-11-06

    {sup 19}F MRI is emerging as a new imaging technique for cell tracking. It is particularly attractive because of its potential for direct and precise cell quantification. The most important challenge towards in vivo applications is the sensitivity of the technique, i.e. the detection limit in a reasonable imaging time. Optimal sensitivity can be achieved with dedicated {sup 19}F compounds together with specifically adapted hardware and acquisition methods. In this paper we introduce the {sup 19}F MRI technique focusing on these key sensitivity issues and review the state-of-the-art of {sup 19}F MRI and developments towards its clinical use. We calculate {sup 19}F detection limits reported in preclinical cell and clinical {sup 19}F drug studies in terms of tissue concentration in a 1 cm{sup 3} voxel, as an alternate way to compare detection limits. We estimate that a tissue concentration of a few millimoles per litre (mM) of {sup 19}F is required for a human study at a resolution of 1 cm{sup 3}. (orig.)

  16. Imaging of intratumoral inflammation during oncolytic virotherapy of tumors by 19F-magnetic resonance imaging (MRI.

    Directory of Open Access Journals (Sweden)

    Stephanie Weibel

    Full Text Available BACKGROUND: Oncolytic virotherapy of tumors is an up-coming, promising therapeutic modality of cancer therapy. Unfortunately, non-invasive techniques to evaluate the inflammatory host response to treatment are rare. Here, we evaluate (19F magnetic resonance imaging (MRI which enables the non-invasive visualization of inflammatory processes in pathological conditions by the use of perfluorocarbon nanoemulsions (PFC for monitoring of oncolytic virotherapy. METHODOLOGY/PRINCIPAL FINDINGS: The Vaccinia virus strain GLV-1h68 was used as an oncolytic agent for the treatment of different tumor models. Systemic application of PFC emulsions followed by (1H/(19F MRI of mock-infected and GLV-1h68-infected tumor-bearing mice revealed a significant accumulation of the (19F signal in the tumor rim of virus-treated mice. Histological examination of tumors confirmed a similar spatial distribution of the (19F signal hot spots and CD68(+-macrophages. Thereby, the CD68(+-macrophages encapsulate the GFP-positive viral infection foci. In multiple tumor models, we specifically visualized early inflammatory cell recruitment in Vaccinia virus colonized tumors. Furthermore, we documented that the (19F signal correlated with the extent of viral spreading within tumors. CONCLUSIONS/SIGNIFICANCE: These results suggest (19F MRI as a non-invasive methodology to document the tumor-associated host immune response as well as the extent of intratumoral viral replication. Thus, (19F MRI represents a new platform to non-invasively investigate the role of the host immune response for therapeutic outcome of oncolytic virotherapy and individual patient response.

  17. Magnetism, optical absorbance, and 19F NMR spectra of nafion films with self-assembling paramagnetic networks

    Energy Technology Data Exchange (ETDEWEB)

    Levin, E. M.; Chen, Q.; Bud' ko, S. L.

    2012-01-15

    Magnetization, optical absorbance, and {sup 19}F NMR spectra of Nafion transparent films as received and doped with Mn{sup 2+}, Co{sup 2+}, Fe{sup 2+}, and Fe{sup 3+} ions with and without treatment in 1H-1,2,4-triazole (trz) have been studied. Doping of Nafion with Fe{sup 2+} and Co{sup 2+} and their bridging to nitrogen of triazole yields a hybrid self-assembling paramagnetic system that exhibits interesting magnetic and optical properties. These include spin crossover phenomena between high-spin (HS) and low-spin (LS) states in Nafion-Fe{sup 2+}-trz and Nafion-Co{sup 2+}-trz accompanied by thermochromic effects in the visible range induced by temperature. A large shift of the magnetization curve induced by a magnetic field in the vicinity of the HS {leftrightarrow} LS, {approx}220 K, observed for Nafion-Fe{sup 2+}-trz has a rate of {approx}6 K/kOe, which is about three orders of magnitude larger than that in bulk spin crossover Fe{sup 2+} materials. Selective response of {sup 19}F NMR signals on doping with paramagnetic ions demonstrates that NMR can be used as spatially resolved method to study Nafion film with paramagnetic network. Both chemical shift and width of {sup 19}F NMR signals show that SO groups of Nafion, Fe or Co ions, and nitrogen of triazole are bonded whereas they form a spin crossover system. Based on a model of nanosize cylinders proposed for Nafion [K. Schmidt-Rohr and Q. Chen, Nat Mater (2008), 75], we suggest that paramagnetic ions are located inside these cylinders, forming self-assembling magnetically and optically active nanoscale networks.

  18. Optimization of localized 19F magnetic resonance spectroscopy for the detection of fluorinated drugs in the human liver.

    NARCIS (Netherlands)

    Klomp, D.W.J.; Laarhoven, H.W.M. van; Kentgens, A.P.M.; Heerschap, A.

    2003-01-01

    Fluorine MR spectroscopy ((19)F MRS) is an indispensable tool for assessing the pharmacokinetics of fluorinated drugs. Since the metabolism of 5-fluorouracil (5FU), a frequently used cytotoxic drug, is expected to be different in normal liver and in tumor tissue, spatial localization is required for

  19. Annual Report FY2013-- A Kinematically Complete, Interdisciplinary, and Co-Institutional Measurement of the 19F(α,n) Cross-section for Nuclear Safeguards Science

    Energy Technology Data Exchange (ETDEWEB)

    Peters, William A [ORNL; Smith, Michael Scott [ORNL; Clement, Ryan [INL; Tan, Wanpeng [University of Notre Dame; Stech, Ed [University of Notre Dame; Cizewski, J A [Rutgers University; Febbraro, Michael [University of Michigan; Madurga Flores, Miguel [ORNL

    2013-10-01

    The goal of this proposal is to enable neutron detection for precision Non-Destructive Assays (NDAs) of actinide-fluoride samples. Neutrons are continuously generated from a UFx matrix in a container or sample as a result of the interaction of alpha particles from uranium-decay α particles with fluorine nuclei in the matrix. Neutrons from 19F(α,n)22Na were once considered a poorly characterized background for assays of UFx samples via 238U spontaneous fission neutron detection [SMI2010B]. However, the yield of decay-α-driven neutrons is critical for 234,235U LEU and HEU assays, as it can used to determine both the total amount of uranium and the enrichment [BER2010]. This approach can be extremely valuable in a variety of safeguard applications, such as cylinder monitoring in underground uranium storage facilities, nuclear criticality safety studies, nuclear materials accounting, and other nonproliferation applications. The success of neutron-based assays critically depends on an accurate knowledge of the cross section of the (α,n) reaction that generates the neutrons. The 40% uncertainty in the 19F(α,n)22Na cross section currently limits the precision of such assays, and has been identified as a key factor in preventing accurate enrichment determinations [CRO2003]. The need for higher quality cross section data for (α,n) reactions has been a recurring conclusion in reviews of the nuclear data needs to support safeguards. The overarching goal of this project is to enable neutron detection to be used for precision Non- Destructive Assays (NDAs) of actinide-fluoride samples. This will significantly advance safeguards verification at existing declared facilities, nuclear materials accounting, process control, nuclear criticality safety monitoring, and a variety of other nonproliferation applications. To reach this goal, Idaho National Laboratory (INL), in partnership with Oak Ridge National Laboratory (ORNL), Rutgers University (RU), and the University of Notre

  20. 19F magnetic resonance imaging of perfluorocarbons for the evaluation of response to antibiotic therapy in a Staphylococcus aureus infection model.

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    Tobias Hertlein

    Full Text Available BACKGROUND: The emergence of antibiotic resistant bacteria in recent decades has highlighted the importance of developing new drugs to treat infections. However, in addition to the design of new drugs, the development of accurate preclinical testing methods is essential. In vivo imaging technologies such as bioluminescence imaging (BLI or magnetic resonance imaging (MRI are promising approaches. In a previous study, we showed the effectiveness of (19F MRI using perfluorocarbon (PFC emulsions for detecting the site of Staphylococcus aureus infection. In the present follow-up study, we investigated the use of this method for in vivo visualization of the effects of antibiotic therapy. METHODS/PRINCIPAL FINDINGS: Mice were infected with S. aureus Xen29 and treated with 0.9% NaCl solution, vancomycin or linezolid. Mock treatment led to the highest bioluminescence values during infection followed by vancomycin treatment. Counting the number of colony-forming units (cfu at 7 days post-infection (p.i. showed the highest bacterial burden for the mock group and the lowest for the linezolid group. Administration of PFCs at day 2 p.i. led to the accumulation of (19F at the rim of the abscess in all mice (in the shape of a hollow sphere, and antibiotic treatment decreased the (19F signal intensity and volume. Linezolid showed the strongest effect. The BLI, cfu, and MRI results were comparable. CONCLUSIONS: (19F-MRI with PFCs is an effective non-invasive method for assessing the effects of antibiotic therapy in vivo. This method does not depend on pathogen specific markers and can therefore be used to estimate the efficacy of antibacterial therapy against a broad range of clinically relevant pathogens, and to localize sites of infection.

  1. 19F single-quantum and 19F-33S heteronuclear multiple-quantum coherence NMR of SF6 in thermotropic nematogens and in the gas phase.

    Science.gov (United States)

    Tervonen, Henri; Saunavaara, Jani; Ingman, L Petri; Jokisaari, Jukka

    2006-08-24

    (19)F single-quantum (SQC) and (19)F-(33)S heteronuclear multiple-quantum coherence (HMQC) NMR spectroscopy of sulfur hexafluoride (SF(6)) dissolved in thermotropic liquid crystals (TLCs) were used to investigate the properties of TLCs. On one hand, environmental effects on the NMR parameters of SF(6), (19)F nuclear shielding, (19)F-(33)S spin-spin coupling, secondary isotope effects of sulfur on (19)F shielding, and the self-diffusion coefficient in the direction of the external magnetic field were studied as well. The temperature dependence of the (19)F shielding of SF(6) in TLCs was modeled with a function that takes into account the properties of both TLC and SF(6). It appears that the TLC environment deforms the electronic system of SF(6) so that the (19)F shielding tensor becomes slightly anisotropic, with the anisotropy being from -0.5 to -1.4 ppm, depending upon the TLC solvent. On the contrary, no sign of residual dipolar coupling between (19)F and (33)S was found, meaning that the so-called deformational effects, which arise from the interaction between vibrational and reorientational motions of the molecule, on the geometry of the molecule are insignificant. Diffusion activation energies, E(a), were determined from the temperature dependence of the self-diffusion coefficients. In each TLC, E(a) increases when moving from an isotropic phase to a nematic phase. The spin-spin coupling constant, J((19)F,(33)S), increases by ca. 10 Hz when moving from the gas phase to TLC solutions. The secondary isotope shifts of (19)F shielding are practically independent of TLC solvent and temperature. For the first time, (19)F-(33)S heteronuclear multiple-quantum NMR spectra were recorded for SF(6) in the gas phase and in a liquid-crystalline solution.

  2. Absolute NMR shielding scales and nuclear spin-rotation constants in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br and (127)I).

    Science.gov (United States)

    Demissie, Taye B; Jaszuński, Michał; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth

    2015-10-28

    We present nuclear spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br, (127)I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin-rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin-rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin-rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin-rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.

  3. Absolute NMR shielding scales and nuclear spin–rotation constants in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br and {sup 127}I)

    Energy Technology Data Exchange (ETDEWEB)

    Demissie, Taye B., E-mail: taye.b.demissie@uit.no; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø (Norway); Jaszuński, Michał [Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01 224 Warszawa (Poland)

    2015-10-28

    We present nuclear spin–rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin–rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin–rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin–rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin–rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.

  4. Absolute NMR shielding scales and nuclear spin-rotation constants in 175LuX and 197AuX (X = 19F, 35Cl, 79Br and 127I)

    Science.gov (United States)

    Demissie, Taye B.; Jaszuński, Michał; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth

    2015-10-01

    We present nuclear spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in 175LuX and 197AuX (X = 19F, 35Cl, 79Br, 127I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin-rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin-rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin-rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin-rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.

  5. 19F-magnetic resonance spectroscopy in patients with liver metastases of colorectal cancer treated with 5-fluorouracil.

    NARCIS (Netherlands)

    Kamm, Y.J.L.; Heerschap, A.; Bergh, E.J. van den; Wagener, D.J.T.

    2004-01-01

    The purpose of this study was to examine the uptake and metabolism of 5-fluorouracil (5-FU) in human liver metastases. Patients with liver metastases of colorectal cancer were treated with 5-FU (500/600 mg/m)+folinic acid with or without trimetrexate. The clinical application of F-magnetic resonance

  6. Visualization of abscess formation in a murine thigh infection model of Staphylococcus aureus by 19F-magnetic resonance imaging (MRI.

    Directory of Open Access Journals (Sweden)

    Tobias Hertlein

    Full Text Available BACKGROUND: During the last years, (19F-MRI and perfluorocarbon nanoemulsion (PFC emerged as a powerful contrast agent based MRI methodology to track cells and to visualize inflammation. We applied this new modality to visualize deep tissue abscesses during acute and chronic phase of inflammation caused by Staphylococcus aureus infection. METHODOLOGY AND PRINCIPAL FINDINGS: In this study, a murine thigh infection model was used to induce abscess formation and PFC or CLIO (cross linked ironoxides was administered during acute or chronic phase of inflammation. 24 h after inoculation, the contrast agent accumulation was imaged at the site of infection by MRI. Measurements revealed a strong accumulation of PFC at the abscess rim at acute and chronic phase of infection. The pattern was similar to CLIO accumulation at chronic phase and formed a hollow sphere around the edema area. Histology revealed strong influx of neutrophils at the site of infection and to a smaller extend macrophages during acute phase and strong influx of macrophages at chronic phase of inflammation. CONCLUSION AND SIGNIFICANCE: We introduce (19F-MRI in combination with PFC nanoemulsions as a new platform to visualize abscess formation in a murine thigh infection model of S. aureus. The possibility to track immune cells in vivo by this modality offers new opportunities to investigate host immune response, the efficacy of antibacterial therapies and the influence of virulence factors for pathogenesis.

  7. Nanoscale nuclear magnetic resonance with chemical resolution

    Science.gov (United States)

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

    2017-07-01

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

  8. Cell Labeling for 19F MRI: New and Improved Approach to Perfluorocarbon Nanoemulsion Design

    Directory of Open Access Journals (Sweden)

    Jonathan Williams

    2013-09-01

    Full Text Available This report describes novel perfluorocarbon (PFC nanoemulsions designed to improve ex vivo cell labeling for 19F magnetic resonance imaging (MRI. 19F MRI is a powerful non-invasive technique for monitoring cells of the immune system in vivo, where cells are labeled ex vivo with PFC nanoemulsions in cell culture. The quality of 19F MRI is directly affected by the quality of ex vivo PFC cell labeling. When co-cultured with cells for longer periods of time, nanoemulsions tend to settle due to high specific weight of PFC oils (1.5–2.0 g/mL. This in turn can decrease efficacy of excess nanoemulsion removal and reliability of the cell labeling in vitro. To solve this problem, novel PFC nanoemulsions are reported which demonstrate lack of sedimentation and high stability under cell labeling conditions. They are monodisperse, have small droplet size (~130 nm and low polydispersity (<0.15, show a single peak in the 19F nuclear magnetic resonance spectrum at −71.4 ppm and possess high fluorine content. The droplet size and polydispersity remained unchanged after 160 days of follow up at three temperatures (4, 25 and 37 °C. Further, stressors such as elevated temperature in the presence of cells, and centrifugation, did not affect the nanoemulsion droplet size and polydispersity. Detailed synthetic methodology and in vitro testing for these new PFC nanoemulsions is presented.

  9. Application of 19F MRI for in vivo detection of biological processes

    OpenAIRE

    Basse-Lüsebrink, Thomas Christian

    2013-01-01

    This thesis focuses on various aspects and techniques of 19F magnetic resonance (MR). The first chapters provide an overview of the basic physical properties, 19F MR and MR sequences related to this work. Chapter 5 focuses on the application of 19F MR to visualize biological processes in vivo using two different animal models. The dissimilar models underlined the wide applicability of 19F MR in preclinical research. A subsection of Chapter 6 shows the application of compressed sensing (CS) to...

  10. (19)F NMR spectroscopic characterization of the interaction of niflumic acid with human serum albumin.

    Science.gov (United States)

    Kitamura, Keisuke; Omran, Ahmed A; Takegami, Shigehiko; Tanaka, Rumi; Kitade, Tatsuya

    2007-04-01

    The interaction of a non-steroidal anti-inflammatory drug, niflumic acid (NFA), with human serum albumin (HSA) has been investigated by (19)F nuclear magnetic resonance (NMR) spectroscopy. A (19)F NMR spectrum of NFA in a buffered (pH 7.4) solution of NaCl (0.1 mol L(-1)) contained a single sharp signal of its CF(3) group 14.33 ppm from the internal reference 2,2,2-trifluoroethanol. Addition of 0.6 mmol L(-1) HSA to the NFA buffer solution caused splitting of the CF(3) signal into two broadened signals, shifted to the lower fields of 14.56 and 15.06 ppm, with an approximate intensity ratio of 1:3. Denaturation of HSA by addition of 3.0 mol L(-1) guanidine hydrochloride (GU) restored a single sharp signal of CF(3) at 14.38 ppm, indicating complete liberation of NFA from HSA as a result of its denaturation. These results suggest that the binding is reversible and occurs in at least two HSA regions. Competitive (19)F NMR experiments using warfarin, dansyl-L: -asparagine, and benzocaine (site I ligands), and L: -tryptophan and ibuprofen (site II ligands) revealed that NFA binds to site I at two different regions, Ia and Ib, in the ratio 1:3. By use of (19)F NMR with NFA as an (19)F NMR probe the nonfluorinated site I-binding drugs sulfobromophthalein and iophenoxic acid were also found to bind sites Ia and Ib, respectively. These results illustrate the usefulness and convenience of (19)F NMR for investigation of the HSA binding of both fluorinated and nonfluorinated drugs.

  11. Nuclear Magnetic Resonance Gyroscope

    Science.gov (United States)

    Larsen, Michael; Griffith, Robert; Bulatowicz, Michael

    2014-03-01

    The navigation grade micro Nuclear Magnetic Resonance Gyroscope (micro-NMRG) being developed by the Northrop Grumman Corporation (NGC) has concluded the fourth and final phase of the DARPA Navigation Grade Integrated Micro Gyro (NGIMG) program. Traditional MEMS gyros utilize springs as an inherent part of the sensing mechanism, leading to bias and scale factor sensitivity to acceleration and vibration. As a result, they have not met performance expectations in real world environments and to date have been limited to tactical grade applications. The Nuclear Magnetic Resonance Gyroscope (NMRG) utilizes the fixed precession rate of a nuclear spin in a constant magnetic field as an inertial reference for determining rotation. The nuclear spin precession rate sensitivity to acceleration and vibration is negligible for most applications. Therefore, the application of new micro and batch fabrication methods to NMRG technology holds great promise for navigation grade performance in a low cost and compact gyro. This presentation will describe the operational principles, design basics, and demonstrated performance of the NMRG including an overview of the NGC designs developed and demonstrated in the DARPA gyro development program.

  12. (19)F MRI for quantitative in vivo cell tracking.

    NARCIS (Netherlands)

    Srinivas, M.; Heerschap, A.; Ahrens, E.T.; Figdor, C.G.; Vries, I.J.M. de

    2010-01-01

    Cellular therapy, including stem cell transplants and dendritic cell vaccines, is typically monitored for dosage optimization, accurate delivery, and localization using noninvasive imaging, of which magnetic resonance imaging (MRI) is a key modality. (19)F MRI retains the advantages of MRI as an ima

  13. Direct Comparison of 19F qNMR and 1H qNMR by Characterizing Atorvastatin Calcium Content

    Directory of Open Access Journals (Sweden)

    Yang Liu

    2016-01-01

    Full Text Available Quantitative nuclear magnetic resonance (qNMR is a powerful tool in measuring drug content because of its high speed, sensitivity, and precision. Most of the reports were based on proton qNMR (1H qNMR and only a few fluorine qNMR (19F qNMR were reported. No research has been conducted to directly compare the advantage and disadvantage between these two methods. In the present study, both 19F and 1H qNMR were performed to characterize the content of atorvastatin calcium with the same internal standard. Linearity, precision, and results from two methods were compared. Results showed that 19F qNMR has similar precision and sensitivity to 1H qNMR. Both methods generate similar results compared to mass balance method. Major advantage from 19F qNMR is that the analyte signal is with less or no interference from impurities. 19F qNMR is an excellent approach to quantify fluorine-containing analytes.

  14. Shell effects in nuclear magnetization

    Energy Technology Data Exchange (ETDEWEB)

    Kondratyev, V.N.; Maruyama, Toshiki; Chiba, Satoshi [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki (Japan)

    2000-08-01

    The magnetization of nuclei in strong magnetic fields associated with magnetars' is considered within the shell model. It is demonstrated that the magnetic field gives rise to a phase-shift of the shell-oscillations in nuclear masses shifting significantly the nuclear magic numbers of the iron region towards smaller mass numbers. Shell-effects are found to result in anomalies of the nuclear magnetization. Such anomalies resemble the behavior associated with a phase transition. (author)

  15. CHARACTERIZATION OF TANK 19F SAMPLES

    Energy Technology Data Exchange (ETDEWEB)

    Oji, L.; Diprete, D.; Click, D.

    2009-12-17

    The Savannah River National Laboratory (SRNL) was asked by Liquid Waste Operations to characterize Tank 19F closure samples. Tank 19F slurry samples analyzed included the liquid and solid fractions derived from the slurry materials along with the floor scrape bottom Tank 19F wet solids. These samples were taken from Tank 19F in April 2009 and made available to SRNL in the same month. Because of limited amounts of solids observed in Tank 19F samples, the samples from the north quadrants of the tank were combined into one Tank 19F North Hemisphere sample and similarly the south quadrant samples were combined into one Tank 19F South Hemisphere sample. These samples were delivered to the SRNL shielded cell. The Tank 19F samples were analyzed for radiological, chemical and elemental components. Where analytical methods yielded additional contaminants other than those requested by the customer, these results were also reported. The target detection limits for isotopes analyzed were based on detection values of 1E-04 {micro}Ci/g for most radionuclides and customer desired detection values of 1E-05 {micro}Ci/g for I-129, Pa-231, Np-237, and Ra-226. While many of the target detection limits, as specified in the technical task request and task technical and quality assurance plans were met for the species characterized for Tank 19F, some were not met. In a number of cases, the relatively high levels of radioactive species of the same element or a chemically similar element precluded the ability to measure some isotopes to low levels. SRNL, in conjunction with the plant customer, reviewed all these cases and determined that the impacts were negligible.

  16. Parity nonconservation in /sup 19/F nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Elsener, K.; Gruebler, W.; Koenig, V.; Schmelzbach, P.A.; Ulbricht, J.; Vuaridel, B.; Singy, D.; Forstner, C.; Zhang, W.Z.

    1987-01-12

    The parity nonconserving asymmetry A/sub ..gamma../ in the decay of polarized /sup 19/F/sup */(110 keV) nuclei has been measured. A value of A/sub ..gamma../=-(6.83 +- 2.11) x 10/sup -5/ (total error) was found. Systematic errors are extensively investigated and found to be small. The absolute normalization is given by the /sup 19/F/sup */ polarization, which is found to be rho/sub F/=-0.52 +- 0.08 in a separate experiment, using a calibrated Compton polarimeter. The new result A/sub ..gamma../(/sup 19/F) is compared to earlier experiments and recent theoretical calculations. From an analysis including /sup 18/F and /sup 21/Ne results, constraints on the weak meson-nucleon coupling constants f/sub ..pi../ and h/sub rho//sup 0/ are deduced. Agreement with calculations based on the standard electroweak theory and QCD is found.

  17. GHz nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-12-01

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

  18. (19)F Oximetry with semifluorinated alkanes.

    Science.gov (United States)

    Kegel, Stefan; Chacon-Caldera, Jorge; Tsagogiorgas, Charalambos; Theisinger, Bastian; Glatting, Gerhard; Schad, Lothar R

    2016-12-01

    This work examines the variation of longitudinal relaxation rate R1(= 1/T1) of the (19)F-CF3-resonance of semifluorinated alkanes (SFAs) with oxygen tension (pO2), temperature (T) and pH in vitro. Contrary to their related perfluorocarbons (PFCs), SFA are amphiphilic and facilitate stable emulsions, a prerequisite for clinical use. A linear relationship between R1 and pO2 was confirmed for the observed SFAs at different temperatures. Using a standard saturation recovery sequence, T1 has been successfully measured using fluorine (19)F-MRI with a self-constructed birdcage resonator at 9.4 T. A calibration curve to calculate pO2 depending on T and R1 was found for each SFA used. In contrast to the commonly used PFC, SFAs are less sensitive to changes in pO2, but more sensitive to changes in temperature. The influence of pH to R1 was found to be negligible.

  19. The thermonuclear production of 19F by Wolf-Rayet stars revisited

    Science.gov (United States)

    Palacios, A.; Arnould, M.; Meynet, G.

    2005-11-01

    New models of rotating and non-rotating stars are computed for initial masses between 25 and 120 M_⊙ and for metallicities Z = 0.004, 0.008, 0.020, and 0.040 with the aim of reexamining the wind contribution of Wolf-Rayet (WR) stars to the 19F enrichment of the interstellar medium. Models with an initial rotation velocity υi = 300 km s-1 are found to globally eject less 19F than the non-rotating models. We compare our new predictions with those of Meynet & Arnould (2000, A&A, 355, 176), and demonstrate that the 19F yields are very sensitive to the still uncertain 19F (α ,p) 22Ne rate and to the adopted mass loss rates. Using the recommended mass loss rate values that take into account the clumping of the WR wind and the NACRE reaction rates, when available, we obtain WR 19F yields that are significantly lower than predicted by Meynet & Arnould (2000, A&A, 355, 176) and that would make WR stars non-important contributors to the galactic 19F budget. In view, however, of the large nuclear and mass loss rate uncertainties, we consider that the question of the WR contribution to the galactic 19F remains quite open.

  20. Evanescent Waves Nuclear Magnetic Resonance

    DEFF Research Database (Denmark)

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

    2016-01-01

    Nuclear Magnetic Resonance spectroscopy and imaging can be classified as inductive techniques working in the near- to far-field regimes. We investigate an alternative capacitive detection with the use of micrometer sized probes positioned at sub wavelength distances of the sample in order...

  1. Simultaneous 19F-1H medium resolution NMR spectroscopy for online reaction monitoring

    Science.gov (United States)

    Zientek, Nicolai; Laurain, Clément; Meyer, Klas; Kraume, Matthias; Guthausen, Gisela; Maiwald, Michael

    2014-12-01

    Medium resolution nuclear magnetic resonance (MR-NMR) spectroscopy is currently a fast developing field, which has an enormous potential to become an important analytical tool for reaction monitoring, in hyphenated techniques, and for systematic investigations of complex mixtures. The recent developments of innovative MR-NMR spectrometers are therefore remarkable due to their possible applications in quality control, education, and process monitoring. MR-NMR spectroscopy can beneficially be applied for fast, non-invasive, and volume integrating analyses under rough environmental conditions. Within this study, a simple 1/16″ fluorinated ethylene propylene (FEP) tube with an ID of 0.04″ (1.02 mm) was used as a flow cell in combination with a 5 mm glass Dewar tube inserted into a benchtop MR-NMR spectrometer with a 1H Larmor frequency of 43.32 MHz and 40.68 MHz for 19F. For the first time, quasi-simultaneous proton and fluorine NMR spectra were recorded with a series of alternating 19F and 1H single scan spectra along the reaction time coordinate of a homogeneously catalysed esterification model reaction containing fluorinated compounds. The results were compared to quantitative NMR spectra from a hyphenated 500 MHz online NMR instrument for validation. Automation of handling, pre-processing, and analysis of NMR data becomes increasingly important for process monitoring applications of online NMR spectroscopy and for its technical and practical acceptance. Thus, NMR spectra were automatically baseline corrected and phased using the minimum entropy method. Data analysis schemes were designed such that they are based on simple direct integration or first principle line fitting, with the aim that the analysis directly revealed molar concentrations from the spectra. Finally, the performance of 1/16″ FEP tube set-up with an ID of 1.02 mm was characterised regarding the limit of detection (LOQ (1H) = 0.335 mol L-1 and LOQ (19F) = 0.130 mol L-1 for trifluoroethanol in

  2. Evanescent Waves Nuclear Magnetic Resonance

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  3. (1)H and (19)F spin-lattice relaxation and CH3 or CF3 reorientation in molecular solids containing both H and F atoms.

    Science.gov (United States)

    Beckmann, Peter A; Rheingold, Arnold L

    2016-04-21

    The dynamics of methyl (CH3) and fluoromethyl (CF3) groups in organic molecular (van der Waals) solids can be exploited to survey their local environments. We report solid state (1)H and (19)F spin-lattice relaxationexperiments in polycrystalline 3-trifluoromethoxycinnamic acid, along with an X-ray diffraction determination of the molecular and crystal structure, to investigate the intramolecular and intermolecular interactions that determine the properties that characterize the CF3 reorientation. The molecule is of no particular interest; it simply provides a motionless backbone (on the nuclear magnetic resonance(NMR) time scale) to investigate CF3 reorientation occurring on the NMR time scale. The effects of (19)F-(19)F and (19)F-(1)H spin-spin dipolar interactions on the complicated nonexponential NMRrelaxation provide independent inputs into determining a model for CF3 reorientation. As such, these experiments provide much more information than when only one spin species (usually (1)H) is present. In Sec. IV, which can be read immediately after the Introduction without reading the rest of the paper, we compare the barrier to CH3 and CF3 reorientation in seven organic solids and separate this barrier into intramolecular and intermolecular components.

  4. Nuclear magnetic ordering in silver

    Energy Technology Data Exchange (ETDEWEB)

    Lefmann, K.

    1995-12-01

    Nuclear antiferromagnetic ordering has been observed by neutron diffraction in a single crystal of {sup 109}Ag. The critical temperature is found to 700 pK, and the critical field is 100 {mu}T. From the paramagnetic phase a second order phase transition leads into a type-I 1-k structure with long range order. The experiments have taken place at the Hahn-Meitner Institut in Berlin in collaboration with the low Temperature Laboratory in Helsinki, the Niels Bohr Institute in Copenhagen, and Risoe National Laboratory, Roskilde. The present report is a Ph.D. thesis which has been successfully defended at the Niels Bohr Institute. Besides the results of the nuclear ordering experiments the thesis contains a description of the theoretical background for nuclear magnetism and a review of earlier nuclear ordering experiments as well as theoretical work. The principles for studying polarized nuclei with use of polarized and unpolarized neutrons are presented, as well as the results of such experiments. (au) 11 tabs., 59 ills., 143 refs.

  5. Evidence of a structural phase transition in superconducting SmFeAsO1-xFx from 19F NMR

    Science.gov (United States)

    Majumder, M.; Ghoshray, K.; Mazumdar, C.; Poddar, A.; Ghoshray, A.; Berardan, D.; Dragoe, N.

    2013-01-01

    We report resistivity, magnetization and 19F NMR results in a polycrystalline sample of SmFeAsO0.86F0.14. The resistivity and magnetization data show a sharp drop at 48 K indicating a superconducting transition. The nuclear spin-lattice rate (1/T1) and spin-spin relaxation rate (1/T2) clearly show the existence of a structural phase transition near 163 K in the sample, which also undergoes a superconducting transition. This finding creates interest in exploring whether this is unique for Sm based systems or is also present in other rare-earth based 1111 superconductors.

  6. Protein dynamics from nuclear magnetic relaxation.

    Science.gov (United States)

    Charlier, Cyril; Cousin, Samuel F; Ferrage, Fabien

    2016-05-01

    Nuclear magnetic resonance is a ubiquitous spectroscopic tool to explore molecules with atomic resolution. Nuclear magnetic relaxation is intimately connected to molecular motions. Many methods and models have been developed to measure and interpret the characteristic rates of nuclear magnetic relaxation in proteins. These approaches shed light on a rich and diverse range of motions covering timescales from picoseconds to seconds. Here, we introduce some of the basic concepts upon which these approaches are built and provide a series of illustrations.

  7. Vies Moyennes Des Etats Excites Du 19F

    CERN Document Server

    Belafrites, A; Benazzouz, C; Benammar, M A

    2003-01-01

    The determination of the mean lifetime of excited states has been undertaken by coulomb excitation that is a process of inelastic scattering in which the incident particle is charged and provokes an excitation of the target nucleus by mean of the electromagnetic fields during the passage of the projectile. The cross section of this inelastic scattering is proportional to the width of the isomeric state. The mean lifetime of excited states of the 19F are determined by comparing the experimental results of reactions 19F(alpha,alpha' gamma)19F and 19F(p, p' gamma)19F with the theoretical calculations achieved with the help of the multiple coulomb excitation program Coulex. These mean lifetimes are compared to those restraints by Ajzenberg - Selove [1] and Alder and al. [2].

  8. Determination of {alpha}-widths in {sup 19}F relevant to fluorine nucleosynthesis

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, F. de [CSNSM, 91 - Orsay (France); Coc, A. [CSNSM, 91 - Orsay (France); Aguer, P. [CSNSM, 91 - Orsay (France); Angulo, C. [CSNSM, 91 - Orsay (France); Bogaert, G. [CSNSM, 91 - Orsay (France); Kiener, J. [CSNSM, 91 - Orsay (France); Lefebvre, A. [CSNSM, 91 - Orsay (France); Tatischeff, V. [CSNSM, 91 - Orsay (France); Thibaud, J.P. [CSNSM, 91 - Orsay (France); Fortier, S. [Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire; Maison, J.M. [Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire; Rosier, L. [Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire; Rotbard, G. [Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire; Vernotte, J. [Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire; Arnould, M. [Universite Libre de Bruxelles (Belgium). Inst. d`Astronomie et d`Astrophysique; Jorissen, A. [Universite Libre de Bruxelles (Belgium). Inst. d`Astronomie et d`Astrophysique; Mowlavi, N. [Universite Libre de Bruxelles (Belgium). Inst. d`Astronomie et d`Astrophysique

    1996-01-29

    Nucleosynthesis of fluorine in the context of helium burning occurs through the {sup 15}N({alpha},{gamma}){sup 19}F reaction. At temperatures where fluorine formation takes place in most astrophysical models, the narrow resonance associated with the 4.378 MeV level of {sup 19}F is expected to dominate the reaction rate, but its strength is not known. We used a {sup 15}N confined gas target to study this level by means of the transfer reaction {sup 15}N({sup 7}Li,t){sup 19}F at 28 MeV. Reaction products were analysed with a split pole magnetic spectrometer and the angular distributions for the first 16 levels of {sup 19}F were extracted. These distributions are fairly well reproduced by FR-DWBA calculations in the framework of an {alpha}-cluster transfer model with a compound nucleus contribution obtained by Hauser-Feshbach calculations. {alpha}-spectroscopic factors were deduced and, for unbound levels, the {alpha}-widths were determined and compared with the existing direct measurements. The {alpha}-width of the level of astrophysical interest (E{sub x} 4.378 MeV) was found to be {Gamma}{sub {alpha}}=1.5 x 10{sup -9} eV, a value 60 times smaller than the commonly used one. The astrophysical consequences for {sup 19}F production in AGB stars are discussed. (orig.).

  9. Double-tuned radiofrequency coil for (19)F and (1)H imaging.

    Science.gov (United States)

    Otake, Yosuke; Soutome, Yoshihisa; Hirata, Koji; Ochi, Hisaaki; Bito, Yoshitaka

    2014-01-01

    We developed a double-tuned radiofrequency (RF) coil using a novel circuit method to double tune for fluorine-19 (19F) and 1H magnetic resonance imaging, whose frequencies are very close to each other. The RF coil consists of 3 parallel-connected series inductor capacitor circuits. A computer simulation for our double-tuned RF coil with a phantom demonstrated that the coil has tuned resonant frequency and high sensitivity for both 19F and 1H. Drug distribution was visualized at 7 tesla using this RF coil and a rat administered perfluoro 15-crown-5-ether emulsion. The double-tune RF coil we developed may be a powerful tool for 19F and 1H imaging.

  10. Analysis of Cross-Polarization Dynamics between Two Abundant Nuclei, 19F and 1H, Based on Spin Thermodynamics Theory

    Science.gov (United States)

    Ando, Shinji; Harris, Robin K.; Reinsberg, Stefan A.

    1999-11-01

    The phenomenological theory of spin thermodynamics based on the spin temperature hypothesis was employed to describe the cross-polarization (CP) dynamics between two abundant nuclei, 19F and 1H, when the number of fluorine atoms is not substantially less than the number of hydrogens. The influence of T1ρ's of both nuclei and the relative magnitude (heat capacity) of the two spin baths must be incorporated explicitly into the analysis in order to derive values for the parameters involved in the CP dynamics. Numerical calculations were performed to clarify the difference in the evolution of magnetization in variable contact time CP experiments between the 1H → 13C and 1H → 19F cases. A new type of CP-drain experiment was developed for observing the residual 1H magnetization after 1H → 19F CP. 19F direct polarization magic-angle spinning (MAS), 1H → 19F CP, and 1H → 19F CP-drain MAS NMR spectra have been measured for a fluorinated polyimide, 6FDA/ODA. The CP dynamics between 1H and 19F for the polyimide were analyzed on the basis of the spin thermodynamics theory. The constant for polarization transfer (THF) was determined by the analysis using the effective CP parameters, which were directly obtained from the CP and CP-drain experiments, together with independently measured values of TH1ρ and TF1ρ.

  11. DFT-GIAO calculation of properties of {sup 19}F NMR and stability study of environmentally relevant perfluoroalkylsulfonamides (PFASAmide)

    Energy Technology Data Exchange (ETDEWEB)

    Mejia-Urueta, Rafael; Mestre-Quintero, Kleyber; Vivas-Reyes, Ricardo, E-mail: rvivasr@unicartagena.edu.co [Grupo de Quimica Cuantica y Teorica, Facultad de Ciencias Exactas y Naturales, Universidad de Cartagena, Cartagena (Colombia)

    2011-09-15

    Perfluorinated organic compounds (POCs), such as perfluorooctanesulfonate (PFOS) and perfluoroalkylsulfonamide (PFASA) are compounds that have recently attracted considerable attention worldwide because of its high persistence and wide distribution in the environment. Among the spectroscopic methods used to study the PFASA, {sup 19}F nuclear magnetic resonance (NMR {sup 19}F) is very effective, due to its ability to determine concentrations of PFASA in biological samples and measure pollution in water samples. For this reason, a theoretical study of the properties of {sup 19}F NMR was performed. In this study we have determined the shielding constant ({sigma}) for different fluorine nucleus of the 18 molecules under study, using density functional theory (DFT) and GIAO method with the B3PW91/6-31+G(d,p) level of calculation. The {sigma} calculations were made at vacuum and in presence of a solvent. The values of chemical shifts ({delta}), were also calculated in a different level of theory. The best results were obtained with the level of calculation DFT-GIAO/B3PW91/6-31+G(d,p) by considering the solvent such as dimethylsulfoxide (DMSO), chloroform (CHCl{sub 3}), acetone (CH{sub 3}COCH{sub 3}) and methanol (CH{sup 3}OH). The results were interpreted in terms of calculated hardness at DFT/B3PW91/6-31+G(d, p) level. The behaviour of the hardness was higher in the molecules of four carbons PFASA than eight carbons. This explain theoretically resistance of four carbons PFAS to be transformed into perfluorobutanesulfonate (PFBS). (author)

  12. NMR shielding and spin–rotation constants of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules

    Energy Technology Data Exchange (ETDEWEB)

    Demissie, Taye B. [Centre for Theoretical and Computational Chemistry Department of Chemistry, UiT – The Arctic University of Norway, N-9037 Tromsø (Norway)

    2015-12-31

    This presentation demonstrates the relativistic effects on the spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants and shielding spans of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules. The results are obtained from calculations performed using density functional theory (non-relativistic and four-component relativistic) and coupled-cluster calculations. The spin-rotation constants are compared with available experimental values. In most of the molecules studied, relativistic effects make an order of magnitude difference on the NMR absolute shielding constants.

  13. Nuclear magnetic resonance. Tomography of tomorrow

    Energy Technology Data Exchange (ETDEWEB)

    Ethier, R.; Melanson, D.; Peters, T.M. (Montreal Neurological Inst., Quebec (Canada))

    1983-10-01

    Ten years following computerized tomography, a new technique called nuclear magnetic resonance revolutionizes the field of diagnostic imaging. A major advantage of nuclear magnetic resonance is that the danger of radiation is non-existent as compared to computerized tomography. When parts of the human body are subject to radio-frequencies while in a fixed magnetic field, its most detailed structures are revealed. The quality of images, the applications, as well as the indications are forever increasing. Images obtained at the level of the brain and spinal cord through nuclear magnetic resonance supercede those obtained through computerized tomography. Hence, it is most likely that myelography, along with pneumoencephalography will be eliminated as a diagnostic means. It is without a doubt that nuclear magnetic resonance is tomorrow's computerized tomography.

  14. In vivo imaging of stepwise vessel occlusion in cerebral photothrombosis of mice by 19F MRI.

    Directory of Open Access Journals (Sweden)

    Gesa Weise

    Full Text Available BACKGROUND: (19F magnetic resonance imaging (MRI was recently introduced as a promising technique for in vivo cell tracking. In the present study we compared (19F MRI with iron-enhanced MRI in mice with photothrombosis (PT at 7 Tesla. PT represents a model of focal cerebral ischemia exhibiting acute vessel occlusion and delayed neuroinflammation. METHODS/PRINCIPAL FINDINGS: Perfluorocarbons (PFC or superparamagnetic iron oxide particles (SPIO were injected intravenously at different time points after photothrombotic infarction. While administration of PFC directly after PT induction led to a strong (19F signal throughout the entire lesion, two hours delayed application resulted in a rim-like (19F signal at the outer edge of the lesion. These findings closely resembled the distribution of signal loss on T2-weighted MRI seen after SPIO injection reflecting intravascular accumulation of iron particles trapped in vessel thrombi as confirmed histologically. By sequential administration of two chemically shifted PFC compounds 0 and 2 hours after illumination the different spatial distribution of the (19F markers (infarct core/rim could be visualized in the same animal. When PFC were applied at day 6 the fluorine marker was only detected after long acquisition times ex vivo. SPIO-enhanced MRI showed slight signal loss in vivo which was much more prominent ex vivo indicative for neuroinflammation at this late lesion stage. CONCLUSION: Our study shows that vessel occlusion can be followed in vivo by (19F and SPIO-enhanced high-field MRI while in vivo imaging of neuroinflammation remains challenging. The timing of contrast agent application was the major determinant of the underlying processes depicted by both imaging techniques. Importantly, sequential application of different PFC compounds allowed depiction of ongoing vessel occlusion from the core to the margin of the ischemic lesions in a single MRI measurement.

  15. Through-space (19)F-(19)F spin-spin coupling in ortho-fluoro Z-azobenzene.

    Science.gov (United States)

    Rastogi, Shiva K; Rogers, Robert A; Shi, Justin; Brown, Christopher T; Salinas, Cindy; Martin, Katherine M; Armitage, Jacob; Dorsey, Christopher; Chun, Gao; Rinaldi, Peter; Brittain, William J

    2016-02-01

    We report through-space (TS) (19)F-(19)F coupling for ortho-fluoro-substituted Z-azobenzenes. The magnitude of the TS-coupling constant ((TS) JFF ) ranged from 2.2-5.9 Hz. Using empirical formulas reported in the literature, these coupling constants correspond to non-bonded F-F distances (dFF) of 3.0-3.5 Å. These non-bonded distances are significantly smaller than those determined by X-ray crystallography or density functional theory, which argues that simple models of (19)F-(19)F TS spin-spin coupling solely based dFF are not applicable. (1)H, (13)C and (19)F data are reported for both the E and Z isomers of ten fluorinated azobenzenes. Density functional theory [B3YLP/6-311++G(d,p)] was used to calculate (19) F chemical shifts, and the calculated values deviated 0.3-10.0 ppm compared with experimental values.

  16. {sup 19}F MRI oximetry: simulation of perfluorocarbon distribution impact

    Energy Technology Data Exchange (ETDEWEB)

    Baete, S H; Vandecasteele, J; De Deene, Y, E-mail: steven.baete@ugent.be [Department of Radiation Oncology and Experimental Cancer Research, Ghent University, De Pintelaan 185, 9000 Gent (Belgium)

    2011-04-21

    In {sup 19}F MRI oximetry, a method used to image tumour hypoxia, perfluorocarbons serve as oxygenation markers. The goal of this study is to evaluate the impact of perfluorocarbon distribution and concentration in {sup 19}F MRI oximetry through a computer simulation. The simulation studies the correspondence between {sup 19}F measured (pO{sup FNMR}{sub 2}) and actual tissue oxygen tension (pO{sub 2}) for several tissue perfluorocarbon distributions. For this, a Krogh tissue model is implemented which incorporates the presence of perfluorocarbons in blood and tissue. That is, in tissue the perfluorocarbons are distributed homogeneously according to Gaussian diffusion profiles, or the perfluorocarbons are concentrated in the capillary wall. Using these distributions, the oxygen tension in the simulation volume is calculated. The simulated mean oxygen tension is then compared with pO{sup FNMR}{sub 2}, the {sup 19}F MRI-based measure of pO{sub 2} and with pO{sup 0}{sub 2}, pO{sub 2} in the absence of perfluorocarbons. The agreement between pO{sup FNMR}{sub 2} and actual pO{sub 2} is influenced by vascular density and perfluorocarbon distribution. The presence of perfluorocarbons generally gives rise to a pO{sub 2} increase in tissue. This effect is enhanced when perfluorocarbons are also present in blood. Only the homogeneous perfluorocarbon distribution in tissue with no perfluorocarbons in blood guarantees small deviations of pO{sup FNMR}{sub 2} from pO{sub 2}. Hence, perfluorocarbon distribution in tissue and blood has a serious impact on the reliability of {sup 19}F MRI-based measures of oxygen tension. In addition, the presence of perfluorocarbons influences the actual oxygen tension. This finding may be of great importance for further development of {sup 19}F MRI oximetry.

  17. 19F MRI oximetry: simulation of perfluorocarbon distribution impact

    Science.gov (United States)

    Baete, S. H.; Vandecasteele, J.; De Deene, Y.

    2011-04-01

    In 19F MRI oximetry, a method used to image tumour hypoxia, perfluorocarbons serve as oxygenation markers. The goal of this study is to evaluate the impact of perfluorocarbon distribution and concentration in 19F MRI oximetry through a computer simulation. The simulation studies the correspondence between 19F measured (pOFNMR2) and actual tissue oxygen tension (pO2) for several tissue perfluorocarbon distributions. For this, a Krogh tissue model is implemented which incorporates the presence of perfluorocarbons in blood and tissue. That is, in tissue the perfluorocarbons are distributed homogeneously according to Gaussian diffusion profiles, or the perfluorocarbons are concentrated in the capillary wall. Using these distributions, the oxygen tension in the simulation volume is calculated. The simulated mean oxygen tension is then compared with pOFNMR2, the 19F MRI-based measure of pO2 and with pO02, pO2 in the absence of perfluorocarbons. The agreement between pOFNMR2 and actual pO2 is influenced by vascular density and perfluorocarbon distribution. The presence of perfluorocarbons generally gives rise to a pO2 increase in tissue. This effect is enhanced when perfluorocarbons are also present in blood. Only the homogeneous perfluorocarbon distribution in tissue with no perfluorocarbons in blood guarantees small deviations of pOFNMR2 from pO2. Hence, perfluorocarbon distribution in tissue and blood has a serious impact on the reliability of 19F MRI-based measures of oxygen tension. In addition, the presence of perfluorocarbons influences the actual oxygen tension. This finding may be of great importance for further development of 19F MRI oximetry.

  18. Synthesis of 19F in Wolf-Rayet stars

    Science.gov (United States)

    Meynet, G.; Arnould, M.

    2000-03-01

    Meynet & Arnould (1993) have suggested that Wolf-Rayet (WR) stars could significantly contaminate the Galaxy with \\chem{19}{F}. In their scenario, \\chem{19}{F} is synthesized at the beginning of the He-burning phase from the \\chem{14}{N} left over by the previous CNO-burning core, and is ejected in the interstellar medium when the star enters its WC phase. Recourse to CNO seeds makes the \\chem{19}{F} yields metallicity-dependent. These yields are calculated on grounds of detailed stellar evolutionary sequences for an extended range of initial masses (from 25 to 120 Msun) and metallicities (Z=0.008, 0.02 and 0.04). The adopted mass loss rate prescription enables to account for the observed variations of WR populations in different environments. The \\chem{19}{F} abundance in the WR winds of 60 M_sun model stars is found to be about 10 to 70 times higher than its initial value, depending on the metallicity. This prediction is used in conjunction with a very simple model for the chemical evolution of the Galaxy to predict that WR stars could be significant (dominant?) contributors to the solar system fluorine content. We also briefly discuss the implications of our model on the possible detection of fluorine at high redshift.

  19. Synthesis of $^{19}F$ in Wolf-Rayet stars

    CERN Document Server

    Meynet, G

    2000-01-01

    Meynet and Arnould (1993) have suggested that Wolf-Rayet (WR) stars could significantly contaminate the Galaxy with 19F. In their scenario, 19F is synthesized at the beginning of the He-burning phase from the 14N left over by the previous CNO-burning core, and is ejected in the interstellar medium when the star enters its WC phase. Recourse to CNO seeds makes the 19F yields metallicity-dependent. These yields are calculated on grounds of detailed stellar evolutionary sequences for an extended range of initial masses (from 25 to 120 Msol) and metallicities (Z = 0.008, 0.02 and 0.04). The adopted mass loss rate prescription enables to account for the observed variations of WR populations in different environments. The 19F abundance in the WR winds of 60 Msol model stars is found to be about 10 to 70 times higher than its initial value, depending on the metallicity. This prediction is used in conjunction with a very simple model for the chemical evolution of the Galaxy to predict that WR stars could be significa...

  20. Clonal distribution of pneumococcal serotype 19F isolates from Ghana.

    Science.gov (United States)

    Sparding, Nadja; Dayie, Nicholas T K D; Mills, Richael O; Newman, Mercy J; Dalsgaard, Anders; Frimodt-Møller, Niels; Slotved, Hans-Christian

    2015-04-01

    Streptococcus pneumoniae is a major cause of morbidity and mortality worldwide. Pneumococcal strains are classified according to their capsular polysaccharide and more than 90 different serotypes are currently known. In this project, three distinct groups of pneumococcal carriage isolates from Ghana were investigated; isolates from healthy children in Tamale and isolates from both healthy and children attending the outpatient department at a hospital in Accra. The isolates were previously identified and characterized by Gram staining, serotyping and susceptibility to penicillin. In this study, isolates of the common serotype 19F were further investigated by Multi-Locus Sequence Typing (MLST). Overall, 14 different Sequence Types (STs) were identified by MLST, of which nine were novel based on the international MLST database. Two clones within serotype 19F seem to circulate in Ghana, a known ST (ST 4194) and a novel ST (ST 9090). ST 9090 was only found in healthy children in Accra, whereas ST 4194 was found equally in all children studied. In the MLST database, other isolates of ST 4194 were also associated with serotype 19F, and these isolates came from other West African countries. The majority of isolates were penicillin intermediate resistant. In conclusion, two clones within serotype 19F were found to be dominating in pneumococcal carriage in Accra and Tamale in Ghana. Furthermore, it seems as though the clonal distribution of serotype 19F may be different from what is currently known in Ghana in that many new clones were identified. This supports the importance of continued monitoring of pneumococcal carriage in Ghana and elsewhere when vaccines, e.g., PCV-13, have been introduced to monitor the possible future spread of antimicrobial resistant clones.

  1. Novel fluorinated ligands for gold nanoparticle labelling with applications in (19)F-MRI.

    Science.gov (United States)

    Michelena, Olatz; Padro, Daniel; Carrillo-Carrión, Carolina; Del Pino, Pablo; Blanco, Jorge; Arnaiz, Blanca; Parak, Wolfgang J; Carril, Mónica

    2017-02-21

    Novel fluorinated ligands for gold nanoparticle labelling have been designed and synthesised. Several types of gold nanoparticles have been prepared in the presence of these fluorinated ligands alone, or in combination with non-fluorinated ligands. Their colloidal stability in water and other solvents was tested and the magnetic resonance properties of the so-obtained nanoparticles were also assessed in detail. (1)H and (19)F-NMR spectra were evaluated and MRI phantoms of the most promising nanoparticles were successfully measured in (19)F-MRI. The MRI signal to noise ratio was related to the fluorine concentration and compared with ICP-MS data to correlate the real concentration of fluorine grafted onto the nanoparticles with the actually active fluorine in MRI.

  2. Near-zero-field nuclear magnetic resonance

    OpenAIRE

    Ledbetter, Micah; Theis, Thomas; Blanchard, John; Ring, Hattie; Ganssle, Paul; Appelt, Stephan; Bluemich, Bernhard; Pines, Alex; Budker, Dmitry

    2011-01-01

    We investigate nuclear magnetic resonance (NMR) in near-zero-field, where the Zeeman interaction can be treated as a perturbation to the electron mediated scalar interaction (J-coupling). This is in stark contrast to the high field case, where heteronuclear J-couplings are normally treated as a small perturbation. We show that the presence of very small magnetic fields results in splitting of the zero-field NMR lines, imparting considerable additional information to the pure zero-field spectr...

  3. Determining diffusion coefficients of ionic liquids by means of field cycling nuclear magnetic resonance relaxometry

    Science.gov (United States)

    Kruk, D.; Meier, R.; Rachocki, A.; Korpała, A.; Singh, R. K.; Rössler, E. A.

    2014-06-01

    Field Cycling Nuclear Magnetic Resonance (FC NMR) relaxation studies are reported for three ionic liquids: 1-ethyl-3- methylimidazolium thiocyanate (EMIM-SCN, 220-258 K), 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM-BF4, 243-318 K), and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF6, 258-323 K). The dispersion of 1H spin-lattice relaxation rate R1(ω) is measured in the frequency range of 10 kHz-20 MHz, and the studies are complemented by 19F spin-lattice relaxation measurements on BMIM-PF6 in the corresponding frequency range. From the 1H relaxation results self-diffusion coefficients for the cation in EMIM-SCN, BMIM-BF4, and BMIM-PF6 are determined. This is done by performing an analysis considering all relevant intra- and intermolecular relaxation contributions to the 1H spin-lattice relaxation as well as by benefiting from the universal low-frequency dispersion law characteristic of Fickian diffusion which yields, at low frequencies, a linear dependence of R1 on square root of frequency. From the 19F relaxation both anion and cation diffusion coefficients are determined for BMIM-PF6. The diffusion coefficients obtained from FC NMR relaxometry are in good agreement with results reported from pulsed- field-gradient NMR. This shows that NMR relaxometry can be considered as an alternative route of determining diffusion coefficients of both cations and anions in ionic liquids.

  4. magnetic order studied by nuclear methods

    CERN Document Server

    Reichl, C

    2001-01-01

    investigated within the frame of this work. The studies on the highly concentrated deuterides revealed a gradual loss in local field due to a distribution of 'local Curie temperatures' depending on the number of Fe neighbours and their distances from the Moessbauer nucleus. On rising the temperature, during a magnetic transition, an increasing number of Fe sites with different local environment loose their hyperfine fields, whereas bulk measurements showed a relatively sharp, however, incomplete transition. By using a combination of neutron diffraction- and muon spin relaxation studies the complex magnetic phase diagram of the system Ce(Rh,Ru) sub 3 B sub 2 , where weak magnetic moments exist, could be studied. There, transitions from para- to ferromagnetism, and more complicated magnetic structures could be observed. Due to the existence of several isotopes of B and Ru, each carrying different nuclear spins and magnetic moment, particularly complicated second moment simulations for interpreting the muon data...

  5. Clonal distribution of pneumococcal serotype 19F isolates from Ghana

    DEFF Research Database (Denmark)

    Sparding, Nadja; Dayie, Nicholas Tete Kwaku Dzifa; Mills, Richael O.

    2015-01-01

    Streptococcus pneumoniae is a major cause of morbidity and mortality worldwide. Pneumococcal strains are classified according to their capsular polysaccharide and more than 90 different serotypes are currently known. In this project, three distinct groups of pneumococcal carriage isolates from...... Ghana were investigated; isolates from healthy children in Tamale and isolates from both healthy and children attending the outpatient department at a hospital in Accra. The isolates were previously identified and characterized by Gram staining, serotyping and susceptibility to penicillin. In this study....... The majority of isolates were penicillin intermediate resistant. In conclusion, two clones within serotype 19F were found to be dominating in pneumococcal carriage in Accra and Tamale in Ghana. Furthermore, it seems as though the clonal distribution of serotype 19F may be different from what is currently known...

  6. Mapping In Vivo Tumor Oxygenation within Viable Tumor by 19F-MRI and Multispectral Analysis

    Directory of Open Access Journals (Sweden)

    Yunzhou Shi

    2013-11-01

    Full Text Available Quantifying oxygenation in viable tumor remains a major obstacle toward a better understanding of the tumor microenvironment and improving treatment strategies. Current techniques are often complicated by tumor heterogeneity. Herein, a novel in vivo approach that combines 19F magnetic resonance imaging (19F-MRIR1 mapping with diffusionbased multispectral (MS analysis is introduced. This approach restricts the partial pressure of oxygen (pO2 measurements to viable tumor, the tissue of therapeutic interest. The technique exhibited sufficient sensitivity to detect a breathing gas challenge in a xenograft tumor model, and the hypoxic region measured by MS 19F-MRI was strongly correlated with histologic estimates of hypoxia. This approach was then applied to address the effects of antivascular agents on tumor oxygenation, which is a research question that is still under debate. The technique was used to monitor longitudinal pO2 changes in response to an antibody to vascular endothelial growth factor (B20.4.1.1 and a selective dual phosphoinositide 3-kinase/mammalian target of rapamycin inhibitor (GDC-0980. GDC-0980 reduced viable tumor pO2 during a 3-day treatment period, and a significant reduction was also produced by B20.4.1.1. Overall, this method provides an unprecedented view of viable tumor pO2 and contributes to a greater understanding of the effects of antivascular therapies on the tumor's microenvironment.

  7. Experimental test of nuclear magnetization distribution and nuclear structure models

    Energy Technology Data Exchange (ETDEWEB)

    Beirsdorfer, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Lopez-Urrutia, J Crespo R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Utter, S. B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    1999-02-26

    Models exist that ascribe the nuclear magnetic fields to the presence of a single nucleon whose spin is not neutralized by pairing it up with that of another nucleon; other models assume that the generation of the magnetic field is shared among some or all nucleons throughout the nucleus. All models predict the same magnetic field external to the nucleus since this is an anchor provided by experiments. The models differ, however, in their predictions of the magnetic field arrangement within the nucleus for which no data exist. The only way to distinguish which model gives the correct description of the nucleus would be to use a probe inserted into the nucleus. The goal of our project was to develop exactly such a probe and to use it to measure fundamental nuclear quantities that have eluded experimental scrutiny. The need for accurately knowing such quantities extends far beyond nuclear physics and has ramifications in parity violation experiments on atomic traps and the testing of the standard model in elementary particle physics. Unlike scattering experiments that employ streams of free particles, our technique to probe the internal magnetic field distribution of the nucleus rests on using a single bound electron. Quantum mechanics shows that an electron in the innermost orbital surrounding the nucleus constantly dives into the nucleus and thus samples the fields that exist inside. This sampling of the nucleus usually results in only minute shifts in the electron' s average orbital, which would be difficult to detect. By studying two particular energy states of the electron, we can, however, dramatically enhance the effects of the distribution of the magnetic fields in the nucleus. In fact about 2% of the energy difference between the two states, dubbed the hyperfine splitting, is determined by the effects related to the distribution of magnetic fields in the nucleus, A precise measurement of this energy difference (better than 0.01%) would then allow us to

  8. STATISTICAL ANALYSIS OF TANK 19F FLOOR SAMPLE RESULTS

    Energy Technology Data Exchange (ETDEWEB)

    Harris, S.

    2010-09-02

    Representative sampling has been completed for characterization of the residual material on the floor of Tank 19F as per the statistical sampling plan developed by Harris and Shine. Samples from eight locations have been obtained from the tank floor and two of the samples were archived as a contingency. Six samples, referred to in this report as the current scrape samples, have been submitted to and analyzed by SRNL. This report contains the statistical analysis of the floor sample analytical results to determine if further data are needed to reduce uncertainty. Included are comparisons with the prior Mantis samples results to determine if they can be pooled with the current scrape samples to estimate the upper 95% confidence limits (UCL95%) for concentration. Statistical analysis revealed that the Mantis and current scrape sample results are not compatible. Therefore, the Mantis sample results were not used to support the quantification of analytes in the residual material. Significant spatial variability among the current scrape sample results was not found. Constituent concentrations were similar between the North and South hemispheres as well as between the inner and outer regions of the tank floor. The current scrape sample results from all six samples fall within their 3-sigma limits. In view of the results from numerous statistical tests, the data were pooled from all six current scrape samples. As such, an adequate sample size was provided for quantification of the residual material on the floor of Tank 19F. The uncertainty is quantified in this report by an UCL95% on each analyte concentration. The uncertainty in analyte concentration was calculated as a function of the number of samples, the average, and the standard deviation of the analytical results. The UCL95% was based entirely on the six current scrape sample results (each averaged across three analytical determinations).

  9. Near-zero-field nuclear magnetic resonance

    CERN Document Server

    Ledbetter, Micah; Blanchard, John; Ring, Hattie; Ganssle, Paul; Appelt, Stephan; Bluemich, Bernhard; Pines, Alex; Budker, Dmitry

    2011-01-01

    We investigate nuclear magnetic resonance (NMR) in near-zero-field, where the Zeeman interaction can be treated as a perturbation to the electron mediated scalar interaction (J-coupling). This is in stark contrast to the high field case, where heteronuclear J-couplings are normally treated as a small perturbation. We show that the presence of very small magnetic fields results in splitting of the zero-field NMR lines, imparting considerable additional information to the pure zero-field spectra. Experimental results are in good agreement with first-order perturbation theory and with full numerical simulation when perturbation theory breaks down. We present simple rules for understanding the splitting patterns in near-zero-field NMR, which can be applied to molecules with non-trivial spectra.

  10. Near-zero-field nuclear magnetic resonance.

    Science.gov (United States)

    Ledbetter, M P; Theis, T; Blanchard, J W; Ring, H; Ganssle, P; Appelt, S; Blümich, B; Pines, A; Budker, D

    2011-09-02

    We investigate nuclear magnetic resonance (NMR) in near zero field, where the Zeeman interaction can be treated as a perturbation to the electron mediated scalar interaction (J coupling). This is in stark contrast to the high-field case, where heteronuclear J couplings are normally treated as a small perturbation. We show that the presence of very small magnetic fields results in splitting of the zero-field NMR lines, imparting considerable additional information to the pure zero-field spectra. Experimental results are in good agreement with first-order perturbation theory and with full numerical simulation when perturbation theory breaks down. We present simple rules for understanding the splitting patterns in near-zero-field NMR, which can be applied to molecules with nontrivial spectra.

  11. Theoretical Analysis of Neutron Double-Differential Cross Section of n + 19F at 14.2 MeV

    Institute of Scientific and Technical Information of China (English)

    DUAN Jun-Feng; YAN Yu-Liang; SUN Xiao-Jun; ZHANG Yue; ZHANG Jing-Shang

    2007-01-01

    A new light nuclear reaction model has been developed and the double-differential measurements of 1p shell nuclei have been analyzed successfully. Now, the application of this model is expanded to 19F of the 2s-1d shell nucleus. The double-differential cross section of total outgoing neutron for n + 19F reactions at En = 14.2 MeV has been calculated and analyzed, which agrees fairly well with the experimental measurements. In this paper, the contributions from different reaction channels to the double-differential cross sections have been analyzed in detail. The calculations indicate that this light nuclear reaction model is also able to be used for the 2s-1d shell nucleus so long as the related level scheme could be provided sufficiently.

  12. Determining diffusion coefficients of ionic liquids by means of field cycling nuclear magnetic resonance relaxometry

    Energy Technology Data Exchange (ETDEWEB)

    Kruk, D. [Faculty of Mathematics and Computer Science, University of Warmia and Mazury in Olsztyn, Słoneczna 54, PL-10710 Olsztyn (Poland); Universität Bayreuth, Experimentalphysik II, 95440 Bayreuth (Germany); Meier, R.; Rössler, E. A. [Universität Bayreuth, Experimentalphysik II, 95440 Bayreuth (Germany); Rachocki, A. [Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznań (Poland); Korpała, A. [Department of Biophysics, Jagiellonian University Medical College, Łazarza 16, 31-530 Kraków, Poland and Institute of Physics, Jagiellonian University, Reymonta 4, 30-059 Kraków (Poland); Singh, R. K. [Ionic Liquid and Solid State Ionics Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221 005 (India)

    2014-06-28

    Field Cycling Nuclear Magnetic Resonance (FC NMR) relaxation studies are reported for three ionic liquids: 1-ethyl-3- methylimidazolium thiocyanate (EMIM-SCN, 220–258 K), 1-butyl-3-methylimidazolium tetrafluoroborate (BMIM-BF{sub 4}, 243–318 K), and 1-butyl-3-methylimidazolium hexafluorophosphate (BMIM-PF{sub 6}, 258–323 K). The dispersion of {sup 1}H spin-lattice relaxation rate R{sub 1}(ω) is measured in the frequency range of 10 kHz–20 MHz, and the studies are complemented by {sup 19}F spin-lattice relaxation measurements on BMIM-PF{sub 6} in the corresponding frequency range. From the {sup 1}H relaxation results self-diffusion coefficients for the cation in EMIM-SCN, BMIM-BF{sub 4}, and BMIM-PF{sub 6} are determined. This is done by performing an analysis considering all relevant intra- and intermolecular relaxation contributions to the {sup 1}H spin-lattice relaxation as well as by benefiting from the universal low-frequency dispersion law characteristic of Fickian diffusion which yields, at low frequencies, a linear dependence of R{sub 1} on square root of frequency. From the {sup 19}F relaxation both anion and cation diffusion coefficients are determined for BMIM-PF{sub 6}. The diffusion coefficients obtained from FC NMR relaxometry are in good agreement with results reported from pulsed- field-gradient NMR. This shows that NMR relaxometry can be considered as an alternative route of determining diffusion coefficients of both cations and anions in ionic liquids.

  13. Experiments in Nuclear Magnetic Resonance Microscopy

    Science.gov (United States)

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

    2006-03-01

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

  14. Tracking Perfluorocarbon Nanoemulsion Delivery by 19F MRI for Precise High Intensity Focused Ultrasound Tumor Ablation

    Science.gov (United States)

    Shin, Soo Hyun; Park, Eun-Joo; Min, Changki; Choi, Sun Il; Jeon, Soyeon; Kim, Yun-Hee; Kim, Daehong

    2017-01-01

    Perfluorocarbon nanoemulsions (PFCNEs) have recently been undergoing rigorous study to investigate their ability to improve the therapeutic efficacy of tumor ablation by high intensity focused ultrasound (HIFU). For precise control of PFCNE delivery and thermal ablation, their accumulation and distribution in a tumor should be quantitatively analyzed. Here, we used fluorine-19 (19F) magnetic resonance imaging (MRI) to quantitatively track PFCNE accumulation in a tumor, and analyzed how intra-tumoral PFCNE quantities affect the therapeutic efficacy of HIFU treatment. Ablation outcomes were assessed by intra-voxel incoherent motion analysis and bioluminescent imaging up to 14 days after the procedure. Assessment of PFCNE delivery and treatment outcomes showed that 2-3 mg/mL of PFCNE in a tumor produces the largest ablation volume under the same HIFU insonation conditions. Histology showed varying degrees of necrosis depending on the amount of PFCNE delivered. 19F MRI promises to be a valuable platform for precisely guiding PFCNE-enhanced HIFU ablation of tumors. PMID:28255351

  15. Spatial localization in nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-08-21

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

  16. Pharmaceutical Applications of Relaxation Filter-Selective Signal Excitation Methods for ¹⁹F Solid-State Nuclear Magnetic Resonance: Case Study With Atorvastatin in Dosage Formulation.

    Science.gov (United States)

    Asada, Mamiko Nasu; Nemoto, Takayuki; Mimura, Hisashi

    2016-03-01

    We recently developed several new relaxation filter-selective signal excitation (RFS) methods for (13)C solid-state nuclear magnetic resonance (NMR) that allow (13)C signal extraction of the target components from pharmaceuticals. These methods were successful in not only qualification but also quantitation over the wide range of 5% to 100%. Here, we aimed to improve the sensitivity of these methods and initially applied them to (19)F solid-state NMR, on the basis that the fluorine atom is one of the most sensitive NMR-active nuclei. For testing, we selected atorvastatin calcium (ATC), an antilipid BCS class II drug that inhibits 3-hydroxy-3-methylglutaryl-coenzyme A reductase and is marketed in crystalline and amorphous forms. Tablets were obtained from 2 generic drug suppliers, and the ATC content occurred mainly as an amorphous form. Using the RFS method with (19)F solid-state NMR, we succeeded in qualifying trace amounts (less than 0.5% w/w level) of crystalline phase (Form I) of ATC in the tablets. RFS methods with (19)F solid-state NMR are practical and time efficient and can contribute not only to the study of pharmaceutical drugs, including those with small amounts of a highly potent active ingredient within a formulated product, but also to the study of fluoropolymers in material sciences. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  17. Quantum information processing through nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Bulnes, J.D.; Sarthour, R.S.; Oliveira, I.S. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Bonk, F.A.; Azevedo, E.R. de; Bonagamba, T.J. [Sao Paulo Univ., Sao Carlos, SP (Brazil). Inst. de Fisica; Freitas, J.C.C. [Espirito Santo Univ., Vitoria, ES (Brazil). Dept. de Fisica

    2005-09-15

    We discuss the applications of Nuclear Magnetic Resonance (NMR) to quantum information processing, focusing on the use of quadrupole nuclei for quantum computing. Various examples of experimental implementation of logic gates are given and compared to calculated NMR spectra and their respective density matrices. The technique of Quantum State Tomography for quadrupole nuclei is briefly described, and examples of measured density matrices in a two-qubit I = 3/2 spin system are shown. Experimental results of density matrices representing pseudo-Bell states are given, and an analysis of the entropy of theses states is made. Considering an NMR experiment as a depolarization quantum channel we calculate the entanglement fidelity and discuss the criteria for entanglement in liquid state NMR quantum information. A brief discussion on the perspectives for NMR quantum computing is presented at the end. (author)

  18. Quantum information processing and nuclear magnetic resonance

    CERN Document Server

    Cummins, H K

    2001-01-01

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

  19. Nuclear magnetic resonance imaging of the spine

    Energy Technology Data Exchange (ETDEWEB)

    Modic, M.T.; Weinstein, M.A.; Pavlicek, W.; Starnes, D.L.; Duchesneau, P.M.; Boumphrey, F.; Hardy, R.J. Jr.

    1984-01-01

    Forty subjects were examined to determine the accuracy and clinical usefulness of nuclear magnetic resonance (NMR) examination of the spine. The NMR images were compared with plain radiographs, high-resolution computed tomograms, and myelograms. The study included 15 patients with normal spinal cord anatomy and 25 patients whose pathological conditions included canal stenosis, herniated discs, metastatic tumors, primary cord tumor, trauma, Chiari malformations, syringomyelia, and developmental disorders. Saturation recovery images were best in differentiating between soft tissue and cerebrospinal fluid. NMR was excellent for the evaluation of the foramen magnum region and is presently the modality of choice for the diagnosis of syringomyelia and Chiari malformation. NMR was accurate in diagnosing spinal cord trauma and spinal canal block.

  20. (13)C and (19)F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles.

    Science.gov (United States)

    Szell, Patrick M J; Gabriel, Shaina A; Gill, Russell D D; Wan, Shirley Y H; Gabidullin, Bulat; Bryce, David L

    2017-03-01

    Halogen bonding is a noncovalent interaction between the electrophilic region of a halogen (σ-hole) and an electron donor. We report a crystallographic and structural analysis of halogen-bonded compounds by applying a combined X-ray diffraction (XRD) and solid-state nuclear magnetic resonance (SSNMR) approach. Single-crystal XRD was first used to characterize the halogen-bonded cocrystals formed between two fluorinated halogen-bond donors (1,4-diiodotetrafluorobenzene and 1,3,5-trifluoro-2,4,6-triiodobenzene) and several nitrogen-containing heterocycles (acridine, 1,10-phenanthroline, 2,3,5,6-tetramethylpyrazine, and hexamethylenetetramine). New structures are reported for the following three cocrystals, all in the P21/c space group: acridine-1,3,5-trifluoro-2,4,6-triiodobenzene (1/1), C6F3I3·C13H9N, 1,10-phenanthroline-1,3,5-trifluoro-2,4,6-triiodobenzene (1/1), C6F3I3·C12H8N2, and 2,3,5,6-tetramethylpyrazine-1,3,5-trifluoro-2,4,6-triiodobenzene (1/1), C6F3I3·C8H12N2. (13)C and (19)F solid-state magic-angle spinning (MAS) NMR is shown to be a convenient method to characterize the structural features of the halogen-bond donor and acceptor, with chemical shifts attributable to cocrystal formation observed in the spectra of both nuclides. Cross polarization (CP) from (19)F to (13)C results in improved spectral sensitivity in characterizing the perfluorinated halogen-bond donor when compared to conventional (1)H CP. Gauge-including projector-augmented wave density functional theory (GIPAW DFT) calculations of magnetic shielding constants, along with optimization of the XRD structures, provide a final set of structures in best agreement with the experimental (13)C and (19)F chemical shifts. Data for carbons bonded to iodine remain outliers due to well-known relativistic effects.

  1. (19)F MRSI of capecitabine in the liver at 7 T using broadband transmit-receive antennas and dual-band RF pulses.

    Science.gov (United States)

    van Gorp, Jetse S; Seevinck, Peter R; Andreychenko, Anna; Raaijmakers, Alexander J E; Luijten, Peter R; Viergever, Max A; Koopman, Miriam; Boer, Vincent O; Klomp, Dennis W J

    2015-11-01

    Capecitabine (Cap) is an often prescribed chemotherapeutic agent, successfully used to cure some patients from cancer or reduce tumor burden for palliative care. However, the efficacy of the drug is limited, it is not known in advance who will respond to the drug and it can come with severe toxicity. (19)F Magnetic Resonance Spectroscopy (MRS) and Magnetic Resonance Spectroscopic Imaging (MRSI) have been used to non-invasively study Cap metabolism in vivo to find a marker for personalized treatment. In vivo detection, however, is hampered by low concentrations and the use of radiofrequency (RF) surface coils limiting spatial coverage. In this work, the use of a 7T MR system with radiative multi-channel transmit-receive antennas was investigated with the aim of maximizing the sensitivity and spatial coverage of (19)F detection protocols. The antennas were broadband optimized to facilitate both the (1)H (298 MHz) and (19)F (280 MHz) frequencies for accurate shimming, imaging and signal combination. B1(+) simulations, phantom and noise measurements showed that more than 90% of the theoretical maximum sensitivity could be obtained when using B1(+) and B1(-) information provided at the (1)H frequency for the optimization of B1(+) and B1(-) at the (19)F frequency. Furthermore, to overcome the limits in maximum available RF power, whilst ensuring simultaneous excitation of all detectable conversion products of Cap, a dual-band RF pulse was designed and evaluated. Finally, (19)F MRS(I) measurements were performed to detect (19)F metabolites in vitro and in vivo. In two patients, at 10 h (patient 1) and 1 h (patient 2) after Cap intake, (19)F metabolites were detected in the liver and the surrounding organs, illustrating the potential of the set-up for in vivo detection of metabolic rates and drug distribution in the body.

  2. Through-space (19) F-(15) N couplings for the assignment of stereochemistry in flubenzimine.

    Science.gov (United States)

    Ghiviriga, Ion; Rubinski, Miles A; Dolbier, William R

    2016-07-01

    Through-space (19) F-(15) N couplings revealed the configuration of flubenzimine, with the CF3 group on N4 pointing towards the lone pair of N5. The (19) F-(15) N coupling constants were measured at natural abundance using a spin-state selective indirect-detection pulse sequence. As (15) N-labelled proteins are routinely synthesized for NMR studies, through-space (19) F-(15) N couplings have the potential to probe the stereochemistry of these proteins by (19) F labelling of some amino acids or can reveal the site of docking of fluorine-containing drugs. Copyright © 2016 John Wiley & Sons, Ltd.

  3. Sensitive Magnetic Control of Ensemble Nuclear Spin Hyperpolarisation in Diamond

    CERN Document Server

    Wang, Hai-Jing; Avalos, Claudia E; Seltzer, Scott J; Budker, Dmitry; Pines, Alexander; Bajaj, Vikram S

    2012-01-01

    Dynamic nuclear polarisation, which transfers the spin polarisation of electrons to nuclei, is routinely applied to enhance the sensitivity of nuclear magnetic resonance; it is also critical in spintronics, particularly when spin hyperpolarisation can be produced and controlled optically or electrically. Here we show the complete polarisation of nuclei located near the optically-polarised nitrogen-vacancy (NV) centre in diamond. When approaching the ground-state level anti-crossing condition of the NV electron spins, 13C nuclei in the first-shell are polarised in a pattern that depends sensitively and sharply upon the magnetic field. Based on the anisotropy of the hyperfine coupling and of the optical polarisation mechanism, we predict and observe a complete reversal of the nuclear spin polarisation with a few-mT change in the magnetic field. The demonstrated sensitive magnetic control of nuclear polarisation at room temperature will be useful for sensitivity-enhanced NMR, nuclear-based spintronics, and quant...

  4. Neutron Diffraction Studies of Nuclear Magnetic Ordering in Copper

    DEFF Research Database (Denmark)

    Jyrkkiö, T.A.; Huiku, M.T.; Siemensmeyer, K.;

    1989-01-01

    to depend strongly on the external magnetic field between zero and the critical fieldB c=0.25 mT, indicating the existence of at least two antiferromagnetic phases. The results are compared to previous measurements of the magnetic susceptibility. Theoretical calculations do not provide a full explanation......We have constructed a two-stage nuclear demagnetization cryostat for neutron diffraction studies of nuclear magnetism in copper. The cryostat is combined with a two-axis neutron spectrometer which can use both polarized and unpolarized neutrons. By demagnetizing highly polarized copper nuclear...

  5. Nuclear Composition of Magnetized GRB Jets

    CERN Document Server

    Shibata, Sanshiro

    2015-01-01

    We investigate the fraction of metal nuclei in the relativistic jets of gamma-ray bursts associated with core-collapse supernovae. We simulate the fallback in jet-induced explosions with two-dimensional relativistic hydrodynamics calculations and the jet acceleration with steady, radial, relativistic magnetohydrodynamics calculations, and derive detail nuclear composition of the jet by postprocessing calculation. We found that if the temperature at the jet launch site is above $4.7\\times 10^9$K, quasi-statistical equilibrium (QSE) is established and heavy nuclei are dissociated to light particles such as $^4$He during the acceleration of the jets. The criterion for the survival of metal nuclei is written in terms of the isotropic jet luminosity as $L_{\\rm j}^{\\rm iso} \\lesssim 3.9\\times 10^{50}(R_{\\rm i}/10^7{\\rm cm})^2 (1+\\sigma_{\\rm i})~{\\rm erg~s^{-1}}$, where $R_{\\rm i}$ and $\\sigma_{\\rm i}$ are the initial radius of the jets and the initial magnetization parameter, respectively. If the jet is initially d...

  6. NUCLEAR MAGNETIC RESONANCE STUDIES OF URANOCENES

    Energy Technology Data Exchange (ETDEWEB)

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

    1979-12-01

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

  7. Quantitative 19F MR spectroscopy at 3 T to detect heterogeneous capecitabine metabolism in human liver.

    NARCIS (Netherlands)

    Klomp, D.W.J.; Laarhoven, H.W.M. van; Scheenen, T.W.J.; Kamm, Y.J.L.; Heerschap, A.

    2007-01-01

    Chemotherapy in non-responding cancer patients leads to unnecessary toxicity. A marker is therefore required that can predict the sensitivity of a specific tumour to chemotherapy, which would enable individualisation of therapy. 19F MR spectroscopy (19F MRS) can be used to monitor the metabolism of

  8. Nuclear magnetic resonance data of C9H11ITe

    Science.gov (United States)

    Mikhova, B. M.

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

  9. Nuclear magnetic resonance data of C10H13ITe

    Science.gov (United States)

    Mikhova, B. M.

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

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

    Institute of Scientific and Technical Information of China (English)

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

    2000-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Toru Tomimatsu

    2015-08-01

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

  12. Dynamic nuclear polarization and nuclear magnetic resonance in the simplest pseudospin quantum Hall ferromagnet

    Science.gov (United States)

    Liu, H. W.; Yang, K. F.; Mishima, T. D.; Santos, M. B.; Hirayama, Y.

    2010-12-01

    We present dynamic nuclear polarization (DNP) in the simplest pseudospin quantum Hall ferromagnet (QHF) of an InSb two-dimensional electron gas with a large g factor using tilted magnetic fields. The DNP-induced amplitude change in a resistance spike of the QHF at large current enables observation of the resistively detected nuclear magnetic resonance of the high nuclear spin isotope I115n with nine quadrupole splittings. Our results demonstrate the importance of domain structures in the DNP process. The nuclear spin relaxation time T1 in this QHF was relatively short (˜120s) and almost temperature independent.

  13. Nuclear magnetization in gallium arsenide quantum dots at zero magnetic field.

    Science.gov (United States)

    Sallen, G; Kunz, S; Amand, T; Bouet, L; Kuroda, T; Mano, T; Paget, D; Krebs, O; Marie, X; Sakoda, K; Urbaszek, B

    2014-01-01

    Optical and electrical control of the nuclear spin system allows enhancing the sensitivity of NMR applications and spin-based information storage and processing. Dynamic nuclear polarization in semiconductors is commonly achieved in the presence of a stabilizing external magnetic field. Here we report efficient optical pumping of nuclear spins at zero magnetic field in strain-free GaAs quantum dots. The strong interaction of a single, optically injected electron spin with the nuclear spins acts as a stabilizing, effective magnetic field (Knight field) on the nuclei. We optically tune the Knight field amplitude and direction. In combination with a small transverse magnetic field, we are able to control the longitudinal and transverse components of the nuclear spin polarization in the absence of lattice strain--that is, in dots with strongly reduced static nuclear quadrupole effects, as reproduced by our model calculations.

  14. Nuclear magnetization in gallium arsenide quantum dots at zero magnetic field

    Science.gov (United States)

    Sallen, G.; Kunz, S.; Amand, T.; Bouet, L.; Kuroda, T.; Mano, T.; Paget, D.; Krebs, O.; Marie, X.; Sakoda, K.; Urbaszek, B.

    2014-02-01

    Optical and electrical control of the nuclear spin system allows enhancing the sensitivity of NMR applications and spin-based information storage and processing. Dynamic nuclear polarization in semiconductors is commonly achieved in the presence of a stabilizing external magnetic field. Here we report efficient optical pumping of nuclear spins at zero magnetic field in strain-free GaAs quantum dots. The strong interaction of a single, optically injected electron spin with the nuclear spins acts as a stabilizing, effective magnetic field (Knight field) on the nuclei. We optically tune the Knight field amplitude and direction. In combination with a small transverse magnetic field, we are able to control the longitudinal and transverse components of the nuclear spin polarization in the absence of lattice strain—that is, in dots with strongly reduced static nuclear quadrupole effects, as reproduced by our model calculations.

  15. Pulse Design in Solid-State Nuclear Magnetic Resonance

    DEFF Research Database (Denmark)

    Palani, Ravi Shankar

    2017-01-01

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

  16. Nuclear magnetic resonance in environmental engineering: principles and applications.

    NARCIS (Netherlands)

    Lens, P.N.L.; Hemminga, M.A.

    1998-01-01

    This paper gives an introduction to nuclear magnetic resonance spectroscopy (NMR) and magnetic resonance imaging (MRI) in relation to applications in the field of environmental science and engineering. The underlying principles of high resolution solution and solid state NMR, relaxation time measure

  17. Electron transport through nuclear pasta in magnetized neutron stars

    CERN Document Server

    Yakovlev, D G

    2015-01-01

    We present a simple model for electron transport in a possible layer of exotic nuclear clusters (in the so called nuclear pasta layer) between the crust and liquid core of a strongly magnetized neutron star. The electron transport there can be strongly anisotropic and gyrotropic. The anisotropy is produced by different electron effective collision frequencies along and across local symmetry axis in domains of exotic ordered nuclear clusters and by complicated effects of the magnetic field. We also calculate averaged kinetic coefficients in case local domains are freely oriented. Possible applications of the obtained results and open problems are outlined.

  18. Parahydrogen enhanced zero-field nuclear magnetic resonance

    OpenAIRE

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

    2011-01-01

    Nuclear magnetic resonance (NMR), conventionally detected in multi-tesla magnetic fields, is a powerful analytical tool for the determination of molecular identity, structure, and function. With the advent of prepolarization methods and alternative detection schemes using atomic magnetometers or superconducting quantum interference devices (SQUIDs), NMR in very low- (~earth's field), and even zero-field, has recently attracted considerable attention. Despite the use of SQUIDs or atomic magnet...

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

    Science.gov (United States)

    King, Roy W.; Williams, Kathryn R.

    1989-01-01

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

  20. T-maze performance after developmental exposure to 19F tagged 5-HTP in chicks.

    Science.gov (United States)

    Dingman, Sherry; Nash, Laurie; Hogan, Jeremy; Branch, Craig

    2004-12-01

    Chicks were used as a model to investigate behavioral effects of administering a new compound intended for use with magnetic resonance. The compound has multiple 19F atom tags covalently bonded to the indole ring of 5-hydroxytryptophan (PF-5HTP), the immediate precursor to the neurotransmitter serotonin. On incubation Day 17, 5 microg of PF-5-HTP, an equivalent amount of 5-HTP, or just 200 microL of the weak phosphate buffered saline (PBS) vehicle was injected into the airsac of each egg. Three days after hatching, chicks were isolated at the top of a simple T-Maze which, when traversed correctly, enabled them to return to their brood mates. A second trial in the T-Maze was conducted about three hours later. The brief period of isolation at the start of a trial causes social distress in chicks who are reinforced by returning to the brood. The task was selected as being sensitive to functioning of the serotonin pathways whose development might be altered by administering the compound during brain development. Repeated-measures analysis of variance yielded a statistically significant main effect for trial within groups, but no significant difference between injection groups. Administering a low dose of the fluorine tagged compound during development did not impair performance on this T-maze task.

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

    Science.gov (United States)

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

    2011-03-01

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

  2. Magnet Design Considerations for Fusion Nuclear Science Facility

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Y. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Kessel, C. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); El-Guebaly, L. [Univ. of Wisconsin, Madison, WI (United States) Fusion Technology Institute; Titus, P. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)

    2016-06-01

    The Fusion Nuclear Science Facility (FNSF) is a nuclear confinement facility that provides a fusion environment with components of the reactor integrated together to bridge the technical gaps of burning plasma and nuclear science between the International Thermonuclear Experimental Reactor (ITER) and the demonstration power plant (DEMO). Compared with ITER, the FNSF is smaller in size but generates much higher magnetic field, i.e., 30 times higher neutron fluence with three orders of magnitude longer plasma operation at higher operating temperatures for structures surrounding the plasma. Input parameters to the magnet design from system code analysis include magnetic field of 7.5 T at the plasma center with a plasma major radius of 4.8 m and a minor radius of 1.2 m and a peak field of 15.5 T on the toroidal field (TF) coils for the FNSF. Both low-temperature superconductors (LTS) and high-temperature superconductors (HTS) are considered for the FNSF magnet design based on the state-of-the-art fusion magnet technology. The higher magnetic field can be achieved by using the high-performance ternary restacked-rod process Nb3Sn strands for TF magnets. The circular cable-in-conduit conductor (CICC) design similar to ITER magnets and a high-aspect-ratio rectangular CICC design are evaluated for FNSF magnets, but low-activation-jacket materials may need to be selected. The conductor design concept and TF coil winding pack composition and dimension based on the horizontal maintenance schemes are discussed. Neutron radiation limits for the LTS and HTS superconductors and electrical insulation materials are also reviewed based on the available materials previously tested. The material radiation limits for FNSF magnets are defined as part of the conceptual design studies for FNSF magnets.

  3. A comparison of chemical shift sensitivity of trifluoromethyl tags: optimizing resolution in {sup 19}F NMR studies of proteins

    Energy Technology Data Exchange (ETDEWEB)

    Ye, Libin; Larda, Sacha Thierry; Frank Li, Yi Feng [University of Toronto, UTM, Department of Chemistry (Canada); Manglik, Aashish [Stanford University School of Medicine, Department of Molecular and Cellular Physiology (United States); Prosser, R. Scott, E-mail: scott.prosser@utoronto.ca [University of Toronto, UTM, Department of Chemistry (Canada)

    2015-05-15

    The elucidation of distinct protein conformers or states by fluorine ({sup 19}F) NMR requires fluorinated moieties whose chemical shifts are most sensitive to subtle changes in the local dielectric and magnetic shielding environment. In this study we evaluate the effective chemical shift dispersion of a number of thiol-reactive trifluoromethyl probes [i.e. 2-bromo-N-(4-(trifluoromethyl)phenyl)acetamide (BTFMA), N-(4-bromo-3-(trifluoromethyl)phenyl)acetamide (3-BTFMA), 3-bromo-1,1,1-trifluoropropan-2-ol (BTFP), 1-bromo-3,3,4,4,4-pentafluorobutan-2-one (BPFB), 3-bromo-1,1,1-trifluoropropan-2-one (BTFA), and 2,2,2-trifluoroethyl-1-thiol (TFET)] under conditions of varying polarity. In considering the sensitivity of the {sup 19}F NMR chemical shift to the local environment, a series of methanol/water mixtures were prepared, ranging from relatively non-polar (MeOH:H{sub 2}O = 4) to polar (MeOH:H{sub 2}O = 0.25). {sup 19}F NMR spectra of the tripeptide, glutathione ((2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl] -2-sulfanylethyl]carbamoyl}butanoic acid), conjugated to each of the above trifluoromethyl probes, revealed that the BTFMA tag exhibited a significantly greater range of chemical shift as a function of solvent polarity than did either BTFA or TFET. DFT calculations using the B3LYP hybrid functional and the 6-31G(d,p) basis set, confirmed the observed trend in chemical shift dispersion with solvent polarity.

  4. Nuclear magnetic resonance in environmental engineering: principles and applications.

    Science.gov (United States)

    Lens, P N; Hemminga, M A

    1998-01-01

    This paper gives an introduction to nuclear magnetic resonance spectroscopy (NMR) and magnetic resonance imaging (MRI) in relation to applications in the field of environmental science and engineering. The underlying principles of high resolution solution and solid state NMR, relaxation time measurements and imaging are presented. Then, the use of NMR is illustrated and reviewed in studies of biodegradation and biotransformation of soluble and solid organic matter, removal of nutrients and xenobiotics, fate of heavy metal ions, and transport processes in bioreactor systems.

  5. Dot Blot para determinar la identidad antigénica en vacunas conjugadas contra Streptococcus pneumoniae serotipo 19F

    Directory of Open Access Journals (Sweden)

    Osmir Cabrera-Blanco

    2017-04-01

    Full Text Available Las autoridades regulatorias recomiendan el uso de técnicas de Resonancia Magnética Nuclear o técnicas serológicas para la determinación de la identidad de los antígenos presentes en las vacunas conjugadas. Con la aparición de las vacunas conjugadas multivalentes, se ha hecho necesario recurrir a técnicas inmunoquímicas con la utilización de anticuerpos monoclonales para aumentar la sensibilidad en la determinación de la identidad de los antígenos en dichas vacunas conjugadas. El objetivo del presente trabajo fue establecer las condiciones óptimas de trabajo que permitieran utilizar la técnica del Dot Blot para determinar la identidad de los antígenos en vacunas conjugadas de Streptococcus pneumoniae serotipo 19F. Para ello se estudiaron los tiempos de incubación, la influencia del reactivo en la solución de bloqueo; también las concentraciones óptimas del anticuerpo monoclonal y de los ingredientes farmacéuticos activos, así como los volúmenes de aplicación óptimos para estos y vacunas. Se utilizó un anticuerpo monoclonal contra el polisacárido capsular del serotipo 19F de neumococo. Las muestras empleadas en este trabajo fueron lotes de ingredientes farmacéuticos activos de conjugados de polisacárido capsular 19F y lotes de un candidato vacunal cubano conjugado heptavalente contra neumococos. Los resultados mostraron que para la determinación de la identidad antigénica fueron suficientes 10 µL de muestras de los principios activos a una concentración de 125 µg/mL e igual volumen para las vacunas heptavalentes. Quedó demostrado que una concentración de 1 µg/mL para el anticuerpo monoclonal y tiempos de incubación de 30 min a 37 °C fueron suficientes para la determinación. Estos resultados permiten concluir que quedaron establecidas las condiciones óptimas de trabajo para determinar la identidad antigénica por Dot Blot del polisacárido capsular de S. pneumoniae serotipo 19F presente en las vacunas

  6. Evaluation of nuclear magnetic resonance spectroscopy variability

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-11-01

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

  7. Self-Assembly of Peptide Amphiphiles Designed as Imaging Probes for 19F and Relaxation-Enhanced 1H imaging

    Science.gov (United States)

    Preslar, Adam Truett

    This work incorporates whole-body imaging functionality into peptide amphiphile (PA) nanostructures used for regenerative medicine to facilitate magnetic resonance imaging (MRI). Two strategies were employed: 1. Conjugation of gadolinium chelates to peptide nanostructures to monitor biomaterial degradation in vivo with MRI and inductively-coupled plasma-mass spectroscopy (ICP-MS) 2. Synthesis of perfluorinated moiety-bearing peptide amphiphiles for 19F-MRI. The Gd(III) chelate gadoteridol was conjugated by copper-catalyzed "click" chemistry to a series of PAs known to form cylindrical nanostructures. By fitting nuclear magnetic resonance dispersion (NMRD) profiles to the Solomon-Bloembergen-Morgan (SBM) equations, it was observed that the water exchange parameter (tauM) depended on thermal annealing or calcium ion cross-linking. The sequence C16V 3A3E3G(Gd) exhibited an acceleration of nearly 100 ns after thermal annealing and calcium addition. These gadolinium-labeled PAs were used to track in vivo degradation of gels within the tibialis anterior muscle in a murine model. The half-life of biomaterial degradation was determined to be 13.5 days by inductively coupled plasma mass spectrometry (ICP-MS) of Gd(III). Gel implants could be monitored by MRI for eight days before the signal dispersed due to implant degradation and dilution. Additionally, nanostructures incorporating highly fluorinated domains were investigated for use as MRI contrast agents. Short, perfluoroalkyane tails of seven or eight carbon atoms in length were grafted to PA sequences containing a V2A2 beta-sheet forming sequence. The V2A2 sequence is known to drive 1D nanostructure assembly. It was found that the sequences C7F13V2A 2E2 and C7F13V2A 2K3 formed 1D assemblies in water which transition from ribbon-like to cylindrical shape as pH increases from 4.5 to 8.0. Ribbon-like nanostructures had reduced magnetic resonance signal by T 2 relaxation quenching, whereas their cylindrical counterparts

  8. Characterization via nuclear magnetic resonance of Portland cement and related materials

    Science.gov (United States)

    Edwards, Christopher Lane

    The physicochemical and engineering performance properties of several API class G and H ordinary Portland cements (OPCs) from various foreign and domestic sources have been investigated. The engineering performance properties are found to vary from sample to sample, and sources for this variation were sought out and identified. Magic angle spinning (MAS) 29Si nuclear magnetic resonance (NMR) experiments were marked by unusual relaxation behavior due to paramagnetism inherent in OPCs. A model system was created to mimic the paramagnetism of the cements and the system's relaxation behavior was analyzed. The iron in the calcium aluminoferrite (C4AF) provides the paramagnetism sufficient to substantially increase the relaxation rates of the 29Si in the tricalcium silicate (C3S) and dicalcium silicate (C2S) of cement. Several relaxation techniques were evaluated for analyzing cement relaxation, and saturation recovery was identified as the preferred technique. Correlations of data from the saturation recovery experiments with engineering performance properties, especially the strength development of cement pastes, were obtained facilely. An error analysis of the NMR and engineering performance testing techniques was conducted, which indicated that NMR measurements produced less error than the engineering performance tests. A best practice, modified from the saturation recovery experiment, is proposed for use in property correlations. Additionally, 13C MAS NMR was used to characterize various fluorinated single-walled carbon nanotubes (F-SWNTs), which proved surprisingly effective in attenuating 13C-19F dipolar interactions and quantifying the extent of functionalization present at high degrees of reaction. The mixed-metal nanocluster known as FeMoC was also characterized by MAS NMR. The impact of the paramagnetic Fe3+ in the Keplerate cage on the 31P nuclei in the caged Keggin ion of FeMoC was evident in the greatly reduced relaxation times measured.

  9. Experimental investigation of the 19F( n, α)16N reaction excitation function in the neutron energy range of 4 to 7.35 MeV

    Science.gov (United States)

    Bondarenko, I. P.; Khryachkov, V. A.; Ivanova, T. A.; Kuz'minov, B. D.; Semenova, N. N.; Sergachev, A. I.

    2013-07-01

    The interaction of neutrons with light nuclei study is of interest for understanding nuclear-reaction mechanisms. Fluorine nuclei are worth particular attention because they are abundant in the core of the promising molten-salt reactors and can noticeably affect the chain reaction kinetics. In this work we have experimentally investigated the 19F( n, α)16N reaction cross-section at neutron energies ranging from 4 to 7.35 MeV.

  10. High Radiation Environment Nuclear Fragment Separator Magnet

    Energy Technology Data Exchange (ETDEWEB)

    Kahn, Stephen [Muons, Inc., Batavia, IL (United States); Gupta, Ramesh [Brookhaven National Lab. (BNL), Upton, NY (United States)

    2016-01-31

    Superconducting coils wound with HTS conductor can be used in magnets located in a high radiation environment. NbTi and Nb3Sn superconductors must operate at 4.5 K or below where removal of heat is less efficient. The HTS conductor can carry significant current at higher temperatures where the Carnot efficiency is significantly more favorable and where the coolant heat capacity is much larger. Using the HTS conductor the magnet can be operated at 40 K. This project examines the use of HTS conductor for the Michigan State University Facility For Rare Isotope Beams (FRIB) fragment separator dipole magnet which bends the beam by 30° and is located in a high radiation region that will not be easily accessible. Two of these magnets are needed to select the chosen isotope. There are a number of technical challenges to be addressed in the design of this magnet. The separator dipole is 2 m long and subtends a large angle. The magnet should keep a constant transverse field profile along its beam reference path. Winding coils with a curved inner segment is difficult as the conductor will tend to unwind during the process. In the Phase I project two approaches to winding the conductor were examined. The first was to wind the coils with curved sections on the inner and outer segments with the inner segment wound with negative curvature. The alternate approach was to use a straight segment on the inner segment to avoid negative curvature. In Phase I coils with a limited number of turns were successfully wound and tested at 77 K for both coil configurations. The Phase II program concentrated on the design, coil winding procedures, structural analysis, prototyping and testing of an HTS curved dipole coil at 40 K with a heat load representative of the radiation environment. One of the key criteria of the design of this magnet is to avoid the use of organic materials that would degrade rapidly in radiation. The Lorentz forces expected from the coils interacting with the

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-04-01

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

  12. Zero-Field Nuclear Magnetic Resonance

    OpenAIRE

    Weitekamp, D.P.; Bielecki, A.; Zax, D.; Zilm, K.; Pines, A.

    1983-01-01

    In polycrystalline samples, NMR "powder spectra" are broad and much structural information is lost as a result of the orientational disorder. In this Letter Fourier-transform NMR in zero magnetic field is described. With no preferred direction in space, all crystallites contribute equivalently and resolved dipolar splittings can be interpreted directly in terms of internuclear distances. This opens the possiblity of molecular structure determination without the need for single crystals or ori...

  13. Zero-field nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Weitekamp, D.P.; Bielecki, A.; Zax, D.; Zilm, K.; Pines, A.

    1983-05-30

    In polycrystalline samples, NMR ''powder spectra'' are broad and much structural information is lost as a result of the orientational disorder. In this Letter Fourier transform NMR in zero magnetic field is described. With no preferred direction in space, all crystallites contribute equivalently and resolved dipolar splittings can be interpreted directly in terms of internuclear distances. This opens the possibility of molecular structure determination without the need for single crystals or oriented samples.

  14. Realization of a Quantum Scheduling Algorithm Using Nuclear Magnetic Resonance

    Institute of Scientific and Technical Information of China (English)

    ZHANG Jing-Fu; DENG Zhi-Wei; PAN Yan-Na; LU Zhi-Heng

    2004-01-01

    The quantum scheduling algorithm proposed by Grover is generalized to extend its scope of applications. The generalized algorithm proposed here is realized on a nuclear magnetic resonance quantum computer. The experimental results show that the generalized algorithm can work efficiently in the case that Grover's scheduling algorithm is completely invalid, and represent the quantum advantages when qubits replace classical bits.

  15. Nuclear magnetic resonance imaging of water motion in plants

    NARCIS (Netherlands)

    Scheenen, T.W.J.

    2001-01-01

    This Thesis treats one of the new techniques in plant science i.e. nuclear magnetic resonance imaging (NMRi) applied to water motion in plants. It is a challenge, however, to measure this motion in intact plants quantitatively, because plants impose specific problems when studied using

  16. NMR of TMV. Nuclear magnetic resonance of tobacco mosaic virus

    NARCIS (Netherlands)

    Wit, de J.L.

    1978-01-01

    This Thesis describes the application of conventional 13 C and 1 H high resolution Fourier Transform Nuclear Magnetic resonance (HR FT NMR) to Tobacco Mosaic Virus (TMV) and its protein oligo- and polymers and some other largebiological systems. The rod-like (TMV) consists of 2

  17. Neutron studies of nuclear magnetism at ultralow temperature

    DEFF Research Database (Denmark)

    Siemensmeyer, K.; Clausen, K.N.; Lefmann, K.

    1998-01-01

    Nuclear magnetic order in copper and silver has been investigated by neutron diffraction. Antiferromagnetic order is observed in these simple, diamagnetic metals at temperatures below 50 nK and 560 pK, respectively. Both crystallize in the FCC-symmetry which is fully frustrated for nearest...

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

    Science.gov (United States)

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

    2006-01-01

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

  19. Nuclear magnetic response imaging of sap flow in plants

    NARCIS (Netherlands)

    Windt, C.W.

    2007-01-01

    This thesis deals with Nuclear Magnetic Resonance (NMR) imaging of long distance transport in plants. Long distance transport in plants is an enigmatic process. The theoretical framework that describes its basic properties has been in place for almost a century, yet at the same time only little is

  20. Nuclear magnetic resonance imaging of water motion in plants

    NARCIS (Netherlands)

    Scheenen, T.W.J.

    2001-01-01

    This Thesis treats one of the new techniques in plant science i.e. nuclear magnetic resonance imaging (NMRi) applied to water motion in plants. It is a challenge, however, to measure this motion in intact plants quantitatively, because plants impose specific problems when studied using NMRi. At high

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

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2011-07-01

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

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

    Science.gov (United States)

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

    2013-07-01

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

  3. Calculation of vibrational branching ratios and hyperfine structure of 24Mg19F and its suitability for laser cooling and magneto-optical trapping

    Science.gov (United States)

    Xu, Liang; Yin, Yanning; Wei, Bin; Xia, Yong; Yin, Jianping

    2016-01-01

    More recently, laser cooling of the diatomic radical magnesium monofluoride (24Mg19F ) is being experimentally preformed [Appl. Phys. Express 8, 092701 (2015), 10.7567/APEX.8.092701 and Opt. Express 22, 28645 (2014), 10.1364/OE.22.028645] and was also studied theoretically [Phys. Rev. A 91, 042511 (2015), 10.1103/PhysRevA.91.042511]. However, some important problems still remain unsolved, so, in our paper, we perform further theoretical study for the feasibility of laser cooling and trapping the 24Mg19F molecule. At first, the highly diagonal Franck-Condon factors of the main transitions are verified by the closed-form approximation, Morse approximation, and Rydberg-Klein-Rees inversion methods, respectively. Afterwards, we investigate the lower X 2Σ1/2 + hyperfine manifolds using a quantum effective Hamiltonian approach and obtain the zero-field hyperfine spectrum with an accuracy of less than 30 kHz ˜5 μ K compared with the experimental results, and then find out that one cooling beam and one or two repumping beams with their first-order sidebands are enough to implement an efficient laser slowing and cooling of 24Mg19F . Meanwhile, we also calculate the accurate hyperfine structure magnetic g factors of the rotational state (X 2Σ1/2 +,N =1 ) and briefly discuss the influence of the external fields on the hyperfine structure of 24Mg19F as well as its possibility of preparing three-dimensional magneto-optical trapping. Finally we give an explanation for the difference between the Stark and Zeeman effects from the perspective of parity and time reversal symmetry. Our study shows that, besides appropriate excitation wavelengths, the short lifetime for the first excited state A 2Π1 /2 , and lighter mass, the 24Mg19F radical could be a good candidate molecule amenable to laser cooling and magneto-optical trapping.

  4. Unconventional nuclear magnetic resonance techniques using nanostructured diamond surfaces

    Science.gov (United States)

    Acosta, Victor; Jarmola, Andrey; Budker, Dmitry; Santori, Charles; Huang, Zhihong; Beausoleil, Raymond

    2014-03-01

    Nuclear magnetic resonance (NMR) technologies rely on obtaining high nuclear magnetization, motivating low operating temperatures and high magnetic fields. Dynamic nuclear polarization (DNP) techniques traditionally require another superconducting magnet and THz optics. We seek to use chip-scale devices to polarize nuclei in liquids at room temperature. The technique relies on optical pumping of nitrogen-vacancy (NV) centers and subsequent transfer of polarization to nuclei via hyperfine interaction, spin diffusion, and heteronuclear polarization transfer. We expect efficient polarization transfer will be realized by maximizing the diamond surface area. We have fabricated densely-packed (50 % packing fraction), high-aspect-ratio (10+) nanopillars over mm2 regions of the diamond surface. Pillars designed to have a few-hundred-nanometer diameter act as optical antennas, reducing saturation intensity. We also report progress in using nanopillar arrays as sensitive optical detectors of nano-scale NMR by measuring NV center Zeeman shifts produced by nearby external nuclei. The enhanced surface area increases the effective density of NV centers which couple to external nuclei. Combining these techniques may enable, e.g., identification of trace analytes and molecular imaging.

  5. Multinuclear solid state nuclear magnetic resonance investigation of water penetration in proton exchange membrane Nafion-117 by mechanical spinning.

    Science.gov (United States)

    Sabarinathan, Venkatachalam; Wu, Zhen; Cheng, Ren-Hao; Ding, Shangwu

    2013-05-30

    (1)H, (17)O, and (19)F solid state NMR spectroscopies have been used to investigate water penetration in Nafion-117 under mechanical spinning. It is found that both (1)H and (17)O spectra depend on the orientation of the membrane with respect to the magnetic field. The intensities of the side chain (19)F spectra depend slightly on the orientation of membrane with respect to the magnetic field, but the backbone (19)F spectra do not exhibit orientation dependence. By analyzing the orientation dependent (1)H and (17)O spectra and time-resolved (1)H spectra, we show that the water loaded in Nafion-117, under high spinning speed, may penetrate into regions that are normally inaccessible by water. Water penetration is enhanced as the spinning speed is increased or the spinning time is increased. In the meantime, mechanical spinning accelerates water exchange. It is also found that water penetration by mechanical spinning is persistent; i.e., after spinning, water remains in those newly found regions. While water penetration changes the pores and channels in Nafion, (19)F spectra indicate that the chemical environments of the polymer backbone do not show change. These results provide new insights about the structure and dynamics of Nafion-117 and related materials. They are relevant to proton exchange membrane aging and offer enlightening points of view on antiaging and modification of this material for better proton conductivity. It is also interesting to view this phenomenon in the perspective of forced nanofiltration.

  6. AGB nucleosynthesis: The 19F(α, p)22Ne reaction at astrophysical energies

    Science.gov (United States)

    D'Agata, G.; Pizzone, R. G.; Spitaleri, C.; Blagus, S.; Figuera, P.; Grassi, L.; Guardo, G. L.; Gulino, M.; Hayakawa, S.; Indelicato, I.; Kshetri, R.; La Cognata, M.; Lamia, L.; Lattuada, M.; Mijatović, T.; Milin, M.; Miljanic, D.; Prepolec, L.; Sergi, M. L.; Skukan, N.; Soic, N.; Tokic, V.; Tumino, A.; Uroic, M.

    2017-06-01

    Learning how 19F is produced and destructed in AGB-stars is crucial. Fluorine abundance is in fact important, given that it is strongly tied to standard and extra-mixing processes taking place in AGB-stars. This kind of objects are considered to be the main sources of fluorine in galactic environment, in which experimental abundances are far overestimated. For this reason the reaction 19F(α, p)22Ne, that represents the main destruction channel in He-rich environment, was studied at energies corresponding to T˜2.108 K. Such reaction has been studied with direct method at Ebeam = 1100 keV for alpha particles impinging on a fluorine target, corresponding to EC.M. ˜ 900 keV, still far from the Gamow window, placed at 390÷800 keV, below the Coulomb barrier (3.81 MeV). An experiment was performed at Rujer Boskovic Institut (Zagreb), applying the Trojan Horse Method. With this experimental procedure we were able to select the quasi-free contribution coming from 6Li(19F,p 22Ne)2H at Ebeam = 6 MeV at kinematically useful angles. We measured the 19F(α, p)22Ne at 0 MeV ≤ EC.M ≤ 0.9 MeV, extracting the two body cross-section in absolute units at energies of astrophysical interest.

  7. PLGA-encapsulated perfluorocarbon nanoparticles for simultaneous visualization of distinct cell populations by (19)F MRI

    NARCIS (Netherlands)

    Srinivas, M.; Tel, J.; Schreibelt, G.; Bonetto, F.J.; Cruz, L.J.; Amiri, H.; Heerschap, A.; Figdor, C.G.; Vries, I.J.M. de

    2015-01-01

    AIM: In vivo imaging using (19)F MRI is advantageous, due to its ability to quantify cell numbers, but is limited for a lack of suitable labels. Here, we formulate two stable and clinically applicable labels for tracking two populations of primary human dendritic cells (DCs) simultaneously. MATERIAL

  8. A 19F NMR study of C-I....pi- halogen bonding

    DEFF Research Database (Denmark)

    Hauchecorne, Dieter; vand er Veken, Benjamin J.; Herrebout, Wouter A.

    2011-01-01

    The formation of halogen bonded complexes between toluene-d8 and the perfluoroiodopropanes 1-C3F7I and 2-C3F7I has been investigated using 19F NMR spectroscopy. For both Lewis acids, evidence was found for the formation of a C–I⋯π halogen bonded complex. The complex formed is a 1:1 type. Using...

  9. Ab Initio Calculation of 19F NMR Chemical Shielding for Alkaline-earth-metal Fluorides

    Institute of Scientific and Technical Information of China (English)

    CAI,Shu-Hui(蔡淑惠); CHEN,Zhong,(陈忠); LU,Xin(吕鑫); CHEN,Zhi-Wei(陈志伟); WAN,Hui-Lin(万惠霖)

    2001-01-01

    Gauge-independent atomic orbital (GIAO) method atHartree-Fock (HF) and density functional theory (DFr) lev-els,respectively,was employed to calculate 19F NMR chemi-cal shieldings of solid state alkaline-earth-metal fluorides MF2 (M = Mg,Ca,Sr,Ba).The results show that,although thecalculated19F chemical shieldings tend to be larger than the experinental values,they have a fairly good linear relation-ship with the observed ones.The calculated results based on different combinations of basis sets show that the B3LYP (ahybrid of DFT with HF) predictions are greatly superior tothe I-IF predictions.When a basis set of metal atom with ef- fecfive core potential (ECP) has well representation of valencewavefunction,especially wavefuncfion of d component,andproper definition of core electron nmnher,it can be applied toobtain 19F chemical shielding which is dose to that of all-elec-tron calculation.Tne variation of 19F chemical shielding of al-kaline-earth-metal fluorides correlates well with the latticefactor A/R2.``

  10. Glycosylation intermediates studied using low temperature 1H- and 19F-DOSY NMR

    DEFF Research Database (Denmark)

    Qiao, Yan; Ge, Wenzhi; Jia, Lingyu

    2016-01-01

    Low temperature 1H- and 19F-DOSY have been used for analyzing reactive intermediates in glycosylation reactions, where a glycosyl trichloroacetimidate donor has been activated using different catalysts. The DOSY protocols have been optimized for low temperature experiments and provided new insight...

  11. Nuclear magnetic and quadrupole resonance studies of the stripes materials

    Energy Technology Data Exchange (ETDEWEB)

    Grafe, H.-J., E-mail: h.grafe@ifw-dresden.de [IFW Dresden, Institute for Solid State Research, P.O. Box 270116, D-01171 Dresden (Germany)

    2012-11-01

    Nuclear Magnetic and Quadrupole Resonance (NMR/NQR) is a powerful tool to probe electronic inhomogeneities in correlated electron systems. Its local character allows for probing different environments due to spin density modulations or inhomogeneous doping distributions emerging from the correlations in these systems. In fact, NMR/NQR is not only sensitive to magnetic properties through interaction of the nuclear spin, but also allows to probe the symmetry of the charge distribution and its homogeneity, as well as structural modulations, through sensitivity to the electric field gradient (EFG). We review the results of NMR and NQR in the cuprates from intrinsic spatial variations of the hole concentration in the normal state to stripe order at low temperatures, thereby keeping in mind the influence of doping induced disorder and inhomogeneities. Finally, we briefly discuss NQR evidence for local electronic inhomogeneities in the recently discovered iron pnictides, suggesting that electronic inhomogeneities are a common feature of correlated electron systems.

  12. Observation of nuclear magnetic order in solid 3He

    DEFF Research Database (Denmark)

    Halperin, W.P.; Archie, C.N.; Rasmussen, Finn Berg

    1974-01-01

    Measurements of T dp/dT have been made along the He3 melting curve near an anomaly at Ts=1.17 mK. It is found that the solid-He3 entropy decreases by 80% in an interval of 100 μK at Ts. This is attributed to onset of nuclear magnetic order.......Measurements of T dp/dT have been made along the He3 melting curve near an anomaly at Ts=1.17 mK. It is found that the solid-He3 entropy decreases by 80% in an interval of 100 μK at Ts. This is attributed to onset of nuclear magnetic order....

  13. Advances in Zero-Field Nuclear Magnetic Resonance Spectroscopy

    OpenAIRE

    Theis, Thomas

    2012-01-01

    In the course of the last century, Nuclear magnetic resonance (NMR) has become a powerful and ubiquitous analytical tool for the determination of molecular identity, structure, and function. Traditionally, the great analytical power of NMR comes at the cost of mobility and large expenses for cryogenic cooling. This thesis presents how zero-field NMR detected with an atomic magnetometer is emerging as a new, potentially portable and cost-effective modality of NMR with the ability of providing ...

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

    OpenAIRE

    Hossein Pourmodheji; Ebrahim Ghafar-Zadeh; Sebastian Magierowski

    2016-01-01

    Nuclear Magnetic Resonance (NMR) is a non-contact, powerful structure-elucidation technique for biochemical analysis. NMR spectroscopy is used extensively in a variety of life science applications including drug discovery. However, existing NMR technology is limited in that it cannot run a large number of experiments simultaneously in one unit. Recent advances in micro-fabrication technologies have attracted the attention of researchers to overcome these limitations and significantly accelera...

  15. Demonstration of Quantum Entanglement Control Using Nuclear Magnetic Resonance

    Institute of Scientific and Technical Information of China (English)

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

    2004-01-01

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

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

    Science.gov (United States)

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

    2016-05-01

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

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

    Directory of Open Access Journals (Sweden)

    Mahmoud Rasly

    2016-05-01

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

  18. Nuclear Magnetic Resonance Imaging of Li-ion Battery

    Directory of Open Access Journals (Sweden)

    D. Ohno

    2010-12-01

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

  19. Quantitative velocity distributions via nuclear magnetic resonance flow metering

    Science.gov (United States)

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

    2016-08-01

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

  20. Parahydrogen enhanced zero-field nuclear magnetic resonance

    CERN Document Server

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

    2011-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Non Q. (San Diego, CA); Clarke, John (Berkeley, CA)

    1993-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Fan, N.Q.; Clarke, J.

    1993-10-19

    A spectrometer for measuring the nuclear quadrupole resonance spectra or the zero-field nuclear magnetic resonance spectra generated by a sample is disclosed. The spectrometer uses an amplifier having a dc SQUID operating in a flux-locked loop for generating an amplified output as a function of the intensity of the signal generated by the sample. The flux-locked loop circuit includes an integrator. The amplifier also includes means for preventing the integrator from being driven into saturation. As a result, the time for the flux-locked loop to recover from the excitation pulses generated by the spectrometer is reduced. 7 figures.

  3. Measurement of untruncated nuclear spin interactions via zero- to ultralow-field nuclear magnetic resonance

    Science.gov (United States)

    Blanchard, J. W.; Sjolander, T. F.; King, J. P.; Ledbetter, M. P.; Levine, E. H.; Bajaj, V. S.; Budker, D.; Pines, A.

    2015-12-01

    Zero- to ultralow-field nuclear magnetic resonance (ZULF NMR) provides a new regime for the measurement of nuclear spin-spin interactions free from the effects of large magnetic fields, such as truncation of terms that do not commute with the Zeeman Hamiltonian. One such interaction, the magnetic dipole-dipole coupling, is a valuable source of spatial information in NMR, though many terms are unobservable in high-field NMR, and the coupling averages to zero under isotropic molecular tumbling. Under partial alignment, this information is retained in the form of so-called residual dipolar couplings. We report zero- to ultralow-field NMR measurements of residual dipolar couplings in acetonitrile-2-13C aligned in stretched polyvinyl acetate gels. This permits the investigation of dipolar couplings as a perturbation on the indirect spin-spin J coupling in the absence of an applied magnetic field. As a consequence of working at zero magnetic field, we observe terms of the dipole-dipole coupling Hamiltonian that are invisible in conventional high-field NMR. This technique expands the capabilities of zero- to ultralow-field NMR and has potential applications in precision measurement of subtle physical interactions, chemical analysis, and characterization of local mesoscale structure in materials.

  4. Decoherence and fluctuation dynamics of the quantum dot nuclear spin bath probed by nuclear magnetic resonance

    Science.gov (United States)

    Chekhovich, Evgeny A.

    2017-06-01

    Dynamics of nuclear spin decoherence and nuclear spin flip-flops in self-assembled InGaAs/GaAs quantum dots are studied experimentally using optically detected nuclear magnetic resonance (NMR). Nuclear spin-echo decay times are found to be in the range 1-4 ms. This is a factor of ~3 longer than in strain-free GaAs/AlGaAs structures and is shown to result from strain-induced quadrupolar effects that suppress nuclear spin flip-flops. The correlation times of the flip-flops are examined using a novel frequency-comb NMR technique and are found to exceed 1 s, a factor of ~1000 longer than in strain-free structures. These findings complement recent studies of electron spin coherence and reveal the paradoxical dual role of the quadrupolar effects in self-assembled quantum dots: large increase of the nuclear spin bath coherence and at the same time significant reduction of the electron spin-qubit coherence. Approaches to increasing electron spin coherence are discussed. In particular the nanohole filled GaAs/AlGaAs quantum dots are an attractive option: while their optical quality matches the self-assembled dots the quadrupolar effects measured in NMR spectra are a factor of 1000 smaller.

  5. High-resolution (19)F MAS NMR spectroscopy: structural disorder and unusual J couplings in a fluorinated hydroxy-silicate.

    Science.gov (United States)

    Griffin, John M; Yates, Jonathan R; Berry, Andrew J; Wimperis, Stephen; Ashbrook, Sharon E

    2010-11-10

    High-resolution (19)F magic angle spinning (MAS) NMR spectroscopy is used to study disorder and bonding in a crystalline solid. (19)F MAS NMR reveals four distinct F sites in a 50% fluorine-substituted deuterated hydrous magnesium silicate (clinohumite, 4Mg(2)SiO(4)·Mg(OD(1-x)F(x))(2) with x = 0.5), indicating extensive structural disorder. The four (19)F peaks can be assigned using density functional theory (DFT) calculations of NMR parameters for a number of structural models with a range of possible local F environments generated by F(-)/OH(-) substitution. These assignments are supported by two-dimensional (19)F double-quantum MAS NMR experiments that correlate F sites based on either spatial proximity (via dipolar couplings) or through-bond connectivity (via scalar, or J, couplings). The observation of (19)F-(19)F J couplings is unexpected as the fluorines coordinate Mg atoms and the Mg-F interaction is normally considered to be ionic in character (i.e., there is no formal F-Mg-F covalent bonding arrangement). However, DFT calculations predict significant (19)F-(19)F J couplings, and these are in good agreement with the splittings observed in a (19)F J-resolved MAS NMR experiment. The existence of these J couplings is discussed in relation to both the nature of bonding in the solid state and the occurrence of so-called "through-space" (19)F-(19)F J couplings in solution. Finally, we note that we have found similar structural disorder and spin-spin interactions in both synthetic and naturally occurring clinohumite samples.

  6. [Qualitative and quantitative analysis of fluoxetine hydrochloride by 19F NMR].

    Science.gov (United States)

    Yang, Bai-Qin; Kong, Er-Li; Xue, Xiao-Di; Zhao, Shou-Qian; Lin, Shrong-Shi

    2012-05-01

    The chemical shift of fluoxetine hydrochloride appears at delta 14.15 in 19F NMR analysis. The delta moved upfield slightly from 14.158 to 14.145 when the concentration of solution became diluted from 2.00 to 0.05 mmol x L(-1). Spiking test was suggested to confirm the existence of the compound for qualitative analysis. 19F NMR detection sensitivity test illustrated that a concentration of 17 mg in 1 L water could be detected while the sample was scanned 500 times with optimum parameters. In quantitative analysis, standard curve of concentration versus fluorine signal intensity was proposed to determine the amount of fluoxetine. Long capillary tube containing trifluoroacetic acid was used as internal standard for the integration measurements and straight line was obtained with good fitting. Direct additions of trifluoroethanol to fluoxetine solutions gave a poorer standard curve.

  7. A 19F NMR study of C-I....pi- halogen bonding

    DEFF Research Database (Denmark)

    Hauchecorne, Dieter; vand er Veken, Benjamin J.; Herrebout, Wouter A.;

    2011-01-01

    The formation of halogen bonded complexes between toluene-d8 and the perfluoroiodopropanes 1-C3F7I and 2-C3F7I has been investigated using 19F NMR spectroscopy. For both Lewis acids, evidence was found for the formation of a C–I⋯π halogen bonded complex. The complex formed is a 1:1 type. Using sp...

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

    Science.gov (United States)

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

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

  9. Synthesis of fluorinated maltose derivatives for monitoring protein interaction by 19F NMR

    Directory of Open Access Journals (Sweden)

    Michaela Braitsch

    2012-03-01

    Full Text Available A novel reporter system, which is applicable to the 19F NMR investigation of protein interactions, is presented. This approach uses 2-F-labeled maltose as a spy ligand to indirectly probe protein–ligand or protein–protein interactions of proteins fused or tagged to the maltose-binding protein (MBP. The key feature is the simultaneous NMR observation of both 19F NMR signals of gluco/manno-type-2-F-maltose-isomers; one isomer (α-gluco-type binds to MBP and senses the protein interaction, and the nonbinding isomers (β-gluco- and/or α/β-manno-type are utilized as internal references. Moreover, this reporter system was used for relative affinity studies of fluorinated and nonfluorinated carbohydrates to the maltose-binding protein, which were found to be in perfect agreement with published X-ray data. The results of the NMR competition experiments together with the established correlation between 19F chemical shift data and molecular interaction patterns, suggest valuable applications for studies of protein–ligand interaction interfaces.

  10. Light nuclear charge measurement with Alpha Magnetic Spectrometer Electromagnetic Calorimeter

    Energy Technology Data Exchange (ETDEWEB)

    Basara, Laurent [Trento Institute for Fundamental Physics and Applications, Povo 38123 (Italy); Choutko, Vitaly [Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Li, Qiang, E-mail: q.li@cern.ch [Harbin Institute of Technology, Harbin, 150001 (China)

    2016-06-11

    The Alpha Magnetic Spectrometer (AMS) is a high energy particle detector installed and operating on board of the International Space Station (ISS) since May 2011. So far more than 70 billion cosmic ray events have been recorded by AMS. In the present paper the Electromagnetic Calorimeter (ECAL) detector of AMS is used to measure cosmic ray nuclear charge magnitudes up to Z=10. The obtained charge magnitude resolution is about 0.1 and 0.3 charge unit for Helium and Carbon, respectively. These measurements are important for an accurate determination of the interaction probabilities of various nuclei with the AMS materials. The ECAL charge calibration and measurement procedures are presented.

  11. Nuclear magnetic resonance-based quantification of organic diphosphates.

    Science.gov (United States)

    Lenevich, Stepan; Distefano, Mark D

    2011-01-15

    Phosphorylated compounds are ubiquitous in life. Given their central role, many such substrates and analogs have been prepared for subsequent evaluation. Prior to biological experiments, it is typically necessary to determine the concentration of the target molecule in solution. Here we describe a method where concentrations of stock solutions of organic diphosphates and bisphosphonates are quantified using (31)P nuclear magnetic resonance (NMR) spectroscopy with standard instrumentation using a capillary tube with a secondary standard. The method is specific and is applicable down to a concentration of 200 μM. The capillary tube provides the reference peak for quantification and deuterated solvent for locking.

  12. Thermo-magnetic systems for space nuclear reactors an introduction

    CERN Document Server

    Maidana, Carlos O

    2014-01-01

    Introduces the reader to engineering magnetohydrodynamics applications and presents a comprehensive guide of how to approach different problems found in this multidisciplinary field. An introduction to engineering magnetohydrodynamics, this brief focuses heavily on the design of thermo-magnetic systems for liquid metals, with emphasis on the design of electromagnetic annular linear induction pumps for space nuclear reactors. Alloy systems that are liquid at room temperature have a high degree of thermal conductivity far superior to ordinary non-metallic liquids. This results in their use for

  13. Resonantly detecting axion-mediated forces with nuclear magnetic resonance.

    Science.gov (United States)

    Arvanitaki, Asimina; Geraci, Andrew A

    2014-10-17

    We describe a method based on precision magnetometry that can extend the search for axion-mediated spin-dependent forces by several orders of magnitude. By combining techniques used in nuclear magnetic resonance and short-distance tests of gravity, our approach can substantially improve upon current experimental limits set by astrophysics, and probe deep into the theoretically interesting regime for the Peccei-Quinn (PQ) axion. Our method is sensitive to PQ axion decay constants between 10(9) and 10(12) GeV or axion masses between 10(-6) and 10(-3) eV, independent of the cosmic axion abundance.

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

    Science.gov (United States)

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

    2014-04-21

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

  15. Implementation of Quantum Private Queries Using Nuclear Magnetic Resonance

    Institute of Scientific and Technical Information of China (English)

    WANG Chuan; HAO Liang; ZHAO Lian-Jie

    2011-01-01

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

  16. Applications of Nuclear Magnetic Resonance Sensors to Cultural Heritage

    Directory of Open Access Journals (Sweden)

    Noemi Proietti

    2014-04-01

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

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

    Science.gov (United States)

    Lacelle, S

    1984-01-01

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

  18. 11B nuclear magnetic resonance in boron-doped diamond

    Directory of Open Access Journals (Sweden)

    Miwa Murakami, Tadashi Shimizu, Masataka Tansho and Yoshihiko Takano

    2008-01-01

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

  19. Development of Metallic Magnetic Calorimeters for Nuclear Safeguards Applications

    Energy Technology Data Exchange (ETDEWEB)

    Bates, Cameron Russell [Univ. of California, Berkeley, CA (United States)

    2015-03-11

    Many nuclear safeguards applications could benefit from high-resolution gamma-ray spectroscopy achievable with metallic magnetic calorimeters. This dissertation covers the development of a system for these applications based on gamma-ray detectors developed at the University of Heidelberg. It demonstrates new calorimeters of this type, which achieved an energy resolution of 45.5 eV full-width at half-maximum at 59.54 keV, roughly ten times better than current state of the art high purity germanium detectors. This is the best energy resolution achieved with a gamma-ray metallic magnetic calorimeter at this energy to date. In addition to demonstrating a new benchmark in energy resolution, an experimental system for measuring samples with metallic magnetic calorimeters was constructed at Lawrence Livermore National Laboratory. This system achieved an energy resolution of 91.3 eV full-width at half-maximum at 59.54 keV under optimal conditions. Using this system it was possible to characterize the linearity of the response, the count-rate limitations, and the energy resolution as a function of temperature of the new calorimeter. With this characterization it was determined that it would be feasible to measure 242Pu in a mixed isotope plutonium sample. A measurement of a mixed isotope plutonium sample was performed over the course of 12 days with a single two-pixel metallic magnetic calorimeter. The relative concentration of 242Pu in comparison to other plutonium isotopes was determined by direct measurement to less than half a percent accuracy. This is comparable with the accuracy of the best-case scenario using traditional indirect methods. The ability to directly measure the relative concentration of 242Pu in a sample could enable more accurate accounting and detection of indications of undeclared activities in nuclear safeguards, a better constraint on source material in forensic samples containing plutonium, and improvements in verification in a future plutonium

  20. Nuclear conversion theory: molecular hydrogen in non-magnetic insulators

    Science.gov (United States)

    Ilisca, Ernest; Ghiglieno, Filippo

    2016-09-01

    The hydrogen conversion patterns on non-magnetic solids sensitively depend upon the degree of singlet/triplet mixing in the intermediates of the catalytic reaction. Three main `symmetry-breaking' interactions are brought together. In a typical channel, the electron spin-orbit (SO) couplings introduce some magnetic excitations in the non-magnetic solid ground state. The electron spin is exchanged with a molecular one by the electric molecule-solid electron repulsion, mixing the bonding and antibonding states and affecting the molecule rotation. Finally, the magnetic hyperfine contact transfers the electron spin angular momentum to the nuclei. Two families of channels are considered and a simple criterion based on the SO coupling strength is proposed to select the most efficient one. The denoted `electronic' conversion path involves an emission of excitons that propagate and disintegrate in the bulk. In the other denoted `nuclear', the excited electron states are transients of a loop, and the electron system returns to its fundamental ground state. The described model enlarges previous studies by extending the electron basis to charge-transfer states and `continui' of band states, and focuses on the broadening of the antibonding molecular excited state by the solid conduction band that provides efficient tunnelling paths for the hydrogen conversion. After working out the general conversion algebra, the conversion rates of hydrogen on insulating and semiconductor solids are related to a few molecule-solid parameters (gap width, ionization and affinity potentials) and compared with experimental measures.

  1. Approaches to the assignment of {sup 19}F resonances from 3-fluorophenylalanine labeled calmodulin using solution state NMR

    Energy Technology Data Exchange (ETDEWEB)

    Kitevski-LeBlanc, Julianne L.; Evanics, Ferenc; Scott Prosser, R., E-mail: scott.prosser@utoronto.c [University of Toronto, Department of Chemistry (Canada)

    2010-06-15

    Traditional single site replacement mutations (in this case, phenylalanine to tyrosine) were compared with methods which exclusively employ {sup 15}N and {sup 19}F-edited two- and three-dimensional NMR experiments for purposes of assigning {sup 19}F NMR resonances from calmodulin (CaM), biosynthetically labeled with 3-fluorophenylalanine (3-FPhe). The global substitution of 3-FPhe for native phenylalanine was tolerated in CaM as evidenced by a comparison of {sup 1}H-{sup 15}N HSQC spectra and calcium binding assays in the presence and absence of 3-FPhe. The {sup 19}F NMR spectrum reveals six resolved resonances, one of which integrates to three 3-FPhe species, making for a total of eight fluorophenylalanines. Single phenylalanine to tyrosine mutants of five phenylalanine positions resulted in {sup 19}F NMR spectra with significant chemical shift perturbations of the remaining resonances, and provided only a single definitive assignment. Although {sup 1}H-{sup 19}F heteronucleclear NOEs proved weak, {sup 19}F-edited {sup 1}H-{sup 1}H NOESY connectivities were relatively easy to establish by making use of the {sup 3}J{sub FH} coupling between the fluorine nucleus and the adjacent fluorophenylalanine {delta} proton. {sup 19}F-edited NOESY connectivities between the {delta} protons and {alpha} and {beta} nuclei in addition to {sup 15}N-edited {sup 1}H, {sup 1}H NOESY crosspeaks proved sufficient to assign 4 of 8 {sup 19}F resonances. Controlled cleavage of the protein into two fragments using trypsin, and a repetition of the above 2D and 3D techniques resulted in unambiguous assignments of all 8 {sup 19}F NMR resonances. Our studies suggest that {sup 19}F-edited NOESY NMR spectra are generally adequate for complete assignment without the need to resort to mutational analysis.

  2. Verification of threshold activation detection (TAD) technique in prompt fission neutron detection using scintillators containing 19F

    Science.gov (United States)

    Sibczynski, P.; Kownacki, J.; Moszyński, M.; Iwanowska-Hanke, J.; Syntfeld-Każuch, A.; Gójska, A.; Gierlik, M.; Kaźmierczak, Ł.; Jakubowska, E.; Kędzierski, G.; Kujawiński, Ł.; Wojnarowicz, J.; Carrel, F.; Ledieu, M.; Lainé, F.

    2015-09-01

    In the present study ⌀ 5''× 3'' and ⌀ 2''× 2'' EJ-313 liquid fluorocarbon as well as ⌀ 2'' × 3'' BaF2 scintillators were exposed to neutrons from a 252Cf neutron source and a Sodern Genie 16GT deuterium-tritium (D+T) neutron generator. The scintillators responses to β- particles with maximum endpoint energy of 10.4 MeV from the n+19F reactions were studied. Response of a ⌀ 5'' × 3'' BC-408 plastic scintillator was also studied as a reference. The β- particles are the products of interaction of fast neutrons with 19F which is a component of the EJ-313 and BaF2 scintillators. The method of fast neutron detection via fluorine activation is already known as Threshold Activation Detection (TAD) and was proposed for photofission prompt neutron detection from fissionable and Special Nuclear Materials (SNM) in the field of Homeland Security and Border Monitoring. Measurements of the number of counts between 6.0 and 10.5 MeV with a 252Cf source showed that the relative neutron detection efficiency ratio, defined as epsilonBaF2 / epsilonEJ-313-5'', is 32.0% ± 2.3% and 44.6% ± 3.4% for front-on and side-on orientation of the BaF2, respectively. Moreover, the ⌀ 5'' EJ-313 and side-on oriented BaF2 were also exposed to neutrons from the D+T neutron generator, and the relative efficiency epsilonBaF2 / epsilonEJ-313-5'' was estimated to be 39.3%. Measurements of prompt photofission neutrons with the BaF2 detector by means of data acquisition after irradiation (out-of-beam) of nuclear material and between the beam pulses (beam-off) techniques were also conducted on the 9 MeV LINAC of the SAPHIR facility.

  3. Measuring the Muon g-2 Magnetic Storage Field Via Proton Nuclear Magnetic Resonance

    Science.gov (United States)

    Smith, Matthias; Muon g-2 Collaboration Collaboration

    2016-03-01

    The Muon g - 2 experiment at Fermilab aims to measure the muon anomalous magnetic moment, aμ, to a precision of 140 ppb, using a technique that determines the muon spin precession frequency in the highly uniform magnetic field of a storage ring. Both precession frequency and field determination contribute equally to the final systematic uncertainty. The magnetic field is determined from the measurement of free induction decay (FID) signals provided by a matrix of custom proton nuclear magnetic resonance (pNMR) probes. FID simulations show that we can achieve the required precision for extraction of field values compared to systematic contributions. The recently powered muon storage ring is providing data to evaluate the pNMR measurement results. We will describe the performance to date of this system.

  4. COMPARATIVE ASSESSMENT OF NUCLEAR MAGNETIC RELAXATION CHARACTERISTICS OF SUNFLOWER AND RAPESEED LECITHIN

    OpenAIRE

    Lisovaya E. V.; Victorova E. P.; Agafonov O. S.; Kornen N. N.; Shahray T. A.

    2015-01-01

    The article presents a comparative assessment and peculiarities of nuclear magnetic relaxation characteristics of rapeseed and sunflower lecithin. It was established, that lecithin’s nuclear magnetic relaxation characteristics, namely, protons’ spin-spin relaxation time and amplitudes of nuclear magnetic relaxation signals of lecithin components, depend on content of oil’s fat acids and phospholipids, contained in the lecithin. Comparative assessment of protons’ spin-spin relaxation time of r...

  5. Probing atomic scale transformation of fossil dental enamel using Fourier transform infrared and nuclear magnetic resonance spectroscopy: a case study from the Tugen Hills (Rift Gregory, Kenya).

    Science.gov (United States)

    Yi, Haohao; Balan, Etienne; Gervais, Christel; Ségalen, Loïc; Roche, Damien; Person, Alain; Fayon, Franck; Morin, Guillaume; Babonneau, Florence

    2014-09-01

    A series of fossil tooth enamel samples was investigated by Fourier transform infrared (FTIR) spectroscopy, (13)C and (19)F magic-angle spinning nuclear magnetic resonance (MAS NMR) and scanning electron microscopy (SEM). Tooth remains were collected in Mio-Pliocene deposits of the Tugen Hills in Kenya. Significant transformations were observed in fossil enamel as a function of increasing fluorine content (up to 2.8wt.%). FTIR spectroscopy revealed a shift of the ν1 PO4 stretching band to higher frequency. The ν2 CO3 vibrational band showed a decrease in the intensity of the primary B-type carbonate signal, which was replaced by a specific band at 864cm(-1). This last band was ascribed to a specific carbonate environment in which the carbonate group is closely associated to a fluoride ion. The occurrence of this carbonate defect was consistently attested by the observation of two different fluoride signals in the (19)F NMR spectra. One main signal, at ∼-100ppm, is related to structural F ions in the apatite channel and the other, at -88ppm, corresponds to the composite defect. These spectroscopic observations can be understood as resulting from the mixture of two phases: biogenic hydroxylapatite (bioapatite) and secondary fluorapatite. SEM observations of the most altered sample confirmed the extensive replacement of the bioapatite by fluorapatite, resulting from the dissolution of the primary bioapatite followed by the precipitation of carbonate-fluorapatite. The ν2 CO3 IR bands can be efficiently used to monitor the extent of this type of bioapatite transformation during fossilization. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-04-15

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

  7. TANKS 18 AND 19-F EQUIPMENT GROUT FILL MATERIAL EVALUATION AND RECOMMENDATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Stefanko, D.; Langton, C.

    2011-12-15

    The United States Department of Energy (US DOE) intends to remove Tanks 18-F and 19-F at the Savannah River Site (SRS) from service. The high-level waste (HLW) tanks have been isolated from the F-area Tank Farm (FTF) facilities and will be filled with cementitious grout for the purpose of: (1) physically stabilizing the empty volumes in the tanks, (2) limiting/eliminating vertical pathways from the surface to residual waste on the bottom of the tanks, (3) providing an intruder barrier, and (4) providing an alkaline, chemical reducing environment within the closure boundary to limit solubility of residual radionuclides. Bulk waste and heel waste removal equipment will remain in Tanks 18-F and 19-F when the tanks are closed. This equipment includes: mixer pumps, transfer pumps, transfer jets, equipment support masts, sampling masts and dip tube assemblies. The current Tank 18-F and 19-F closure strategy is to grout the internal void spaces in this equipment to eliminate fast vertical pathways and slow water infiltration to the residual material on the tank floor. This report documents the results of laboratory testing performed to identify a grout formulation for filling the abandoned equipment in Tanks 18-F and 19-F. The objective of this work was to formulate a flowable grout for filling internal voids of equipment that will remain in Tanks 18-F and 19-F during the final closures. This work was requested by V. A. Chander, Tank Farm Closure Engineering, in HLW-TTR-2011-008. The scope for this task is provided in the Task Technical and Quality Assurance Plan (TTQAP), SRNL-RP-2011-00587. The specific objectives of this task were to: (1) Prepare and evaluate the SRR cooling coil grout identified in WSRC-STI-2008-00298 per the TTR for this work. The cooling coil grout is a mixture of BASF MasterFlow{reg_sign} 816 cable grout (67.67 wt. %), Grade 100 ground granulated blast furnace slag (7.52 wt. %) and water (24.81 wt. %); (2) Identify equipment grout placement and

  8. 19F NMR method for the determination of quality of virgin olive oil

    Directory of Open Access Journals (Sweden)

    Zhou, L. L.

    2015-12-01

    Full Text Available This paper reported a potential analytical technique based on NMR spectroscopy for the determination of quality of olive oil. The model compounds with active hydrogen, including free sterols, free aliphatic alcohols, phenolics, and free fatty acids were determined by 19F NMR upon derivation with 4-fluorobenzoyl chloride. Integration of the appropriate signals of the derivatives of the compounds in the corresponding 19F NMR spectrum allows for the quantification of these compounds. 37 Samples of commercial olive oil and 5 samples of other plant oils were determined by 19F NMR. The amount of diglycerides and the ratio of 1,2-diglycerides to the total amount of diglycerides were analyzed to monitor whether extra virgin olive oil was adulterated with low price olive oil and other plant oils or not. The results showed that the total diglyceride content should not be higher than 2.5% and the ratio (D of 1,2-diglycerides to total diglycerides should be higher than 0.35 for extra virgin olive oil. This method is an easier, simpler, safer, faster and more reliable technique for the determination of the quality of olive oil and can also be extended to monitoring the quality of ordinary edible oils.En este trabajo se describe una técnica analítica basada en la espectroscopía de RMN para determinar la calidad del aceite de oliva. Los compuestos modelo con hidrógeno activo, incluyendo esteroles libres, alcoholes alifáticos libres, compuestos fenólicos, ácidos grasos libres se determinaron por 19F RMN derivatizados con cloruro de 4-fluorobenzoilo. La integración de las señales apropiadas de los derivados de los compuestos en el correspondiente espectro de 19F RMN permite la cuantificación de estos compuestos. 37 muestras de aceites de oliva comerciales y 5 muestras de otros aceites vegetales se determinaron por 19F RMN. La cantidad de diglicéridos y la proporción de los 1,2-diglicéridos a la cantidad total de diglicéridos se analizaron para

  9. Solid-state (19)F-NMR of peptides in native membranes.

    Science.gov (United States)

    Koch, Katja; Afonin, Sergii; Ieronimo, Marco; Berditsch, Marina; Ulrich, Anne S

    2012-01-01

    To understand how membrane-active peptides (MAPs) function in vivo, it is essential to obtain structural information about them in their membrane-bound state. Most biophysical approaches rely on the use of bilayers prepared from synthetic phospholipids, i.e. artificial model membranes. A particularly successful structural method is solid-state NMR, which makes use of macroscopically oriented lipid bilayers to study selectively isotope-labelled peptides. Native biomembranes, however, have a far more complex lipid composition and a significant non-lipidic content (protein and carbohydrate). Model membranes, therefore, are not really adequate to address questions concerning for example the selectivity of these membranolytic peptides against prokaryotic vs eukaryotic cells, their varying activities against different bacterial strains, or other related biological issues.Here, we discuss a solid-state (19)F-NMR approach that has been developed for structural studies of MAPs in lipid bilayers, and how this can be translated to measurements in native biomembranes. We review the essentials of the methodology and discuss key objectives in the practice of (19)F-labelling of peptides. Furthermore, the preparation of macroscopically oriented biomembranes on solid supports is discussed in the context of other membrane models. Two native biomembrane systems are presented as examples: human erythrocyte ghosts as representatives of eukaryotic cell membranes, and protoplasts from Micrococcus luteus as membranes from Gram-positive bacteria. Based on our latest experimental experience with the antimicrobial peptide gramicidin S, the benefits and some implicit drawbacks of using such supported native membranes in solid-state (19)F-NMR analysis are discussed.

  10. Largely Deformed Dinuclear System Formed in 19F +27A1 Dissipative Collision

    Institute of Scientific and Technical Information of China (English)

    HAN Jian-Long; WU He-Yu; LI Zhi-Chang; LU Xiu-Qin; ZHAO Kui; ZHOU Ping; LIU Jian-Cheng; XU Guo-Ji; Sergey Yu Kun; WANG Qi; DONG Yu-Chuan; LI Song-Lin; DUAN Li-Min; XU Hu-Shan; XU Hua-Gen; CHEN Ruo-Fu; BAI Zhen

    2006-01-01

    @@ Excitation functions are measured for different charge products of the 19F+27 Al reaction in the laboratory energy range 110.25-118.75MeV in steps of 250keV at θlab = 57°, 31° and -29°. The coherence rotation angular velocities of the intermediate dinuclear systems formed in the reaction are extracted from the cross section energy autocorrelation functions. Compared the angular velocity extracted from the experimental data with the ones deduced from the sticking limit, it is indicated that a larger deformation of the intermediate dinuclear system exists.

  11. Fluorinated Boronic Acid-Appended Bipyridinium Salts for Diol Recognition and Discrimination via (19)F NMR Barcodes.

    Science.gov (United States)

    Axthelm, Jörg; Görls, Helmar; Schubert, Ulrich S; Schiller, Alexander

    2015-12-16

    Fluorinated boronic acid-appended benzyl bipyridinium salts, derived from 4,4'-, 3,4'-, and 3,3'-bipyridines, were synthesized and used to detect and differentiate diol-containing analytes at physiological conditions via (19)F NMR spectroscopy. An array of three water-soluble boronic acid receptors in combination with (19)F NMR spectroscopy discriminates nine diol-containing bioanalytes--catechol, dopamine, fructose, glucose, glucose-1-phosphate, glucose-6-phosphate, galactose, lactose, and sucrose--at low mM concentrations. Characteristic (19)F NMR fingerprints are interpreted as two-dimensional barcodes without the need of multivariate analysis techniques.

  12. Multinucleon transfer in O,1816,19F+208Pb reactions at energies near the fusion barrier

    Science.gov (United States)

    Rafferty, D. C.; Dasgupta, M.; Hinde, D. J.; Simenel, C.; Simpson, E. C.; Williams, E.; Carter, I. P.; Cook, K. J.; Luong, D. H.; McNeil, S. D.; Ramachandran, K.; Vo-Phuoc, K.; Wakhle, A.

    2016-08-01

    Background: Nuclear reactions are complex, involving collisions between composite systems where many-body dynamics determines outcomes. Successful models have been developed to explain particular reaction outcomes in distinct energy and mass regimes, but a unifying picture remains elusive. The irreversible transfer of kinetic energy from the relative motion of the collision partners to their internal states, as is known to occur in deep inelastic collisions, has yet to be successfully incorporated explicitly into fully quantal reaction models. The influence of these processes on fusion is not yet quantitatively understood. Purpose: To investigate the population of high excitation energies in transfer reactions at sub-barrier energies, which are precursors to deep inelastic processes, and their dependence on the internuclear separation. Methods: Transfer probabilities and excitation energy spectra have been measured in collisions of O,1816,19F+208Pb , at various energies below and around the fusion barrier, by detecting the backscattered projectile-like fragments in a Δ E -E telescope. Results: The relative yields of different transfer outcomes are strongly driven by Q values, but change with the internuclear separation. In 16O+208Pb , single nucleon transfer dominates, with a strong contribution from -2 p transfer close to the Coulomb barrier, though this channel becomes less significant in relation to the -2 p 2 n transfer channel at larger separations. For 18O+208Pb , the -2 p 2 n channel is the dominant charge transfer mode at all separations. In the reactions with 19F,-3 p 2 n transfer is significant close to the barrier, but falls off rapidly with energy. Multinucleon transfer processes are shown to lead to high excitation energies (up to ˜15 MeV), which is distinct from single nucleon transfer modes which predominantly populate states at low excitation energy. Conclusions: Kinetic energy is transferred into internal excitations following transfer, with this

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-05-07

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

  14. In Vivo Quantification of Inflammation in Experimental Autoimmune Encephalomyelitis Rats Using Fluorine-19 Magnetic Resonance Imaging Reveals Immune Cell Recruitment outside the Nervous System.

    Directory of Open Access Journals (Sweden)

    Jia Zhong

    Full Text Available Progress in identifying new therapies for multiple sclerosis (MS can be accelerated by using imaging biomarkers of disease progression or abatement in model systems. In this study, we evaluate the ability to noninvasively image and quantitate disease pathology using emerging "hot-spot" 19F MRI methods in an experimental autoimmune encephalomyelitis (EAE rat, a model of MS. Rats with clinical symptoms of EAE were compared to control rats without EAE, as well as to EAE rats that received daily prophylactic treatments with cyclophosphamide. Perfluorocarbon (PFC nanoemulsion was injected intravenously, which labels predominately monocytes and macrophages in situ. Analysis of the spin-density weighted 19F MRI data enabled quantification of the apparent macrophage burden in the central nervous system and other tissues. The in vivo MRI results were confirmed by extremely high-resolution 19F/1H magnetic resonance microscopy in excised tissue samples and histopathologic analyses. Additionally, 19F nuclear magnetic resonance spectroscopy of intact tissue samples was used to assay the PFC biodistribution in EAE and control rats. In vivo hot-spot 19F signals were detected predominantly in the EAE spinal cord, consistent with the presence of inflammatory infiltrates. Surprising, prominent 19F hot-spots were observed in bone-marrow cavities adjacent to spinal cord lesions; these were not observed in control animals. Quantitative evaluation of cohorts receiving cyclophosphamide treatment displayed significant reduction in 19F signal within the spinal cord and bone marrow of EAE rats. Overall, 19F MRI can be used to quantitatively monitored EAE disease burden, discover unexpected sites of inflammatory activity, and may serve as a sensitive biomarker for the discovery and preclinical assessment of novel MS therapeutic interventions.

  15. In Vivo Quantification of Inflammation in Experimental Autoimmune Encephalomyelitis Rats Using Fluorine-19 Magnetic Resonance Imaging Reveals Immune Cell Recruitment outside the Nervous System.

    Science.gov (United States)

    Zhong, Jia; Narsinh, Kazim; Morel, Penelope A; Xu, Hongyan; Ahrens, Eric T

    2015-01-01

    Progress in identifying new therapies for multiple sclerosis (MS) can be accelerated by using imaging biomarkers of disease progression or abatement in model systems. In this study, we evaluate the ability to noninvasively image and quantitate disease pathology using emerging "hot-spot" 19F MRI methods in an experimental autoimmune encephalomyelitis (EAE) rat, a model of MS. Rats with clinical symptoms of EAE were compared to control rats without EAE, as well as to EAE rats that received daily prophylactic treatments with cyclophosphamide. Perfluorocarbon (PFC) nanoemulsion was injected intravenously, which labels predominately monocytes and macrophages in situ. Analysis of the spin-density weighted 19F MRI data enabled quantification of the apparent macrophage burden in the central nervous system and other tissues. The in vivo MRI results were confirmed by extremely high-resolution 19F/1H magnetic resonance microscopy in excised tissue samples and histopathologic analyses. Additionally, 19F nuclear magnetic resonance spectroscopy of intact tissue samples was used to assay the PFC biodistribution in EAE and control rats. In vivo hot-spot 19F signals were detected predominantly in the EAE spinal cord, consistent with the presence of inflammatory infiltrates. Surprising, prominent 19F hot-spots were observed in bone-marrow cavities adjacent to spinal cord lesions; these were not observed in control animals. Quantitative evaluation of cohorts receiving cyclophosphamide treatment displayed significant reduction in 19F signal within the spinal cord and bone marrow of EAE rats. Overall, 19F MRI can be used to quantitatively monitored EAE disease burden, discover unexpected sites of inflammatory activity, and may serve as a sensitive biomarker for the discovery and preclinical assessment of novel MS therapeutic interventions.

  16. TANK 18-F AND 19-F TANK FILL GROUT SCALE UP TEST SUMMARY

    Energy Technology Data Exchange (ETDEWEB)

    Stefanko, D.; Langton, C.

    2012-01-03

    High-level waste (HLW) tanks 18-F and 19-F have been isolated from FTF facilities. To complete operational closure the tanks will be filled with grout for the purpose of: (1) physically stabilizing the tanks, (2) limiting/eliminating vertical pathways to residual waste, (3) entombing waste removal equipment, (4) discouraging future intrusion, and (5) providing an alkaline, chemical reducing environment within the closure boundary to control speciation and solubility of select radionuclides. This report documents the results of a four cubic yard bulk fill scale up test on the grout formulation recommended for filling Tanks 18-F and 19-F. Details of the scale up test are provided in a Test Plan. The work was authorized under a Technical Task Request (TTR), HLE-TTR-2011-008, and was performed according to Task Technical and Quality Assurance Plan (TTQAP), SRNL-RP-2011-00587. The bulk fill scale up test described in this report was intended to demonstrate proportioning, mixing, and transportation, of material produced in a full scale ready mix concrete batch plant. In addition, the material produced for the scale up test was characterized with respect to fresh properties, thermal properties, and compressive strength as a function of curing time.

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

    Science.gov (United States)

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

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

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

    CERN Document Server

    MacKenzie, Kenneth J D

    2002-01-01

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

  19. Applications of nuclear magnetic resonance imaging in process engineering

    Science.gov (United States)

    Gladden, Lynn F.; Alexander, Paul

    1996-03-01

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

  20. Nuclear Magnetic Resonance Study of Nanoscale Ionic Materials

    KAUST Repository

    Oommen, Joanna Mary

    2010-08-13

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

  1. In vivo nuclear magnetic resonance metabolite profiling in plant seeds.

    Science.gov (United States)

    Terskikh, Victor; Kermode, Allison R

    2011-01-01

    Nuclear magnetic resonance (NMR) spectroscopy has been successfully applied to profile a variety of primary and secondary metabolites in whole intact plant seeds in vivo. The nondestructive nature of NMR spectroscopy allows direct metabolic studies to be performed on the same seed throughout a given physio-logical process or key lifecycle transition, such as dormancy breakage, germination, and early postgerminative growth. Multinuclear NMR is capable of evaluating seed quality by assessing nondestructively nutrient reserves and seed protectants at seed maturity and to further monitor reserve mobilization following germination, which is critical for seedling emergence. In this chapter, we illustrate the use of several in vivo NMR techniques for metabolite profiling in seeds. Importantly, some of these methods have potential for the screening of single seeds or seed populations to identify seedlots with compromised viability either due to developmental problems or as a result of deterioration during prolonged storage.

  2. Nuclear magnetic resonance tomography of the cervical canal

    Energy Technology Data Exchange (ETDEWEB)

    Terwey, B.; Koschorek, F.; Jensen, H.P.

    1985-12-01

    170 patients with suspected lesions of the cervical part of the medulla were examined using nuclear magnetic resonance (NMR) tomography. 27 cases revealed no pathological changes in the regions of the cervical medulla, the cervical canal and of the cervical spine. 143 cases produced pathological findings whose diagnoses determined therapeutical approach. Verified pathological changes comprised anomalies of the cranio-cervical junction like basilar impression and Arnold-Chiari malformation, various types of cavity formation in the cervical medulla (syringomyelia, hydromyelia), demyelinization processes, intramedullary and extramedullary tumours, intervertebral disk degeneration processes, dislocation of intervertebral disks and spondylophytes with spinal stenoses. Sagittal sections in different functional positions allowed to demonstrate the biomechanical effects of extramedullary masses on the cervical medulla. However, proven tumours could not be differentiated successfully using histological methods. Nevertheless, NMR tomography will replace invasive methods like conventional cervical myelography and CT myelography in diagnostic clarification of diseases of the cervical medulla.

  3. Nuclear magnetic resonance spectroscopy of single subnanoliter ova

    CERN Document Server

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

    2015-01-01

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

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

    CERN Document Server

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

    2012-01-01

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

  5. Effect of a strong magnetic field on the energy yield of nuclear reactions in dense nuclear matter

    Energy Technology Data Exchange (ETDEWEB)

    Sekerzhitskii, V.S. [Pushkin Pedagogical Institute, Brest (Belarus)

    1995-01-01

    According to modern concepts, the electron-neutron-nuclear (Aen) phase of dense highly degenerate matter can be realized in the shells of neutron stars. This phase has relatively stable and absolutely stable states of thermodynamic equilibrium. Strong magnetic fields can exist in neutron stars. For this reason, analysis of their effect on the characteristics of the Aen phase is of great interest. It is specially important to study the influence of strong magnetic fields on the energy yield of nuclear reactions in dense nuclear matter because the transition to the absolute equilibrium state proceeds through these reactions.

  6. TANK 18 AND 19-F TIER 1A EQUIPMENT FILL MOCK UP TEST SUMMARY

    Energy Technology Data Exchange (ETDEWEB)

    Stefanko, D.; Langton, C.

    2011-11-04

    The United States Department of Energy (US DOE) has determined that Tanks 18-F and 19-F have met the F-Tank Farm (FTF) General Closure Plan Requirements and are ready to be permanently closed. The high-level waste (HLW) tanks have been isolated from FTF facilities. To complete operational closure they will be filled with grout for the purpose of: (1) physically stabilizing the tanks, (2) limiting/eliminating vertical pathways to residual waste, (3) discouraging future intrusion, and (4) providing an alkaline, chemical reducing environment within the closure boundary to control speciation and solubility of select radionuclides. Bulk waste removal and heel removal equipment remain in Tanks 18-F and 19-F. This equipment includes the Advance Design Mixer Pump (ADMP), transfer pumps, transfer jets, standard slurry mixer pumps, equipment-support masts, sampling masts, dip tube assemblies and robotic crawlers. The present Tank 18 and 19-F closure strategy is to grout the equipment in place and eliminate vertical pathways by filling voids in the equipment to vertical fast pathways and water infiltration. The mock-up tests described in this report were intended to address placement issues identified for grouting the equipment that will be left in Tank 18-F and Tank 19-F. The Tank 18-F and 19-F closure strategy document states that one of the Performance Assessment (PA) requirements for a closed tank is that equipment remaining in the tank be filled to the extent practical and that vertical flow paths 1 inch and larger be grouted. The specific objectives of the Tier 1A equipment grout mock-up testing include: (1) Identifying the most limiting equipment configurations with respect to internal void space filling; (2) Specifying and constructing initial test geometries and forms that represent scaled boundary conditions; (3) Identifying a target grout rheology for evaluation in the scaled mock-up configurations; (4) Scaling-up production of a grout mix with the target rheology

  7. Single crystal nuclear magnetic resonance in spinning powders

    Science.gov (United States)

    Pell, Andrew J.; Pintacuda, Guido; Emsley, Lyndon

    2011-10-01

    We present a method for selectively exciting nuclear magnetic resonances (NMRs) from well-defined subsets of crystallites from a powdered sample under magic angle spinning. Magic angle spinning induces a time dependence in the anisotropic interactions, which results in a time variation of the resonance frequencies which is different for different crystallite orientations. The proposed method exploits this by applying selective pulses, which we refer to as XS (for crystallite-selective) pulses, that follow the resonance frequencies of nuclear species within particular crystallites, resulting in the induced flip angle being orientation dependent. By selecting the radiofrequency field to deliver a 180 ○ pulse for the target orientation and employing a train of such pulses combined with cogwheel phase cycling, we obtain a high degree of orientational selectivity with the resulting spectrum containing only contributions from orientations close to the target. Typically, this leads to the selection of between 0.1% and 10% of the crystallites, and in extreme cases to the excitation of a single orientation resulting in single crystal spectra of spinning powders. Two formulations of this method are described and demonstrated with experimental examples on [1 - 13C]-alanine and the paramagnetic compound Sm2Sn2O7.

  8. Low-frequency nuclear magnetic resonance and nuclear quadrupole resonance spectrometer based on a dc superconducting quantum interference device

    Science.gov (United States)

    Fan, N. Q.; Clarke, John

    1991-06-01

    A sensitive spectrometer, based on a dc superconducting quantum interference device, for the direct detection of low-frequency pulsed nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR), is described. The frequency response extends from about 10 to 200 kHz, and the recovery time after the magnetic pulse is removed is typically 50 μs. As examples, NMR spectra are shown from Pt and Cu metal powders in a magnetic field of 6 mT, and NQR spectra are shown from 2D in a tunneling methyl group and 14N in NH4ClO4.

  9. Nuclear magnetic shieldings of stacked aromatic and antiaromatic molecules.

    Science.gov (United States)

    Sundholm, Dage; Rauhalahti, Markus; Özcan, Nergiz; Mera-Adasme, Raul; Kussmann, Jörg; Luenser, Arne; Ochsenfeld, Christian

    2017-03-13

    Nuclear magnetic shieldings have been calculated at the density functional theory (DFT) level for stacks of benzene, hexadehydro[12]annulene, dodecadehydro[18]annulene and hexabenzocoronene. The magnetic shieldings due to the ring currents in the adjacent molecules have been estimated by calculating nucleus independent molecular shieldings for the monomer in the atomic positions of neighbor molecules. The calculations show that the independent shielding model works reasonable well for the (1)H NMR shieldings of benzene and hexadehydro[12]annulene, whereas for the larger molecules and for the (13)C NMR shieldings the interaction between the molecules leads to shielding effects that are at least of the same size as the ring current contributions from the adjacent molecules. A better agreement is obtained when the nearest neighbors are also considered at full quantum mechanical (QM) level. The calculations suggest that the nearest solvent molecules must be included in the quantum mechanical system, at least when estimating solvent shifts at the molecular mechanics (MM) level. Current density calculations show that the stacking does not significantly affect the ring current strengths of the individual molecules, whereas the shape of the ring current for a single molecule differs from that of the stacked molecules.

  10. Saturation properties of nuclear matter in the presence of strong magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Rezaei, Z. [Shiraz University, Department of Physics and Biruni Observatory, Shiraz (Iran, Islamic Republic of); Bordbar, G.H. [Shiraz University, Department of Physics and Biruni Observatory, Shiraz (Iran, Islamic Republic of); Center for Excellence in Astronomy and Astrophysics (CEAA-RIAAM)-Maragha, P.O. Box 55134-441, Maragha (Iran, Islamic Republic of)

    2016-05-15

    Different saturation properties of cold symmetric nuclear matter in strong magnetic field have been considered. We have seen that for magnetic fields about B>3 x 10{sup 17} G, for both cases with and without nucleon anomalous magnetic moments, the saturation density and saturation energy grow by increasing the magnetic field. It is indicated that the magnetic susceptibility of symmetric nuclear matter becomes negative showing the diamagnetic response especially at B<3 x 10{sup 17} G. We have found that for the nuclear matter, the magnitude of orbital magnetization reaches higher values comparing to the spin magnetization. Our results for the incompressibility show that at high enough magnetic fields, i.e. B>3 x 10{sup 17} G, the softening of the equation of state caused by Landau quantization is overwhelmed by stiffening due to the magnetization of nuclear matter. We have shown that the effects of strong magnetic field on nuclear matter may affect the constraints on the equation of state of symmetric nuclear matter obtained by applying the experimental observables. (orig.)

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

    CERN Document Server

    Kanegae, Y

    2003-01-01

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

  12. Heteronuclear 19F-1H statistical total correlation spectroscopy as a tool in drug metabolism: study of flucloxacillin biotransformation.

    Science.gov (United States)

    Keun, Hector C; Athersuch, Toby J; Beckonert, Olaf; Wang, Yulan; Saric, Jasmina; Shockcor, John P; Lindon, John C; Wilson, Ian D; Holmes, Elaine; Nicholson, Jeremy K

    2008-02-15

    We present a novel application of the heteronuclear statistical total correlation spectroscopy (HET-STOCSY) approach utilizing statistical correlation between one-dimensional 19F/1H NMR spectroscopic data sets collected in parallel to study drug metabolism. Parallel one-dimensional (1D) 800 MHz 1H and 753 MHz 19F{1H} spectra (n = 21) were obtained on urine samples collected from volunteers (n = 6) at various intervals up to 24 h after oral dosing with 500 mg of flucloxacillin. A variety of statistical relationships between and within the spectroscopic datasets were explored without significant loss of the typically high 1D spectral resolution, generating 1H-1H STOCSY plots, and novel 19F-1H HET-STOCSY, 19F-19F STOCSY, and 19F-edited 1H-1H STOCSY (X-STOCSY) spectroscopic maps, with a resolution of approximately 0.8 Hz/pt for both nuclei. The efficient statistical editing provided by these methods readily allowed the collection of drug metabolic data and assisted structure elucidation. This approach is of general applicability for studying the metabolism of other fluorine-containing drugs, including important anticancer agents such as 5-fluorouracil and flutamide, and is extendable to any drug metabolism study where there is a spin-active X-nucleus (e.g., 13C, 15N, 31P) label present.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-05-07

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

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

    Directory of Open Access Journals (Sweden)

    Michael W Vogel

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

  15. Tanks 18 And 19-F Structural Flowable Grout Fill Material Evaluation And Recommendations

    Energy Technology Data Exchange (ETDEWEB)

    Langton, C. A.; Stefanko, D. B.

    2013-04-23

    Cementitious grout will be used to close Tanks 18-F and 19-F. The functions of the grout are to: 1) physically stabilize the final landfill by filling the empty volume in the tanks with a non-compressible material; 2) provide a barrier for inadvertent intrusion into the tank; 3) reduce contaminant mobility by a) limiting the hydraulic conductivity of the closed tank and b) reducing contact between the residual waste and infiltrating water; and 4) providing an alkaline, chemically reducing environment in the closed tank to control speciation and solubility of selected radionuclides. The objective of this work was to identify a single (all-in-one) grout to stabilize and isolate the residual radionuclides in the tank, provide structural stability of the closed tank and serve as an inadvertent intruder barrier. This work was requested by V. A. Chander, High Level Waste (HLW) Tank Engineering, in HLW-TTR-2011-008. The complete task scope is provided in the Task Technical and QA Plan, SRNL-RP-2011-00587 Revision 0. The specific objectives of this task were to: 1) Identify new admixtures and dosages for formulating a zero bleed flowable tank fill material selected by HLW Tank Closure Project personnel based on earlier tank fill studies performed in 2007. The chemical admixtures used for adjusting the flow properties needed to be updated because the original admixture products are no longer available. Also, the sources of cement and fly ash have changed, and Portland cements currently available contain up to 5 wt. % limestone (calcium carbonate). 2) Prepare and evaluate the placement, compressive strength, and thermal properties of the selected formulation with new admixture dosages. 3) Identify opportunities for improving the mix selected by HLW Closure Project personnel and prepare and evaluate two potentially improved zero bleed flowable fill design concepts; one based on the reactor fill grout and the other based on a shrinkage compensating flowable fill mix design. 4

  16. A 19F NMR study of C-I....pi- halogen bonding

    DEFF Research Database (Denmark)

    Hauchecorne, Dieter; vand er Veken, Benjamin J.; Herrebout, Wouter A.

    2011-01-01

    The formation of halogen bonded complexes between toluene-d8 and the perfluoroiodopropanes 1-C3F7I and 2-C3F7I has been investigated using 19F NMR spectroscopy. For both Lewis acids, evidence was found for the formation of a C–I⋯π halogen bonded complex. The complex formed is a 1:1 type. Using...... spectra recorded at different temperatures, the complexation enthalpies and entropies for the complexes were determined to be −2.9(1) kJ mol−1 and −19.1(2) J K−1 mol−1 for the 2-C3F7I⋅toluene-d8 complex and −2.7(1) kJ mol−1 and −16.0(4) K−1 mol−1 for the 1-C3F7I⋅toluene-d8 complex. The experimental...

  17. Nuclear forward scattering of synchrotron radiation in pulsed high magnetic fields.

    Science.gov (United States)

    Strohm, C; Van der Linden, P; Rüffer, R

    2010-02-26

    We report the demonstration of nuclear forward scattering of synchrotron radiation from 57Fe in ferromagnetic alpha iron in pulsed high magnetic fields up to 30 T. The observed magnetic hyperfine field follows the calculated high field bulk magnetization within 1%, establishing the technique as a precise tool for the study of magnetic solids in very high magnetic fields. To perform these experiments in pulsed fields, we have developed a detection scheme for fully time resolved nuclear forward scattering applicable to other pump probe experiments.

  18. Magnetic Moments of Octet Baryons in Hot and Dense Nuclear Matter

    CERN Document Server

    Singh, Harpreet; Dahiya, Harleen

    2016-01-01

    We have calculated the in-medium magnetic moments of octet baryons in the presence of hot and dense symmetric nuclear matter. Effective magnetic moments of baryons have been derived from medium modified quark masses within chiral SU(3) quark mean field model.Further, for better insight of medium modification of baryonic magnetic moments, we have considered the explicit contributions from the valence as well as sea quark effects. These effects have been successful in giving the description of baryonic magnetic moments in vacuum. The magnetic moments of baryons are found to vary significantly as a function of density of nuclear medium.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-02-24

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

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

    CERN Document Server

    Hammerath, Franziska

    2012-01-01

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

  1. Nuclear spin conversion of water inside fullerene cages detected by low-temperature nuclear magnetic resonance

    Energy Technology Data Exchange (ETDEWEB)

    Mamone, Salvatore, E-mail: s.mamone@soton.ac.uk; Concistrè, Maria; Carignani, Elisa; Meier, Benno; Krachmalnicoff, Andrea; Johannessen, Ole G.; Denning, Mark; Carravetta, Marina; Whitby, Richard J.; Levitt, Malcolm H., E-mail: mhl@soton.ac.uk [School of Chemistry, University of Southampton, Southampton SO17 1BJ (United Kingdom); Lei, Xuegong; Li, Yongjun [Department of Chemistry, Columbia University, New York, New York 10027 (United States); Goh, Kelvin; Horsewill, Anthony J. [School of Physics and Astronomy, University of Nottingham, Nottingham NG7 2RD (United Kingdom)

    2014-05-21

    The water-endofullerene H{sub 2}O@C{sub 60} provides a unique chemical system in which freely rotating water molecules are confined inside homogeneous and symmetrical carbon cages. The spin conversion between the ortho and para species of the endohedral H{sub 2}O was studied in the solid phase by low-temperature nuclear magnetic resonance. The experimental data are consistent with a second-order kinetics, indicating a bimolecular spin conversion process. Numerical simulations suggest the simultaneous presence of a spin diffusion process allowing neighbouring ortho and para molecules to exchange their angular momenta. Cross-polarization experiments found no evidence that the spin conversion of the endohedral H{sub 2}O molecules is catalysed by {sup 13}C nuclei present in the cages.

  2. Nuclear magnetic resonance experiments with dc SQUID amplifiers

    Energy Technology Data Exchange (ETDEWEB)

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

    1990-11-01

    The development and fabrication of dc SQUIDs (Superconducting QUantum Interference Devices) with Nb/Al{sub 2}O{sub 3}/Nb Josephson junctions is described. A theory of the dc SQUID as a radio-frequency amplifier is presented, with an optimization strategy that accounts for the loading and noise contributions of the postamplifier and maximizes the signal-to-noise ratio of the total system. The high sensitivity of the dc SQUID is extended to high field NMR. A dc SQUID is used as a tuned radio-frequency amplifier to detect pulsed nuclear magnetic resonance at 32 MHz from a metal film in a 3.5 Tesla static field. A total system noise temperature of 11 K has been achieved, at a bath temperature of 4.2 K. The minimum number of nuclear Bohr magnetons observable from a free precession signal after a single pulse is about 2 {times} 10{sup 17} in a bandwidth of 25 kHz. In a separate experiment, a dc SQUID is used as a rf amplifier in a NQR experiment to observe a new resonance response mechanism. The net electric polarization of a NaClO{sub 3} crystal due to the precessing electric quadrupole moments of the Cl nuclei is detected at 30 MHz. The sensitivity of NMR and NQR spectrometers using dc SQUID amplifiers is compared to the sensitivity of spectrometers using conventional rf amplifiers. A SQUID-based spectrometer has a voltage sensitivity which is comparable to the best achieved by a FET-based spectrometer, at these temperatures and operating frequencies.

  3. Novel nuclear magnetic resonance techniques for studying biological molecules

    Energy Technology Data Exchange (ETDEWEB)

    Laws, David D.

    2000-06-01

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

  4. Frequency and Spatial Selectivity in Nuclear Magnetic Resonance Spectroscopy.

    Science.gov (United States)

    Friedrich, Jan O.

    1988-12-01

    Available from UMI in association with The British Library. Requires signed TDF. The techniques presented in this thesis are concerned with the high resolution nuclear magnetic resonance spectra of liquids. A selective pulse, shaped according to the first half of a Gaussian curve, is developed; it gives a very narrow absorption-mode excitation profile. This characteristics is used in developing selective coherence transfer experiments in which an individual transition is irradiated by the selective pulse followed by irradiation with an intense non-selective pulse. By stepping the irradiation frequency of the selective pulse along in small increments, this experiment produces results similar to conventional two-dimensional homonuclear correlation spectroscopy. Such a method allows selected spectral regions of a conventional two-dimensional spectrum to be examined under higher resolution while avoiding the restrictions imposed by the sampling theorem. The technique is also extended to a third frequency dimension by irradiating two transitions simultaneously before applying a non-selective pulse which yields correlations between three coupled nuclei. The remainder of this thesis introduces a spatial localisation method based on a "straddle coil": two parallel coaxial surface coils, one on each side of the sample and supplied with radiofrequency pulses of opposite phase. This configuration can be used for spatial localisation experiments by applying a sequence of equal and opposite prepulses before acquiring the signal. The prepulses saturate the nuclear spins in all sample regions except the sensitive volume close to the median plane where the radiofrequency fields from the two coils cancel. Pulse sequences are proposed that are insensitive to radiofrequency offset over an appreciable range. The location of the sensitive volume can be tracked across the sample in the axial dimension by changing the ratio of the radiofrequency currents in the two coils.

  5. Nuclear magnetic resonance experiments with DC SQUID amplifiers

    Science.gov (United States)

    Heaney, M. B.

    1990-11-01

    The development and fabrication of dc SQUIDs (Superconducting Quantum Interference Devices) with Nb/Al2O3/Nb Josephson junctions is described. A theory of the dc SQUID as a radio-frequency amplifier is presented, with an optimization strategy that accounts for the loading and noise contributions of the postamplifier and maximizes the signal-to-noise ratio of the total system. The high sensitivity of the dc SQUID is extended to high field NMR. A dc SQUID is used as a tuned radio-frequency amplifier to detect pulsed nuclear magnetic resonance at 32 MHz from a metal film in a 3.5 Tesla static field. A total system noise temperature of 11 K has been achieved, at a bath temperature of 4.2 K. The minimum number of nuclear Bohr magnetons observable from a free precession signal after a single pulse is about 2 x 10(exp 17) in a bandwidth of 25 kHz. In a separate experiment, a dc SQUID is used as a rf amplifier in a NQR experiment to observe a new resonance response mechanism. The net electric polarization of a NaClO3 crystal due to the precessing electric quadrupole moments of the Cl nuclei is detected at 30 MHz. The sensitivity of NMR and NQR spectrometers using dc SQUID amplifiers is compared to the sensitivity of spectrometers using conventional rf amplifiers. A SQUID-based spectrometer has a voltage sensitivity which is comparable to the best achieved by a FET-based spectrometer, at these temperatures and operating frequencies.

  6. CF3 Rotation in 3-(Trifluoromethyl)phenanthrene: Solid State 19F and 1H NMR relaxation and Bloch-Wangsness-Redfield theory.

    Science.gov (United States)

    Beckmann, Peter A; Rosenberg, Jessie; Nordstrom, Kerstin; Mallory, Clelia W; Mallory, Frank B

    2006-03-23

    We have observed and modeled the 1H and 19F solid-state nuclear spin relaxation process in polycrystalline 3-(trifluoromethyl)phenanthrene. The relaxation rates for the two spin species were observed from 85 to 300 K at the low NMR frequencies of omega/2pi = 22.5 and 53.0 MHz where CF3 rotation, characterized by a mean time tau between hops, is the only motion on the NMR time scale. All motional time scales (omegatau 1) are observed. The 1H spins are immobile on the NMR time scale but are coupled to the 19F spins via the unlike-spin dipole-dipole interaction. The temperature dependence of the observed relaxation rates (the relaxation is biexponential) shows considerable structure and a thorough analysis of Bloch-Wangsness-Redfield theory for this coupled spin system is provided. The activation energy for CF3 rotation is 11.5 +/- 0.7 kJ/mol, in excellent agreement with the calculation in a 13-molecule cluster provided in the companion paper where the crystal structure is reported and detailed ab initio electronic structure calculations are performed [Wang, X.; Mallory F. B.; Mallory, C. W; Beckmann, P. A.; Rheingold, A. L.; Francl, M. M J. Phys. Chem. A 2006, 110, 3954].

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

    Institute of Scientific and Technical Information of China (English)

    WANG; Weimin(

    2001-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    J. Hendricks; T. Yao; A. Kearns

    1999-01-21

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

  9. Nuclear magnetic resonance studies of bovine γB-crystallin

    Science.gov (United States)

    Thurston, George; Mills, Jeffrey; Michel, Lea; Mathews, Kaylee; Zanet, John; Payan, Angel; van Nostrand, Keith; Kotlarchyk, Michael; Ross, David; Wahle, Christopher; Hamilton, John

    Anisotropy of shape and/or interactions play an important role in determining the properties of concentrated solutions of the eye lens protein, γB-crystallin, including its liquid-liquid phase transition. We are studying γB anisotropic interactions with use of nuclear magnetic resonance (NMR) concentration- and temperature-dependent chemical shift perturbations (CSPs). We analyze two-dimensional heteronuclear spin quantum coherence (HSQC) spectra on backbone nitrogen and attached hydrogen nuclei for CSPs, up to 3 percent volume fraction. Cumulative distribution functions of the CSPs show a concentration and temperature-dependent spread. Many peaks that are highly shifted with either concentration or temperature are close (i) crystal intermolecular contacts (ii) locations of cataractogenic point mutations of a homologous human protein, human γD-crystallin, and (iii) charged amino-acid residues. We also discuss the concentration- and temperature-dependence of NMR and quasielastic light scattering measurements of rotational and translational diffusion of γB crystallin in solution, affected by interprotein attractions. Supported by NIH EY018249.

  10. Two-dimensional nuclear magnetic resonance of quadrupolar systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shuanhu

    1997-09-17

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

  11. Membrane proteins structure and dynamics by nuclear magnetic resonance.

    Science.gov (United States)

    Maltsev, Sergey; Lorigan, Gary A

    2011-10-01

    Membrane proteins represent a challenging class of biological systems to study. They are extremely difficult to crystallize and in most cases they retain their structure and functions only in membrane environments. Therefore, commonly used diffraction methods fail to give detailed molecular structure and other approaches have to be utilized to obtain biologically relevant information. Nuclear magnetic resonance (NMR) spectroscopy, however, can provide powerful structural and dynamical constraints on these complicated systems. Solution- and solid-state NMR are powerful methods for investigating membrane proteins studies. In this work, we briefly review both solution and solid-state NMR techniques for membrane protein studies and illustrate the applications of these methods to elucidate proteins structure, conformation, topology, dynamics, and function. Recent advances in electronics, biological sample preparation, and spectral processing provided opportunities for complex biological systems, such as membrane proteins inside lipid vesicles, to be studied faster and with outstanding quality. New analysis methods therefore have emerged, that benefit from the combination of sample preparation and corresponding specific high-end NMR techniques, which give access to more structural and dynamic information.

  12. Advances in Nuclear Magnetic Resonance for Drug Discovery

    Science.gov (United States)

    Powers, Robert

    2010-01-01

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

  13. Dynamic nuclear magnetic resonance field sensing with part-per-trillion resolution

    Science.gov (United States)

    Gross, Simon; Barmet, Christoph; Dietrich, Benjamin E.; Brunner, David O.; Schmid, Thomas; Pruessmann, Klaas P.

    2016-12-01

    High-field magnets of up to tens of teslas in strength advance applications in physics, chemistry and the life sciences. However, progress in generating such high fields has not been matched by corresponding advances in magnetic field measurement. Based mostly on nuclear magnetic resonance, dynamic high-field magnetometry is currently limited to resolutions in the nanotesla range. Here we report a concerted approach involving tailored materials, magnetostatics and detection electronics to enhance the resolution of nuclear magnetic resonance sensing by three orders of magnitude. The relative sensitivity thus achieved amounts to 1 part per trillion (10-12). To exemplify this capability we demonstrate the direct detection and relaxometry of nuclear polarization and real-time recording of dynamic susceptibility effects related to human heart function. Enhanced high-field magnetometry will generally permit a fresh look at magnetic phenomena that scale with field strength. It also promises to facilitate the development and operation of high-field magnets.

  14. Highly efficient (19)F heteronuclear decoupling in solid-state NMR spectroscopy using supercycled refocused-CW irradiation.

    Science.gov (United States)

    Equbal, Asif; Basse, Kristoffer; Nielsen, Niels Chr

    2016-12-07

    We present heteronuclear (19)F refocused CW (rCW) decoupling pulse sequences for solid-state magic-angle-spinning NMR applications. The decoupling sequences have been designed specifically to ensure suppression of the pertinent (13)C-(19)F dipolar coupling interactions while simultaneously suppressing strong anisotropic chemical shift as well as homonuclear (19)F-(19)F dipolar coupling effects as typically present in perfluorated compounds. In an extensive numerical and experimental analysis using a rigid, organic solid as a model compound, it becomes evident that the supercycled rCW schemes markedly improve the decoupling efficiency, leading to substantial enhancements in resolution and sensitivity when compared to previous state-of-the-art methods. Furthermore, considerable gains in robustness toward rf mismatch as well as offset in the radio-frequency carrier frequency are observed, all of which clearly render the new rCW schemes the methods of choice for (19)F decoupling in rigid, fluorinated compounds - which is further supported by a Floquet-based theoretical analysis.

  15. TANKS 18 AND 19-F STRUCTURAL FLOWABLE GROUT FILL MATERIAL EVALUATION AND RECOMMENDATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Stefanko, D.; Langton, C.

    2011-11-01

    Cementitious grout will be used to close Tanks 18-F and 19-F. The functions of the grout are to: (1) physically stabilize the final landfill by filling the empty volume in the tanks with a non compressible material; (2) provide a barrier for inadvertent intrusion into the tank; (3) reduce contaminant mobility by (a) limiting the hydraulic conductivity of the closed tank and (b) reducing contact between the residual waste and infiltrating water; and (4) providing an alkaline, chemically reducing environment in the closed tank to control speciation and solubility of selected radionuclides. The objective of this work was to identify a single (all-in-one) grout to stabilize and isolate the residual radionuclides in the tank, provide structural stability of the closed tank and serve as an inadvertent intruder barrier. This work was requested by V. A. Chander, High Level Waste (HLW) Tank Engineering, in HLW-TTR-2011-008. The complete task scope is provided in the Task Technical and QA Plan, SRNL-RP-2011-00587 Revision 0. The specific objectives of this task were to: (1) Identify new admixtures and dosages for formulating a zero bleed flowable tank fill material selected by HLW Tank Closure Project personnel based on earlier tank fill studies performed in 2007. The chemical admixtures used for adjusting the flow properties needed to be updated because the original admixture products are no longer available. Also, the sources of cement and fly ash have changed, and Portland cements currently available contain up to 5 wt. % limestone (calcium carbonate). (2) Prepare and evaluate the placement, compressive strength, and thermal properties of the selected formulation with new admixture dosages. (3) Identify opportunities for improving the mix selected by HLW Closure Project personnel and prepare and evaluate two potentially improved zero bleed flowable fill design concepts; one based on the reactor fill grout and the other based on a shrinkage compensating flowable fill mix

  16. Liquid-state nuclear spin comagnetometers

    CERN Document Server

    Ledbetter, Micah; Budker, Dmitry; Romalis, Michael; Blanchard, John; Pines, Alex

    2012-01-01

    We discuss nuclear spin comagnetometers based on ultra-low-field nuclear magnetic resonance in mixtures of miscible solvents, each rich in a different nuclear spin. In one version thereof, Larmor precession of protons and ${\\rm ^{19}F}$ nuclei in a mixture of thermally polarized pentane and hexafluorobenzene is monitored via a sensitive alkali-vapor magnetometer. We realize transverse relaxation times in excess of 20 s and suppression of magnetic field fluctuations by a factor of 3400. We estimate it should be possible to achieve single-shot sensitivity of about $5\\times{\\rm 10^{-9} Hz}$, or about $5\\times 10^{-11} {\\rm Hz}$ in $\\approx 1$ day of integration. In a second version, spin precession of protons and ${\\rm ^{129}Xe}$ nuclei in a mixture of pentane and hyperpolarized liquid xenon is monitored using superconducting quantum interference devices. Application to spin-gravity experiments, electric dipole moment experiments, and sensitive gyroscopes are discussed.

  17. Novel nuclear magnetic resonance techniques for studying biological molecules

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-12-01

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

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

    DEFF Research Database (Denmark)

    Aru, Violetta; Lam, Chloie; Khakimov, Bekzod

    2017-01-01

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

  20. QED calculation of the nuclear magnetic shielding for hydrogen-like ions

    CERN Document Server

    Yerokhin, V A; Harman, Z; Keitel, C H

    2012-01-01

    We report an ab initio calculation of the shielding of the nuclear magnetic moment by the bound electron in hydrogen-like ions. This investigation takes into account several effects that have not been calculated before (electron self-energy, vacuum polarization, nuclear magnetization distribution), thus bringing the theory to the point where further progress is impeded by the uncertainty due to nuclear-structure effects. The QED corrections are calculated to all orders in the nuclear binding strength parameter and, independently, to the leading order in the expansion in this parameter. The results obtained lay the ground for the high-precision determination of nuclear magnetic dipole moments from measurements of the g-factor of hydrogen-like ions.

  1. Developing hyperpolarized krypton-83 for nuclear magnetic resonance spectroscopy and magnetic resonance imaging

    Science.gov (United States)

    Cleveland, Zackary I.

    This dissertation discusses the production of highly nonequilibrium nuclear spin polarization, referred to as hyperpolarization or hp, in the nuclear spin I = 9/2 noble gas isotope krypton-83 using spin exchange optical pumping (SEOP). This nonequilibrium polarization yields nuclear magnetic resonance (NMR) signals that are enhanced three or more orders of magnitude above those of thermally polarized krypton and enables experiments that would otherwise be impossible. Krypton-83 possesses a nuclear electric quadrupole moment that dominates the longitudinal (T1) relaxation due to coupling of the quadrupole moment to fluctuating electric field gradients generated by distortions to the spherical symmetry of the electronic environment. Relaxation slows polarization buildup and limits the maximum signal intensity but makes krypton-83 a sensitive probe of its environment. The gas-phase krypton-83 longitudinal relaxation rate increases linearly with total gas density due to binary collisions. Density independent relaxation, caused by the formation of krypton-krypton van der Waals molecules and surface adsorption, also contributes to the observed rate. Buffer gases suppress van der Waals molecule mediated relaxation by breaking apart the weakly bound krypton dimers. Surface relaxation is gas composition independent and therefore more difficult to suppress. However, this relaxation mechanism makes hp krypton-83 sensitive to important surface properties including surface-to-volume ratio, surface chemistry, and surface temperature. The presence of surfaces with high krypton adsorption affinities (i.e. hydrophobic surfaces) accelerates the relaxation times and can produce T1 contrast in hp krypton-83 magnetic resonance imaging (MRI). Tobacco smoke deposited on surfaces generates strong T1 contrast allowing the observation of smoke deposition with spatial resolution. Conversely, water adsorption on surfaces significantly lengths the T1 times due competitive surface adsorption

  2. Stopping power measurements for {sup 16}O, {sup 19}F and {sup 28}Si ions in Mylar by a transmission technique

    Energy Technology Data Exchange (ETDEWEB)

    Chekirine, M., E-mail: chekirine_mamoun@yahoo.fr [Departement de physique, Faculte des sciences, Universite Saad Dahleb, B.P. 270, route de Soumaa, Blida (Algeria); Ammi, H., E-mail: hakim_ammi@yahoo.fr [Centre de Recherche Nucleaire d' Alger, 2, Bd. Frantz Fanon, B.P. 399, Alger-Gare (Algeria); Choudhury, R.K.; Biswas, D.C. [Bhabha Atomic Research Centre, Nuclear Physics Division, Mumbai (India); Tobbeche, S., E-mail: said_tobbeche@yahoo.com [Faculte des sciences, Universite El-Hadj Lakhdar, Batna 05000 (Algeria)

    2011-12-15

    Electronic energy loss of charged particles in materials is a fundamental process responsible for the unique response of materials in applications of advanced nuclear power, radiation detectors and advanced processing of electronic devices. In this study, stopping powers of {sup 16}O, {sup 19}F and {sup 28}Si heavy ions crossing thin Mylar foils have been determined in transmission geometry. The energy loss was measured over a continuous range of energies from 1.6 to 5.5 MeV/n (MeV per nucleon) using the data that was tagged by a surface barrier detector (SBD) with and without stopping foils. We have compared the obtained stopping values to those predicted by SRIM-2008 computer code, ICRU-73 stopping data tables and MSTAR calculations. The effective charge values of these heavy ions have been also deduced from the experimental set of data.

  3. Robust and efficient 19F heteronuclear dipolar decoupling using refocused continuous-wave rf irradiation

    Science.gov (United States)

    Vinther, Joachim M.; Khaneja, Navin; Nielsen, Niels Chr.

    2013-01-01

    Refocused continuous wave (rCW) decoupling is presented as an efficient and robust means to obtain well-resolved magic-angle-spinning solid-state NMR spectra of low-γ spins, such as 13C dipolar coupled to fluorine. The rCW decoupling sequences, recently introduced for 1H decoupling, are very robust towards large isotropic and anisotropic shift ranges as often encountered for 19F spins. In rCW decoupling, the so-called refocusing pulses inserted into the CW irradiation eliminate critical residual second- and third-order dipolar coupling and dipolar-coupling against chemical shielding anisotropy cross-terms in the effective Hamiltonian through time-reversal (i.e. refocusing). As important additional assets, the rCW decoupling sequences are robust towards variations in rf amplitudes, operational at low to high spinning speeds, and easy to set-up for optimal performance experimentally. These aspects are demonstrated analytically/numerically and experimentally in comparison to state-of-the-art decoupling sequences such as TPPM, SPINAL-64, and frequency-swept variants of these.

  4. Determination of {sup 19} F - {sup 13} C coupling constants and their use in mono fluoro benzaldehyde derivatives conformational analysis

    Energy Technology Data Exchange (ETDEWEB)

    Villar, Jose Daniel Figueroa [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil). Inst. de Quimica

    1995-12-31

    The element fluorine is extremely important in medicinal chemistry. In order to research the possible molecular alterations introduced for the substitution of hydrogen for fluorine, the study of {sup 19} F-{sup 13} C coupling constants is necessary. In this work, ortho- and para-fluorine-substituted benzaldehydes and some other aromatic fluoro compounds were studied using {sup 1} H, {sup 13} C and {sup 19} F NMR. The long range C-F coupling constants were measured from the PND spectra and compared with the long range values of H-C coupling constants, so as to, at first, determine their importance in conformational analysis 5 refs., 2 figs., 3 tabs.

  5. Time-odd mean fields in the rotating frame microscopic nature of nuclear magnetism

    CERN Document Server

    Afanasiev, A V

    2000-01-01

    The microscopic role of nuclear magnetism in rotating frame is investigated for the first time in the framework of the cranked relativistic mean field theory. It is shown that nuclear magnetism modifies the expectation values of single-particle spin, orbital and total angular momenta along the rotational axis effectively creating additional angular momentum. This effect leads to the increase of kinematic and dynamic moments of inertia at given rotational frequency and has an impact on effective alignments.

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

    Directory of Open Access Journals (Sweden)

    Hossein Pourmodheji

    2016-06-01

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

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

    Science.gov (United States)

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

    2016-06-09

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

  8. Nuclear magnetic resonance studies of macroscopic morphology and dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Barrall, Geoffrey Alden [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry

    1995-09-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-31

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

  10. Calculation of nuclear matter in the presence of strong magnetic field using LOCV technique

    CERN Document Server

    Bordbar, G H

    2015-01-01

    In the present work, we are interested in the properties of nuclear matter at zero temperature in the presence of strong magnetic fields using the lowest order constraint variational (LOCV) method employing $AV_{18}$ nuclear potential. Our results indicate that in the absence of a magnetic field, the energy per particle is a symmetric function of the spin polarization parameter. This shows that for the nuclear matter, the spontaneous phase transition to a ferromagnetic state does not occur. However, we have found that for the magnetic fields $ B\\gtrsim 10 ^ {18}\\ G$, the symmetry of energy is broken and the energy has a minimum at a positive value of the spin polarization parameter. We have also found that the effect of magnetic field on the value of energy is more significant at the low densities. Our calculations show that at lower densities, the spin polarization parameter is more sensitive to the magnetic field.

  11. Range Distribution Parameters and Electronic Stopping Power for 19F+ Ions in SnO2, Indium-Tin Oxide, AgGaSe2 and AgGaS2:Comparison Between Theory and Experiment

    Institute of Scientific and Technical Information of China (English)

    XIA Hui-Hao; LIU Xiang-Dong

    2004-01-01

    @@ Range distributions of fluorine for 19F+- implantation into SnO2, indium-tin oxide, AgGaS2 and AgGaSe2 are measured by using the 1gF(p,αγ)16O resonant nuclear reactions. The electronic stopping cross sections for 19F ions in these materials are derived from the measured range distributions. These experimental results are compared with those obtained from the newest version of stopping and range computer code, SRIM2003. The values of projected range predicted by the SRIM2003 agree well with the measured values for AgGaS2 and AgGaSe2 substrates. However, the values given by the SRIM2003 substantially deviate from the experimental values for the oxide materials SnO2 and ITO.

  12. A proposed direct measurement of cross section at Gamow window for key reaction $^{19}$F($p$,$\\alpha$)$^{16}$O in Asymptotic Giant Branch stars with a planned accelerator in CJPL

    CERN Document Server

    He, J J; Ma, S B; Hu, J; Zhang, L Y; Fu, C B; Zhang, N T; Lian, G; Su, J; Li, Y J; Yan, S Q; Shen, Y P; Hou, S Q; Jia, B L; Zhang, T; Zhang, X P; Guo, B; Kubono, S; Liu, W P

    2016-01-01

    In 2014, the National Natural Science Foundation of China (NSFC) approved the Jinping Underground Nuclear Astrophysics laboratory (JUNA) project, which aims at direct cross-section measurements of four key stellar nuclear reactions right down to the Gamow windows. In order to solve the observed fluorine overabundances in Asymptotic Giant Branch (AGB) stars, measuring the key $^{19}$F($p$,$\\alpha$)$^{16}$O reaction at effective burning energies (i.e., at Gamow window) is established as one of the scientific research sub-projects. The present paper describes this sub-project in details, including motivation, status, experimental setup, yield and background estimation, aboveground test, as well as other relevant reactions.

  13. (19)F(α,n) thick target yield from 3.5 to 10.0 MeV.

    Science.gov (United States)

    Norman, E B; Chupp, T E; Lesko, K T; Grant, P J; Woodruff, G L

    2015-09-01

    Using a target of PbF2, the thick-target yield from the (19)F(α,n) reaction was measured from E(α)=3.5-10 MeV. From these results, we infer the thick-target neutron yields from targets of F2 and UF6 over this same alpha-particle energy range.

  14. Fluorinated Carbohydrates as Lectin Ligands: 19F-Based Direct STD Monitoring for Detection of Anomeric Selectivity

    Science.gov (United States)

    Ribeiro, João P.; Diercks, Tammo; Jiménez-Barbero, Jesús; André, Sabine; Gabius, Hans-Joachim; Cañada, Francisco Javier

    2015-01-01

    The characterization of the binding of reducing carbohydrates present as mixtures of anomers in solution to a sugar recepor (lectin) poses severe difficulties. In this situation, NMR spectroscopy enables the observation of signals for each anomer in the mixture by applying approaches based on ligand observation. Saturation transfer difference (STD) NMR allows fast and efficient screening of compound mixtures for reactivity to a receptor. Owing to the exceptionally favorable properties of 19F in NMR spectroscopy and the often complex 1H spectra of carbohydrates, 19F-containing sugars have the potential to be turned into versatile sensors for recognition. Extending the recently established 1H → 1H STDre19F-NMR technique, we here demonstrate its applicability to measure anomeric selectivity of binding in a model system using the plant lectin concanavalin A (ConA) and 2-deoxy-2-fluoro-d-mannose. Indeed, it is also possible to account for the mutual inhibition between the anomers on binding to the lectin by means of a kinetic model. The monitoring of 19F-NMR signal perturbation disclosed the relative activities of the anomers in solution and thus enabled the calculation of their binding affinity towards ConA. The obtained data show a preference for the α anomer that increases with temperature. This experimental approach can be extended to others systems of biomedical interest by testing human lectins with suitably tailored glycan derivatives. PMID:26580665

  15. Angular Distribution and Angular Dispersion in Collision of 19F+27A1 at 114 MeV

    Institute of Scientific and Technical Information of China (English)

    WANG Qi; Li Zhi-Chang; LU Xiu-Qin; ZHAO Kui; LIU Jian-Cheng; SERGEY Yu-Kun; DONG Yu-Chuan; LI Song-Lin; DUAN Li-Min; XU Hu-Shan; XU Hua-Gen; CHEN Ruo-Fu; WU He-Yu; HAN Jian-Long

    2004-01-01

    Angular distributions of fragments B, C, N, O, F, Ne, Na, Mg and Al induced by the collision of 19F+27 A1 at 114MeV have been measured. Angular dispersion parameters are extracted from the experimental data and compared with the theoretical ones. The dynamic dispersions for dissipative products depend strongly on the charge number Z of the fragments.

  16. (19)F-heptuloses as tools for the non-invasive imaging of GLUT2-expressing cells

    DEFF Research Database (Denmark)

    Malaisse, Willy J; Zhang, Ying; Louchami, Karim

    2012-01-01

    Suitable analogs of d-mannoheptulose are currently considered as possible tools for the non-invasive imaging of pancreatic islet insulin-producing cells. Here, we examined whether (19)F-heptuloses could be used for non-invasive imaging of GLUT2-expressing cells. After 20 min incubation, the uptake...

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

    Science.gov (United States)

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

    2016-09-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Bielecki, A.

    1987-05-01

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

  19. {sup 19}F-labeling of the adenine H2-site to study large RNAs by NMR spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Sochor, F. [Johann Wolfgang Goethe-University Frankfurt, Institut für Organische Chemie und Chemische Biologie, Center for Biomolecular Magnetic Resonance (BMRZ) (Germany); Silvers, R. [Massachusetts Institute of Technology, Department of Chemistry, Francis Bitter Magnet Laboratory (United States); Müller, D.; Richter, C.; Fürtig, B., E-mail: fuertig@nmr.uni-frankfurt.de; Schwalbe, H., E-mail: schwalbe@nmr.uni-frankfurt.de [Johann Wolfgang Goethe-University Frankfurt, Institut für Organische Chemie und Chemische Biologie, Center for Biomolecular Magnetic Resonance (BMRZ) (Germany)

    2016-01-15

    In comparison to proteins and protein complexes, the size of RNA amenable to NMR studies is limited despite the development of new isotopic labeling strategies including deuteration and ligation of differentially labeled RNAs. Due to the restricted chemical shift dispersion in only four different nucleotides spectral resolution remains limited in larger RNAs. Labeling RNAs with the NMR-active nucleus {sup 19}F has previously been introduced for small RNAs up to 40 nucleotides (nt). In the presented work, we study the natural occurring RNA aptamer domain of the guanine-sensing riboswitch comprising 73 nucleotides from Bacillus subtilis. The work includes protocols for improved in vitro transcription of 2-fluoroadenosine-5′-triphosphat (2F-ATP) using the mutant P266L of the T7 RNA polymerase. Our NMR analysis shows that the secondary and tertiary structure of the riboswitch is fully maintained and that the specific binding of the cognate ligand hypoxanthine is not impaired by the introduction of the {sup 19}F isotope. The thermal stability of the {sup 19}F-labeled riboswitch is not altered compared to the unmodified sequence, but local base pair stabilities, as measured by hydrogen exchange experiments, are modulated. The characteristic change in the chemical shift of the imino resonances detected in a {sup 1}H,{sup 15}N-HSQC allow the identification of Watson–Crick base paired uridine signals and the {sup 19}F resonances can be used as reporters for tertiary and secondary structure transitions, confirming the potential of {sup 19}F-labeling even for sizeable RNAs in the range of 70 nucleotides.

  20. Characterization of solid polymer dispersions of active pharmaceutical ingredients by 19F MAS NMR and factor analysis

    Science.gov (United States)

    Urbanova, Martina; Brus, Jiri; Sedenkova, Ivana; Policianova, Olivia; Kobera, Libor

    In this contribution the ability of 19F MAS NMR spectroscopy to probe structural variability of poorly water-soluble drugs formulated as solid dispersions in polymer matrices is discussed. The application potentiality of the proposed approach is demonstrated on a moderately sized active pharmaceutical ingredient (API, Atorvastatin) exhibiting extensive polymorphism. In this respect, a range of model systems with the API incorporated in the matrix of polvinylpyrrolidone (PVP) was prepared. The extent of mixing of both components was determined by T1(1H) and T1ρ(1H) relaxation experiments, and it was found that the API forms nanosized domains. Subsequently it was found out that the polymer matrix induces two kinds of changes in 19F MAS NMR spectra. At first, this is a high-frequency shift reaching 2-3 ppm which is independent on molecular structure of the API and which results from the long-range polarization of the electron cloud around 19F nucleus induced by electrostatic fields of the polymer matrix. At second, this is broadening of the signals and formation of shoulders reflecting changes in molecular arrangement of the API. To avoid misleading in the interpretation of the recorded 19F MAS NMR spectra, because both the contributions act simultaneously, we applied chemometric approach based on multivariate analysis. It is demonstrated that factor analysis of the recorded spectra can separate both these spectral contributions, and the subtle structural differences in the molecular arrangement of the API in the nanosized domains can be traced. In this way 19F MAS NMR spectra of both pure APIs and APIs in solid dispersions can be directly compared. The proposed strategy thus provides a powerful tool for the analysis of new formulations of fluorinated pharmaceutical substances in polymer matrices.

  1. First Measurement of the 19F(α, p)22Ne Reaction at Energies of Astrophysical Relevance

    Science.gov (United States)

    Pizzone, R. G.; D’Agata, G.; La Cognata, M.; Indelicato, I.; Spitaleri, C.; Blagus, S.; Cherubini, S.; Figuera, P.; Grassi, L.; Guardo, G. L.; Gulino, M.; Hayakawa, S.; Kshetri, R.; Lamia, L.; Lattuada, M.; Mijatović, T.; Milin, M.; Miljanić D., Đ.; Prepolec, L.; Rapisarda, G. G.; Romano, S.; Sergi, M. L.; Skukan, N.; Soić, N.; Tokić, V.; Tumino, A.; Uroić, M.

    2017-02-01

    The observational 19F abundance in stellar environments systematically exceeds the predicted one, thus representing one of the unsolved challenges for stellar modeling. It is therefore clear that further investigation is needed in this field. In this work, we focus our attention on the measurement of the {}19{{F}}{(α ,p)}22{Ne} reaction in the astrophysical energy range, between 0.2 and 0.8 MeV (far below the Coulomb barrier, 3.8 MeV), as it represents the main destruction channel in He-rich environments. The lowest energy at which this reaction has been studied with direct measurements is ∼0.66 MeV, covering only the upper tail of the Gamow window, causing the reaction-rate evaluation to be based on extrapolation. To investigate lower energies, the {}19{{F}}{(α ,p)}22{Ne} reaction has been studied by means of the Trojan horse method, applied to the quasi-free {}6{Li}{{(}19{{F}},{p}22{Ne})}2{{H}} reaction at E beam = 6 MeV. The indirect cross section of the {}19{{F}}{(α ,p)}22{Ne} reaction at energies ≲1 MeV was extracted, fully covering the astrophysical region of interest and overlapping existing direct data for normalization. Several resonances have been detected for the first time inside the Gamow window. The reaction rate has been calculated, showing an increase up to a factor of 4 with respect to the literature at astrophysical temperatures. This might lead to potential major astrophysical implications.

  2. Nuclear ground-state spin and magnetic moment of 21Mg

    CERN Document Server

    Krämer, J; De Rydt, M; Flanagan, K T; Geppert, Ch; Kowalska, M; Lievens, P; Neugart, R; Neyens, G; Nörtershäuser, W; Stroke, H H; Vingerhoets, P; Yordanov, D T

    2009-01-01

    We present the results of combined laser spectroscopy and nuclear magnetic resonance studies of 21Mg. The nuclear ground-state spin was measured to be I=5/2 with a magnetic moment of μ=−0.983(7)μN. The isoscalar magnetic moment of the mirror pair is evaluated and compared to the extreme single-particle prediction and to nuclear shell-model calculations. We determine an isoscalar spin expectation value of σ=1.15(2), which is significantly greater than the empirical limit of unity given by the Schmidt values of the magnetic moments. Shell-model calculations taking into account isospin non-conserving effects, are in agreement with our experimental results.

  3. Coexistence of phases in asymmetric nuclear matter under strong magnetic fields

    CERN Document Server

    Aguirre, R

    2014-01-01

    The equation of state of nuclear matter is strongly affected by the presence of a magnetic field. Here we study the equilibrium configuration of asymmetric nuclear matter for a wide range of densities, isospin composition, temperatures and magnetic fields. Special attention is paid to the low density and low temperature domain, where a thermodynamical instability exists. Neglecting fluctuations of the Coulomb force, a coexistence of phases is found under such conditions, even for extreme magnetic intensities. We describe the nuclear interaction by using the non--relativistic Skyrme potential model within a Hartree--Fock approach. We found that the coexistence of phases modifies the equilibrium configuration, masking most of the manifestations of the spin polarized matter. However, the compressibility and the magnetic susceptibility show clear signals of this fact. Thermal effects are significative for both quantities, mainly out of the coexistence region.

  4. In-Vivo Detection and Tracking of T Cells in Various Organs in a Melanoma Tumor Model by 19F-Fluorine MRS/MRI

    Science.gov (United States)

    Gonzales, Christine; Yoshihara, Hikari A. I.; Dilek, Nahzli; Leignadier, Julie; Irving, Melita; Mieville, Pascal; Helm, Lothar; Michielin, Olivier; Schwitter, Juerg

    2016-01-01

    Background 19F-MRI and 19F-MRS can identify specific cell types after in-vitro or in-vivo 19F-labeling. Knowledge on the potential to track in-vitro 19F-labeled immune cells in tumor models by 19F-MRI/MRS is scarce. Aim To study 19F-based MR techniques for in-vivo tracking of adoptively transferred immune cells after in-vitro 19F-labeling, i.e. to detect and monitor their migration non-invasively in melanoma-bearing mice. Methods Splenocytes (SP) were labeled in-vitro with a perfluorocarbon (PFC) and IV-injected into non-tumor bearing mice. In-vitro PFC-labeled ovalbumin (OVA)-specific T cells from the T cell receptor-transgenic line OT-1, activated with anti-CD3 and anti-CD28 antibodies (Tact) or OVA-peptide pulsed antigen presenting cells (TOVA-act), were injected into B16 OVA melanoma-bearing mice. The distribution of the 19F-labelled donor cells was determined in-vivo by 19F-MRI/MRS. In-vivo 19F-MRI/MRS results were confirmed by ex-vivo 19F-NMR and flow cytometry. Results SP, Tact, and TOVA-act were successfully PFC-labeled in-vitro yielding 3x1011-1.4x1012 19F-atoms/cell in the 3 groups. Adoptively transferred 19F-labeled SP, TOVA-act, and Tact were detected by coil-localized 19F-MRS in the chest, abdomen, and left flank in most animals (corresponding to lungs, livers, and spleens, respectively, with highest signal-to-noise for SP vs TOVA-act and Tact, p<0.009 for both). SP and Tact were successfully imaged by 19F-MRI (n = 3; liver). These in-vivo data were confirmed by ex-vivo high-resolution 19F-NMR-spectroscopy. By flow cytometric analysis, however, TOVA-act tended to be more abundant versus SP and Tact (liver: p = 0.1313; lungs: p = 0.1073; spleen: p = 0.109). Unlike 19F-MRI/MRS, flow cytometry also identified transferred immune cells (SP, Tact, and TOVA-act) in the tumors. Conclusion SP, Tact, and TOVA-act were successfully PFC-labeled in-vitro and detected in-vivo by non-invasive 19F-MRS/MRI in liver, lung, and spleen. The portion of 19F-labeled T cells

  5. Rotation and Decay of the Dinuclear System Formed in Dissipative Reaction of 19F+27Al%19F+27Al耗散反应中双核系统的转动与衰变

    Institute of Scientific and Technical Information of China (English)

    韩建龙; 白真; 李志常; 路秀琴; 赵葵; 周平; 刘建成; Sergey Yu Kun; 王琦; 董玉川; 李松林; 段利敏; 吴和宇; 徐华根; 陈若富; 徐瑚珊

    2005-01-01

    测量了19F+27Al耗散反应产物B,C,N,O,F和Ne的激发函数,入射束流的能量从110.25MeV到118.75MeV,能量步长为250keV.用能量自关联函数方法从激发函数中提取了各反应产物的平均衰变宽度,利用同时考虑反应中所形成的中间双核系统的转动特性和衰变特性而发展了的Ericson核反应统计理论,讨论了19F+27Al耗散反应中双核系统随时间的演化过程.

  6. Angular Distribution of Products in Deep Inelastic Collision of 19F+27Al%19F+27Al深部非弹性碰撞产物的角分布

    Institute of Scientific and Technical Information of China (English)

    董玉川; 李志常; 路秀琴; 赵葵; 周平; 刘建成; Sergey Yu-Kun; 王琦; 李松林; 段利敏; 吴和宇; 徐华根; 陈若富; 徐瑚珊; 韩建龙

    2004-01-01

    完成了19F+27Al深部非弹性碰撞产物的角分布测量. 初步分析了反应产物B, C, N, O, F, Ne, Na, Mg和Al的实验室系角分布, 展现出深部非弹性反应机制的特点, 显示了反应系统随时间的演化过程.

  7. Nuclear magnetic resonance applied to the study of polymeric nano composites; Ressonancia magnetica nuclear aplicada do estudo de nanocompositos polimericos

    Energy Technology Data Exchange (ETDEWEB)

    Tavares, Maria Ines Bruno [Instituto de Macromoleculas Professora Eloisa Mano da Universidade Federal do Rio de Janeiro, UFRJ - RJ (Brazil)

    2011-07-01

    Polymers and nanoparticles based nano composites were prepared by intercalation by solution. The obtained nano composites were characterized mainly by the nuclear magnetic spectroscopy (NMR), applying the analysis of carbon-13 (polymeric matrix), silicon-29 (nanoparticle), and by determination of spin-lattice relaxation of the hydrogen nucleus (T{sub 1}H) (polymeric matrix). The NMR have presented a promising technique in the characterization of the nano charge dispersion in the studied polymeric matrixes.

  8. (129) Xe and (131) Xe nuclear magnetic dipole moments from gas phase NMR spectra.

    Science.gov (United States)

    Makulski, Włodzimierz

    2015-04-01

    (3) He, (129) Xe and (131) Xe NMR measurements of resonance frequencies in the magnetic field B0=11.7586 T in different gas phase mixtures have been reported. Precise radiofrequency values were extrapolated to the zero gas pressure limit. These results combined with new quantum chemical values of helium and xenon nuclear magnetic shielding constants were used to determine new accurate nuclear magnetic moments of (129) Xe and (131) Xe in terms of that of the (3) He nucleus. They are as follows: μ((129) Xe) = -0.7779607(158)μN and μ((131) Xe) = +0.6918451(70)μN . By this means, the new 'helium method' for estimations of nuclear dipole moments was successfully tested. Gas phase NMR spectra demonstrate the weak intermolecular interactions observed on the (3) He and (129) Xe and (131) Xe shielding in the gaseous mixtures with Xe, CO2 and SF6 .

  9. Preliminary study of the 19F(7Li,7Be)19O reaction at 52 MeV with MAGNEX

    CERN Document Server

    Cavallaro, M; Cappuzzello, F; Carbone, D; Foti, A; Orrigo, S E A; Rodrigues, M R D; Schillaci, M; Borello-Lewin, T; Petrascu, H

    2010-01-01

    The 19F(7Li,7Be)19O charge-exchange reaction at 52 MeV incident energy has been performed at INFN-LNS in Catania using the MAGNEX spectrometer. The use of an algebraic ray-reconstruction technique has allowed to extract the 19O excitation energy spectrum and the experimental angular distributions obtained with a single angular setting of the spectrometer.

  10. Multimodal Perfluorocarbon Nanoemulsions for 19F MRI, Ultrasonography, and Catalysis of MRgFUS-Mediated Drug Delivery

    Science.gov (United States)

    Rapoport, N.; Nam, K.-H.; Christensen, D. A.; Kennedy, A. M.; Parker, D. L.; Payne, A. H.; Todd, N.; Shea, J. E.; Scaife, C. L.

    2011-09-01

    Perfluorocarbon nanoemulsions can target lipophilic therapeutic agents to solid tumors and simultaneously provide for monitoring nanocarrier biodistribution via ultrasonography and/or 19F MRI. In the first generation of block copolymer stabilized perfluorocarbon nanoemulsions, perfluoropentane (PFP) was used as the droplet forming compound. Although manifesting excellent therapeutic and ultrasound imaging properties, PFP nanoemulsions were unstable at storage, difficult to handle, and underwent droplet-to-bubble transition upon injection that was hard to control. To solve the above problems, perfluoro-15-crown-5-ether (PFCE) was used as a core forming compound in the second generation of block copolymer stabilized perfluorocarbon nanoemulsions. In the present paper, acoustic, imaging, and therapeutic properties of unloaded and paclitaxel (PTX) loaded PFCE nanoemulsions are reported. The size of paclitaxel-loaded PFCE nanodroplets (300 nm to 500 nm depending on emulsification conditions) favors their passive accumulation in tumor tissue. PFCE nanodroplets manifest both ultrasound and 19F MR contrast properties, which allows the use of multimodal imaging to monitor nanodroplet biodistribution. Ultrasonography and 19F MRI produced consistent results on nanodroplet biodistribution. Sonication with 1-MHz therapeutic ultrasound triggered reversible droplet-to-bubble transition in PFCE nanoemulsions. Microbubbles formed by acoustic vaporization underwent stable cavitation. In a pilot study on ultrasound-mediated therapy of a large breast cancer tumor, paclitaxel-loaded PFCE nanoemulsions combined with 1-MHz ultrasound (MI≥1.75) showed excellent therapeutic properties. Anticipated mechanisms of the observed effects are discussed.

  11. Nuclear structure in strong magnetic fields: nuclei in the crust of a magnetar

    CERN Document Server

    Arteaga, Daniel Pena; Khan, Elias; Ring, Peter

    2011-01-01

    Covariant density functional theory is used to study the effect of strong magnetic fields, up to the limit predicted for neutron stars (for magnetars $B \\approx10^{18}$G), on nuclear structure. All new terms in the equation of motion resulting from time reversal symmetry breaking by the magnetic field and the induced currents, as well as axial deformation, are taken into account in a self-consistent fashion. For nuclei in the iron region of the nuclear chart it is found that fields in the order of magnitude of $10^{17}$G significantly affect bulk properties like masses and radii.

  12. Anomalous hyperfine coupling and nuclear magnetic relaxation in Weyl semimetals

    Science.gov (United States)

    Okvátovity, Zoltán; Simon, Ferenc; Dóra, Balázs

    2016-12-01

    The electron-nuclear hyperfine interaction shows up in a variety of phenomena including, e.g., NMR studies of correlated states and spin decoherence effects in quantum dots. Here we focus on the hyperfine coupling and the NMR spin relaxation time T1 in Weyl semimetals. Since the density of states in Weyl semimetals varies with the square of the energy around the Weyl point, a naive power counting predicts a 1 /T1T ˜E4 scaling, with E the maximum of temperature (T ) and chemical potential. By carefully investigating the hyperfine interaction between nuclear spins and Weyl fermions, we find that while its spin part behaves conventionally, its orbital part diverges unusually, with the inverse of the energy around the Weyl point. Consequently, the nuclear spin relaxation rate scales in a graphenelike manner as 1 /T1T ˜E2ln(E /ω0) , with ω0 the nuclear Larmor frequency. This allows us to identify an effective hyperfine coupling constant, which is tunable by gating or doping. This is relevant for the decoherence effect in spintronics devices and double quantum dots, where hyperfine coupling is the dominant source of spin-blockade lifting.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-07-01

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

  14. NMR at earth's magnetic field using para-hydrogen induced polarization.

    Science.gov (United States)

    Hamans, Bob C; Andreychenko, Anna; Heerschap, Arend; Wijmenga, Sybren S; Tessari, Marco

    2011-09-01

    A method to achieve NMR of dilute samples in the earth's magnetic field by applying para-hydrogen induced polarization is presented. Maximum achievable polarization enhancements were calculated by numerically simulating the experiment and compared to the experimental results and to the thermal equilibrium in the earth's magnetic field. Simultaneous 19F and 1H NMR detection on a sub-milliliter sample of a fluorinated alkyne at millimolar concentration (∼10(18) nuclear spins) was realized with just one single scan. A highly resolved spectrum with a signal/noise ratio higher than 50:1 was obtained without using an auxiliary magnet or any form of radio frequency shielding.

  15. Zero and Ultra-Low-Field Nuclear Magnetic Resonance Spectroscopy Via Optical Magnetometry

    Science.gov (United States)

    Blanchard, John Woodland

    Nuclear magnetic resonance (NMR) is among the most powerful analytical tools available to the chemical and biological sciences for chemical detection, characterization, and structure elucidation. NMR experiments are usually performed in large magnetic fields in order to maximize sensitivity and increase chemical shift resolution. However, the high magnetic fields required for conventional NMR necessitate large, immobile, and expensive superconducting magnets, limiting the use of the technique. New hyperpolarization and non-inductive detection methods have recently allowed for NMR measurements in the inverse regime of extremely low magnetic fields. Whereas a substantial body of research has been conducted in the high-field regime, taking advantage of the efficient coherent control afforded by a spectroscopy dominated by coupling to the spectrometer, the zero- and ultra-low-field (ZULF) regime has remained mostly unexplored. In this dissertation, we investigate the applicability of ZULF-NMR as a novel spectroscopic technique complimentary to high-field NMR. In particular, we consider various aspects of the ZULF-NMR experiment and the dynamics of nuclear spins under various local spin coupling Hamiltonians. We first survey zero-field NMR experiments on systems dominated by the electron-mediated indirect spin-spin coupling (J-coupling). The resulting J-spectra permit precision measurement of chemically relevant information due to the exquisite sensitivity of J-couplings to subtle changes in molecular geometry and electronic structure. We also consider the effects of weak magnetic fields and residual dipolar couplings in anisotropic media, which encode information about nuclear magnetic moments and geometry, and further resolve topological ambiguities by lifting degeneracies. By extending the understanding of the interactions that contribute to ZULF-NMR spectra, this work represents a significant advancement towards a complete description of zero- and ultra

  16. High Resolution Magic Angle Spinning Nuclear Magnetic Resonance (HRMAS NMR) for Studies of Reactive Fabrics

    Science.gov (United States)

    2015-11-01

    Magnetic Resonance (HRMAS NMR) for Studies of Reactive Fabrics 5a. CONTRACT NUMBER W911SR-11-C-0047 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER...ECBC-TR-1326 HIGH RESOLUTION MAGIC ANGLE SPINNING NUCLEAR MAGNETIC RESONANCE (HRMAS NMR) FOR STUDIES OF REACTIVE FABRICS David J. McGarvey...unlimited. 13. SUPPLEMENTARY NOTES 14. ABSTRACT An analytical chemistry method is described for measuring the reactivity and permeation of

  17. Thick Target Yield Measurement for PAC Probe Producing Reaction Mo (19F, xn)111In

    Institute of Scientific and Technical Information of China (English)

    ZHENGYong-nan; ZHOUDong-mei; DUEn-peng; YUANDa-qing; ZUOYi; CHENXiong-jun; WUXiao-guang; CUIBao-qun; ZHUSheng-yun

    2003-01-01

    Perturbed angular correlation (PAC) directly determines the hyperfine interaction acting on the PAC probe nuclei, which is a sensitive and precise method for microscopic analysis on an atomic scale, 111Cd is the most frequently used PAC probe nuclei, the mother nuclei of which is 111In. The on-line isotope separator (ISOL) based on the HI-13 tandem accelerator is being developed at China Institute of Atomic Energy, which produces the radioactive nuclear beams for the on-line PAC measurements.

  18. Monte Carlo Simulation of Adiabatic Cooling and Nuclear Magnetism

    DEFF Research Database (Denmark)

    Lindgård, Per-Anker; Viertiö, H. E.; Mouritsen, Ole G.

    1988-01-01

    constant-temperature or constant-magnetic-field quenches into the antiferromagnetic phase is found at late times to obey the classical Allen-Cahn growth law. The qualitative features of isentropic quenches and the nonequilibrium ordering phenomena during controlled heating treatments at constant rate...

  19. High-pass bird-cage coil for nuclear-magnetic resonance

    Science.gov (United States)

    Watkins, Joel C.; Fukushima, Eiichi

    1988-06-01

    Cylindrical bird-cage coils generate uniform magnetic fields transverse to the cylinder axis for use in the large sample nuclear-magnetic resonance (NMR) experiments. We describe the design and construction of an eight-rung high-pass bird-cage coil to operate at 80 MHz in a cylindrical bore of a superconducting magnet. The coil is 12.7 cm in diameter by 30.5 cm long and has a 7-cm-diam region in the center where the field intensity is within 10% of the average.

  20. Analytical model for relativistic corrections to the nuclear magnetic shielding constant in atoms

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Rodolfo H. [Facultad de Ciencias Exactas, Universidad Nacional del Nordeste, Avenida Libertad 5500 (3400), Corrientes (Argentina)]. E-mail: rhromero@exa.unne.edu.ar; Gomez, Sergio S. [Facultad de Ciencias Exactas, Universidad Nacional del Nordeste, Avenida Libertad 5500 (3400), Corrientes (Argentina)

    2006-04-24

    We present a simple analytical model for calculating and rationalizing the main relativistic corrections to the nuclear magnetic shielding constant in atoms. It provides good estimates for those corrections and their trends, in reasonable agreement with accurate four-component calculations and perturbation methods. The origin of the effects in deep core atomic orbitals is manifestly shown.

  1. In vivo imaging of the rat anatomy with nuclear magnetic resonance.

    Science.gov (United States)

    Hansen, G; Crooks, L E; Davis, P; De Groot, J; Herfkens, R; Margulis, A R; Gooding, C; Kaufman, L; Hoenninger, J; Arakawa, M; McRee, R; Watts, J

    1980-09-01

    Live rats were imaged by nuclear magnetic resonance (NMR). These images demonstrated fine detail and high object contrast. Motion artifacts are not apparent in 4-minute images, and major blood vessels are demonstrated as regions of low signal intensity because of blood flow. Selective contrast enhancement is possible by varying NMR imager accumulation parameters.

  2. A New Density Operator Formalism for Describing Nuclear Magnetic Resonance Experiments

    Institute of Scientific and Technical Information of China (English)

    林东海; 吴钦义

    1994-01-01

    A density operator formalism has been proposed to describe the evolution of two-spin-1/2 systems in nuclear magnetic resonance experiments:The formalism is particularly convenient and has distinct physical meaning for describing the evolution of spin systems under the Hamiltonian containing non-commutable terms. Some examples are presented to demonstrate the new formalism.

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

    NARCIS (Netherlands)

    VanDenThillart, G; VanWaarde, A

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-06-14

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

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

    Institute of Scientific and Technical Information of China (English)

    杨保联; 冯继文; 周建威; 李丽云; 叶朝辉

    1999-01-01

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

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

    NARCIS (Netherlands)

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

    2004-01-01

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

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

    DEFF Research Database (Denmark)

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

    Nuclear magnetic resonance (NMR) has proven a good technique for measuring pore size distribution in reservoir rocks. The use of low field NMR together with sonic and electrical resistivity measurements, can contribute to illustrate the effect of adsorbing ions on chalk elasticity. NMR is useful...

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

    DEFF Research Database (Denmark)

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

    2001-01-01

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

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

    DEFF Research Database (Denmark)

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

    2013-01-01

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

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

    Science.gov (United States)

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

  11. Remote detection of nuclear magnetic resonance with an anisotropic magnetoresistive sensor.

    Science.gov (United States)

    Verpillat, F; Ledbetter, M P; Xu, S; Michalak, D J; Hilty, C; Bouchard, L-S; Antonijevic, S; Budker, D; Pines, A

    2008-02-19

    We report the detection of nuclear magnetic resonance (NMR) using an anisotropic magnetoresistive (AMR) sensor. A "remote-detection" arrangement was used in which protons in flowing water were prepolarized in the field of a superconducting NMR magnet, adiabatically inverted, and subsequently detected with an AMR sensor situated downstream from the magnet and the adiabatic inverter. AMR sensing is well suited for NMR detection in microfluidic "lab-on-a-chip" applications because the sensors are small, typically on the order of 10 mum. An estimate of the sensitivity for an optimized system indicates that approximately 6 x 10(13) protons in a volume of 1,000 mum(3), prepolarized in a 10-kG magnetic field, can be detected with a signal-to-noise ratio of 3 in a 1-Hz bandwidth. This level of sensitivity is competitive with that demonstrated by microcoils in superconducting magnets and with the projected sensitivity of microfabricated atomic magnetometers.

  12. Origin of the magnetic-field dependence of the nuclear spin-lattice relaxation in iron

    CERN Document Server

    Seewald, G; Körner, H J; Borgmann, D; Dietrich, M

    2008-01-01

    The magnetic-field dependence of the nuclear spin-lattice relaxation at Ir impurities in Fe was measured for fields between 0 and 2 T parallel to the [100] direction. The reliability of the applied technique of nuclear magnetic resonance on oriented nuclei was demonstrated by measurements at different radio-frequency (rf) field strengths. The interpretation of the relaxation curves, which used transition rates to describe the excitation of the nuclear spins by a frequency-modulated rf field, was confirmed by model calculations. The magnetic-field dependence of the so-called enhancement factor for rf fields, which is closely related to the magnetic-field dependence of the spin-lattice relaxation, was also measured. For several magnetic-field-dependent relaxation mechanisms, the form and the magnitude of the field dependence were derived. Only the relaxation via eddy-current damping and Gilbert damping could explain the observed field dependence. Using reasonable values of the damping parameters, the field depe...

  13. The magnetic field dependence of cross-effect dynamic nuclear polarization under magic angle spinning

    Energy Technology Data Exchange (ETDEWEB)

    Mance, Deni; Baldus, Marc, E-mail: m.baldus@uu.nl [NMR Spectroscopy, Bijvoet Center for Biomolecular Research, Department of Chemistry, Faculty of Science, Utrecht University, 3584 CH Utrecht (Netherlands); Gast, Peter; Huber, Martina [Department of Physics, Huygens-Kamerlingh Onnes Laboratory, Leiden University, PO Box 9504, 2300 RA Leiden (Netherlands); Ivanov, Konstantin L., E-mail: ivanov@tomo.nsc.ru [International Tomography Center, Siberian Branch of the Russian Academy of Science, Institutskaya 3a, Novosibirsk 630090, Russia and Novosibirsk State University, Pirogova 2, Novosibirsk 63009 (Russian Federation)

    2015-06-21

    We develop a theoretical description of Dynamic Nuclear Polarization (DNP) in solids under Magic Angle Spinning (MAS) to describe the magnetic field dependence of the DNP effect. The treatment is based on an efficient scheme for numerical solution of the Liouville-von Neumann equation, which explicitly takes into account the variation of magnetic interactions during the sample spinning. The dependence of the cross-effect MAS-DNP on various parameters, such as the hyperfine interaction, electron-electron dipolar interaction, microwave field strength, and electron spin relaxation rates, is analyzed. Electron spin relaxation rates are determined by electron paramagnetic resonance measurements, and calculations are compared to experimental data. Our results suggest that the observed nuclear magnetic resonance signal enhancements provided by MAS-DNP can be explained by discriminating between “bulk” and “core” nuclei and by taking into account the slow DNP build-up rate for the bulk nuclei.

  14. Nuclear Spin Dependent Parity Violation in Diatomic Molecules

    Science.gov (United States)

    Altuntas, Emine; Cahn, Sidney; Demille, David

    2016-09-01

    Nuclear spin-dependent parity violation (NSD-PV) effects arise from exchange of the Z0 boson between electrons and the nucleus, and from interaction of electrons with the nuclear anapole moment, a parity-odd magnetic moment. The latter scales with nucleon number of the nucleus A as A2/3 , whereas the Z0 coupling is independent of A. Thus the former is the dominant source of NSD-PV for nuclei with A >= 20 . We study NSD-PV effects using diatomic molecules, where signals are dramatically amplified by bringing rotational levels of opposite parity close to degeneracy in a strong magnetic field. The NSD-PV interaction matrix element is measured using a Stark-interference technique. We present results that demonstrate statistical sensitivity to NSD-PV effects surpassing that of any previous atomic parity violation measurement, using the test system 138Ba19F. We report our progress on measuring and cancelling systematic effects due to combination of non-reversing stray E-fields, Enr with B-field inhomogeneities. Short-term prospects for measuring the nuclear anapole moment of 137Ba19F are discussed. In the long term, our technique is sufficiently general and sensitive to enable measurements across a broad range of nuclei.

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

    Science.gov (United States)

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

    2010-02-01

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

  16. Statistical significance of non-reproducibility of cross sections measured in dissipative reactions 19F+93Nb

    Institute of Scientific and Technical Information of China (English)

    DONG Yu-Chuan; JIANG Hua; HU Gui-Qing; WANG Qi; LI Song-Lin; TIAN Wen-Dong; LI Zhi-Chang; LU Xiu-Qin; ZHAO Kui; FU Chang-Bo; LIU Jian-Cheng

    2004-01-01

    Two independent measurements of cross sections for the 19F+93Nb dissipative heavy-ion collision (DHIC) have been performed at incident energies from 100 to 108 MeV in steps of 250 keV. Two independently prepared targets were used respectively with all other experimental conditions being identical in both experiments. The data indicate non-reproducibility of the non-self-averaging oscillation yields in the two measurements. The statistical analysis of this non-reproducibility supports recent theoretical predictions of spontaneous coherence, slow phase randomization and extreme sensitivity in highly excited quantum many-body systems.

  17. Langevin study of neutron emission in the reactions 16O+181Ta and 19F+178Hf

    Institute of Scientific and Technical Information of China (English)

    YE Wei; WU Feng; YANG Hong-Wei

    2008-01-01

    The pre-scission neutrons measured in the reactions 16O+181Ta and 19F+178Hf are studied via a Langevin equation coupled with a statistical decay model.We find that because of the mass asymmetry of different entrance channels,the spin distributions of compound nuclei would be different,consequently,the measured neutrons in these two reactions would also different.This means that the entrance channel will affect the particle emission in the fission process of hot nuclei.

  18. High-resolution and high-temperature {sup 19} F MAS NMR study of fluorozirconate glasses and liquids

    Energy Technology Data Exchange (ETDEWEB)

    Youngman, R.E.; Sem, S. [Corning Inc., NY (United States)

    2000-07-01

    This paper reports the first results of a high-resolution and high-temperature {sup 19}F MAS NMR spectroscopic study of the atomic structure and its temperature dependence in two binary Zr F{sub 4} (Z B) glasses with 62 and 70 mol % Zr F{sub 4} and a multicomponent ZBLAN (51.7% Zr-F{sub 4}-20.7% Ba F{sub 2}-4.5% La F{sub 3}-3.4% Al F{sub 3}-19.7% Na F) glass.

  19. Detection and differentiation of neutral organic compounds by 19F NMR with a tungsten calix[4]arene imido complex.

    Science.gov (United States)

    Zhao, Yanchuan; Swager, Timothy M

    2013-12-18

    Fluorinated tungsten calix[4]arene imido complexes were synthesized and used as receptors to detect and differentiate neutral organic compounds. It was found that the binding of specific neutral organic molecules to the tungsten centers induces an upfield shift of the fluorine atom appended on the arylimido group, the extent of which is highly dependent on electronic and steric properties. We demonstrate that the specific bonding and size-selectivity of calix[4]arene tungsten-imido complex combined with (19)F NMR spectroscopy is a powerful new method for the analysis of complex mixtures.

  20. Nuclear Magnetic Resonance Quantum Computing Using Liquid Crystal Solvents

    CERN Document Server

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

    1999-01-01

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

  1. Nuclear magnetic resonance on selected lithium based compounds

    Energy Technology Data Exchange (ETDEWEB)

    Rudisch, Christian

    2013-11-26

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

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

    DEFF Research Database (Denmark)

    Frank, V

    1962-01-01

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

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

    Science.gov (United States)

    Borisjuk, Ljudmilla; Rolletschek, Hardy; Neuberger, Thomas

    2013-10-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-01-22

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

  5. Magnetic field effect on nuclear shell structure and implications to physics of neutron stars

    Energy Technology Data Exchange (ETDEWEB)

    Kondratyev, V.N.; Maruyama, Toshiki; Chiba, Satoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1999-12-01

    The effect of the magnetic field on the shell structure of nuclei is considered by employing the shell-correction method. The shift of a phase in shell-oscillations is shown to represent the main feature of the field effect. Such a phase-change is originating from the Pauli-magnetic response associated with the relative shift of spin-up and spin-down energy levels. The neutron shell-correction energy behaves almost periodically as a function of the field strength with a slightly enhanced amplitude of the shell-oscillations at a large field. The period of the sign change is determined by the energy difference between neighbour levels. The proton shell-correction energy displays an anomalous dependence on the field. The proton orbital magnetism enhances the nuclear shell effect especially when the field influence is comparable to the spin-orbit coupling. The nuclear magic numbers are demonstrated to depend considerably on the magnetic field on the strength scale B {approx} 10{sup 16} - 10{sup 17} G relevant for neutron stars and supernovas. Such a field is found to shift significantly nuclear magics of the iron region towards smaller mass numbers. (author)

  6. Experimental quantum simulation of Avian Compass in a nuclear magnetic resonance system

    Science.gov (United States)

    Pearson, Jason; Feng, GuanRu; Zheng, Chao; Long, GuiLu

    2016-12-01

    Avian magnetoreception is the capacity for avians to sense the direction of the Earth's magnetic field. Discovered more than forty years ago, it has attracted intensive studies over the years. One promising model for describing this capacity in avians is the widely used reference-and-probe model where radical pairs within the eyes of bird combines to form singlet and triplet quantum states. The yield depends on the angle between the Earth's magnetic field and the molecules' axis, hence the relative value of yield of the singlet state or triplet state enables avians to sense the direction. Here we report the experimental demonstration of avian magnetoreception in a nuclear magnetic resonance quantum information processor. It is shown clearly from the experiment that the yield of the singlet state attains maximum when it is normal to the Earth's magnetic field, and the experimental results agree with theory very well.

  7. Nuclear magnetic resonance system with continuous flow of polarized water to obtain the traceability to static magnetic fields; Sistema de ressonancia magnetica nuclear com fluxo continuo de agua polarizada para obtencao da rastreabilidade para campos magneticos estaticos

    Energy Technology Data Exchange (ETDEWEB)

    Martin, Ramon Valls; Nazarre, Diego Joriro, E-mail: ramon@ipt.br [Instituto de Pesquisas Tecnologicas (IPT), Sao Paulo, SP (Brazil)

    2013-07-01

    We have developed a system to obtain the traceability of field or magnetic induction intensity in the range of 2 μT up to 2 T, even in the presence of magnetic field gradients or noisy environments. The system is based on a nuclear magnetic resonance magnetometer, built in streaming water. The calibration procedure of a coil for magnetic field generation is described, as well as the results obtained and the estimated uncertainty (author)

  8. Development of nuclear magnetic and quadrupole resonance spectroscopy under 10 GPa class pressure

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, R; Uchida, Y; Hirayama, K; Yamazaki, T; Fukazawa, H; Kohori, Y [Department of Physics, Graduate School of Science, Chiba University, Chiba 263-8522 (Japan); Takeshita, N, E-mail: hideto@nmr.s.chiba-u.ac.j [JST, TRIP, Chiyoda-ku, Tokyo 102-0075 (Japan)

    2010-03-01

    The high pressure nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) are conventionally performed up to 3 GPa using piston cylinder cell. However, the NMR/NQR measurements beyond this pressure range are scarcely performed owing to the technical difficulty. Recently, we developed new high pressure NMR/NQR technique using cubic anvil apparatus in which highly hydrostatic pressure was obtained. Using the new method, the {sup 63}Cu-NQR signal of Cu{sub 2}O was observed up to 7.2GPa with high sensitivity. The use of MgO gasket in mini-cubic anvil apparatus was examined for enlarging pressure range.

  9. Four-component relativistic theory for nuclear magnetic shielding: magnetically balanced gauge-including atomic orbitals.

    Science.gov (United States)

    Cheng, Lan; Xiao, Yunlong; Liu, Wenjian

    2009-12-28

    It is recognized only recently that the incorporation of the magnetic balance condition is absolutely essential for four-component relativistic theories of magnetic properties. Another important issue to be handled is the so-called gauge problem in calculations of, e.g., molecular magnetic shielding tensors with finite bases. It is shown here that the magnetic balance can be adapted to distributed gauge origins, leading to, e.g., magnetically balanced gauge-including atomic orbitals (MB-GIAOs) in which each magnetically balanced atomic orbital has its own local gauge origin placed on its center. Such a MB-GIAO scheme can be combined with any level of theory for electron correlation. The first implementation is done here at the coupled-perturbed Dirac-Kohn-Sham level. The calculated molecular magnetic shielding tensors are not only independent of the choice of gauge origin but also converge rapidly to the basis set limit. Close inspections reveal that (zeroth order) negative energy states are only important for the expansion of first order electronic core orbitals. Their contributions to the paramagnetism are therefore transferable from atoms to molecule and are essentially canceled out for chemical shifts. This allows for simplifications of the coupled-perturbed equations.

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

    CERN Document Server

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

    2015-01-01

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

  11. Superfluorinated PEI Derivative Coupled with (99m) Tc for ASGPR Targeted (19) F MRI/SPECT/PA Tri-Modality Imaging.

    Science.gov (United States)

    Guo, Zhide; Gao, Mengna; Song, Manli; Li, Yesen; Zhang, Deliang; Xu, Duo; You, Linyi; Wang, Liangliang; Zhuang, Rongqiang; Su, Xinhui; Liu, Ting; Du, Jin; Zhang, Xianzhong

    2016-07-01

    Fluorinated polyethylenimine derivative labeled with radionuclide (99m) Tc is developed as a (19) F MRI/SPECT/PA multifunctional imaging agent with good asialoglycoprotein receptors (ASGPR)-targeting ability. This multifunctional agent is safe and suitable for (19) F MRI/SPECT/PA imaging and has the potential to detect hepatic diseases and to assess liver function, which provide powerful support for the development of personalized and precision medicine.

  12. Generation of low-frequency electric and magnetic fields during large- scale chemical and nuclear explosions

    Energy Technology Data Exchange (ETDEWEB)

    Adushkin, V.V. [Academy of Sciences, Moscow (Russian Federation). Inst. for Dynamics of the Geospheres; Dubinya, V.A.; Karaseva, V.A.; Soloviev, S.P.; Surkov, V.V. [Lawrence Livermore National Lab., CA (United States)

    1995-06-01

    We discuss the main parameters of the electric field in the surface layer of the atmosphere and the results of the investigations of the natural electric field variations. Experimental investigations of the electromagnetic field for explosions in air are presented. Electromagnetic signals generated by underground nuclear and chemical explosions are discussed and explosions for 1976--1991 are listed. Long term anomalies of the earth`s electromagnetic field in the vicinity of underground explosions were also investigated. Study of the phenomenon of the irreversible shock magnetization showed that in the zone nearest to the explosion the quasistatic magnetic field decreases in inverse proportion to the distance.

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

    CERN Document Server

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

    2016-01-01

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

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

    KAUST Repository

    Bouhrara, M.

    2013-01-01

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

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

    CERN Document Server

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

    2016-01-01

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

  16. 19F+27Al反应产物的角分布、角分散与耗散机制%Angular Distributions and Angular Dispersions of the Dissipative Products in 19F+27Al Reaction

    Institute of Scientific and Technical Information of China (English)

    董玉川; 李志常; 路秀琴; 赵葵; 周平; 刘建成; Sergey Yu Kun; 王琦; 李松林; 段利敏; 吴和宇; 徐华根; 陈若富; 徐瑚珊; 韩建龙

    2005-01-01

    完成了114MeV 19F+27Al深部非弹性碰撞产物的角分布测量. 分析了反应产物B,C,N,O,F,Ne,Na,Mg和Al的实验室系角分布,讨论了反应形成的中间双核系统随时间演化过程中角分布所表现出的耗散特点. 从实验上提取了反应产物各元素的角分散参数并作了角分散参数的理论拟合,讨论了角分散参数的物理意义以及角分散参数与耗散反应产物的电荷数Z之间的依赖关系.

  17. Rotation and Deformation of the Dinuclear System Formed in Dissipative Reaction of 19F+27Al%19F+27Al耗散反应中双核系统的转动与形变

    Institute of Scientific and Technical Information of China (English)

    韩建龙; 王琦; 董玉川; 李松林; 段利敏; 吴和宇; 徐华根; 陈若富; 徐瑚珊; 白真; 李志常; 路秀琴; 赵葵; 周平; 刘建成; SergeyYuKun

    2006-01-01

    测量了19F+27Al耗散反应产物B,C,N,O,F和Ne的激发函数,入射束流的能量从110.25MeV到118.75MeV,能量步长为250keV.从产物的能量自关联函数中提取了反应中所形成的中间双核系统的转动惯量,与相粘模型计算的刚体转动惯量相比较,结果表明形成的双核系统有大的形变.

  18. 19F+27Al耗散反应产物激发函数的长程关联%Long-range Correlation of Excitation Functions in Dissipative Heavy Ion Collision of 19F+27Al

    Institute of Scientific and Technical Information of China (English)

    韩建龙; 王琦; 白真; 董玉川; 李松林; 段利敏; 徐瑚珊; 徐华根; 陈若富; 吴和宇; 李志常; 路秀琴; 赵葵; 周平; 刘建成; 许国基; Sergey Yu Kun

    2008-01-01

    在中国原子能科学研究院的HI- 13串列静电加速器上完成了19F+27Al耗散反应产物的激发函数测量.束流19F的入射能量从110.25 MeV到118.75 MeV, 步长250 keV, 测量了实验室系+57°, +31°, -15°和-29°出射的类弹产物B, C, N, O, F和Ne的激发函数.观测到激发函数具有耗散反应的特征涨落结构, 分析了激发函数之间的长程角度关联以及强烈的电荷数关联.

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

    Science.gov (United States)

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

    1989-01-01

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

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

    Science.gov (United States)

    Roberts, Jody A

    2003-05-01

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

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

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

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

  2. Use of Nuclear Spin Noise Spectroscopy to Monitor Slow Magnetization Buildup at Millikelvin Temperatures

    Science.gov (United States)

    Pöschko, Maria Theresia; Peat, David; Owers‐Bradley, John

    2016-01-01

    Abstract At ultralow temperatures, longitudinal nuclear magnetic relaxation times become exceedingly long and spectral lines are very broad. These facts pose particular challenges for the measurement of NMR spectra and spin relaxation phenomena. Nuclear spin noise spectroscopy is used to monitor proton spin polarization buildup to thermal equilibrium of a mixture of glycerol, water, and copper oxide nanoparticles at 17.5 mK in a static magnetic field of 2.5 T. Relaxation times determined in such a way are essentially free from perturbations caused by excitation radiofrequency pulses, radiation damping, and insufficient excitation bandwidth. The experimental spin‐lattice relaxation times determined on resonance by saturation recovery with spin noise detection are consistently longer than those determined by using pulse excitation. These longer values are in better accordance with the expected field dependence trend than those obtained by on‐resonance experiments with pulsed excitation. PMID:27305629

  3. Transition-Selective Pulses in Zero-Field Nuclear Magnetic Resonance.

    Science.gov (United States)

    Sjolander, Tobias F; Tayler, Michael C D; King, Jonathan P; Budker, Dmitry; Pines, Alexander

    2016-06-30

    We use low-amplitude, ultralow frequency pulses to drive nuclear spin transitions in zero and ultralow magnetic fields. In analogy to high-field NMR, a range of sophisticated experiments becomes available as these allow narrow-band excitation. As a first demonstration, pulses with excitation bandwidths 0.5-5 Hz are used for population redistribution, selective excitation, and coherence filtration. These methods are helpful when interpreting zero- and ultralow-field NMR spectra that contain a large number of transitions.

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

    Institute of Scientific and Technical Information of China (English)

    闫永彬; 罗雪春; 周海梦; 张日清

    2001-01-01

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

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

    Institute of Scientific and Technical Information of China (English)

    LIU WenZhang; ZHANG JingFu; LONG GuiLu

    2009-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-08-01

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

  7. Nuclear magnetic resonance study of changes induced by the energy of ultrasonic field in the lungs.

    Science.gov (United States)

    Gaită, A; Andru-Vangheli, D; Nagy, I; Coman, M; Covlescu, H

    156 laboratory mice were exposed to ultrasonic (US) waves under 12 different conditions. After exposure to ultrasounds, the left lung of each animal was studied morphopathologically and then analysed by nuclear magnetic resonance (NMR) spectroscopy. The study emphasized the possibility of hemorrhagical lesions in the lung through US and the fact that both measurement techniques (for T1 and T2) are alike in sensitivity. The effect on the lung is depending on the intensity and time of exposure to US.

  8. Self-energy Effects on Nuclear Magnetic Resonance Parameters within Quantum Electrodynamics Perturbation Theory

    Directory of Open Access Journals (Sweden)

    Gustavo A. Aucar

    2002-08-01

    Full Text Available Abstract: A theory for the calculation of self-energy corrections to the nuclear magnetic parameters is given in this paper. It is based on the S-matrix formulation of bound-state quantum electrodynamics (QED. Explicit expressions for the various terms of the S-matrix are given. The interpretation of the self-energy, one- and two-vertex terms and some perspective for possible future developments are discussed.

  9. Glass transition temperatures of epoxy resins by pulsed nuclear magnetic resonance spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Rutenberg, A.C.; Dorsey, G.F.; Peck, C.G.

    1976-04-21

    Pulsed nuclear magnetic resonance spectroscopy has been used to measure the glass transition temperatures of cured epoxy resins. These measurements make it possible to monitor the cure and determine the glass transition temperature as a function of the curing conditions and the concentration of the components. Knowledge of the glass transition temperature of the cured epoxies allows screening of them for a number of uses, including adhesives and coatings operations.

  10. Simulating decoherence behavior of a system in entangled state using nuclear magnetic resonance

    CERN Document Server

    Zhang, J; Shan, L; Deng, Z; Zhang, Jingfu; Lu, Zhiheng; Shan, Lu; Deng, Zhiwei

    2002-01-01

    By choosing H nucleus in Carbon-13 labelled trichloroethylene as one qubit environment, and two C nuclei as a two-qubit system, we have simulated quantum decoherence when the system lies in an entangled state using nuclear magnetic resonance (NMR). Decoupling technique is used to trace over the environment degrees of freedom. Experimental results show agreements with the theoretical predictions. Our experiment scheme can be generalized to the case that environment is composed of multiple qubits.

  11. NMR absolute shielding scale and nuclear magnetic dipole moment of (207)Pb.

    Science.gov (United States)

    Adrjan, Bożena; Makulski, Włodzimierz; Jackowski, Karol; Demissie, Taye B; Ruud, Kenneth; Antušek, Andrej; Jaszuński, Michał

    2016-06-28

    An absolute shielding scale is proposed for (207)Pb nuclear magnetic resonance (NMR) spectroscopy. It is based on ab initio calculations performed on an isolated tetramethyllead Pb(CH3)4 molecule and the assignment of the experimental resonance frequency from the gas-phase NMR spectra of Pb(CH3)4, extrapolated to zero density of the buffer gas to obtain the result for an isolated molecule. The computed (207)Pb shielding constant is 10 790 ppm for the isolated molecule, leading to a shielding of 10799.7 ppm for liquid Pb(CH3)4 which is the accepted reference standard for (207)Pb NMR spectra. The new experimental and theoretical data are used to determine μ((207)Pb), the nuclear magnetic dipole moment of (207)Pb, by applying the standard relationship between NMR frequencies, shielding constants and nuclear moments of two nuclei in the same external magnetic field. Using the gas-phase (207)Pb and (reference) proton results and the theoretical value of the Pb shielding in Pb(CH3)4, we find μ((207)Pb) = 0.59064 μN. The analysis of new experimental and theoretical data obtained for the Pb(2+) ion in water solutions provides similar values of μ((207)Pb), in the range of 0.59000-0.59131 μN.

  12. Nuclear magnetic shielding constants of liquid water: Insights from hybrid quantum mechanics/molecular mechanics models

    Science.gov (United States)

    Kongsted, Jacob; Nielsen, Christian B.; Mikkelsen, Kurt V.; Christiansen, Ove; Ruud, Kenneth

    2007-01-01

    We present a gauge-origin independent method for the calculation of nuclear magnetic shielding tensors of molecules in a structured and polarizable environment. The method is based on a combination of density functional theory (DFT) or Hartree-Fock wave functions with molecular mechanics. The method is unique in the sense that it includes three important properties that need to be fulfilled in accurate calculations of nuclear magnetic shielding constants: (i) the model includes electron correlation effects, (ii) the model uses gauge-including atomic orbitals to give gauge-origin independent results, and (iii) the effect of the environment is treated self-consistently using a discrete reaction-field methodology. The authors present sample calculations of the isotropic nuclear magnetic shielding constants of liquid water based on a large number of solute-solvent configurations derived from molecular dynamics simulations employing potentials which treat solvent polarization either explicitly or implicitly. For both the O17 and H1 isotropic shielding constants the best predicted results compare fairly well with the experimental data, i.e., they reproduce the experimental solvent shifts to within 4ppm for the O17 shielding and 1ppm for the H1 shielding.

  13. Nuclear magnetic shielding constants of liquid water: insights from hybrid quantum mechanics/molecular mechanics models.

    Science.gov (United States)

    Kongsted, Jacob; Nielsen, Christian B; Mikkelsen, Kurt V; Christiansen, Ove; Ruud, Kenneth

    2007-01-21

    We present a gauge-origin independent method for the calculation of nuclear magnetic shielding tensors of molecules in a structured and polarizable environment. The method is based on a combination of density functional theory (DFT) or Hartree-Fock wave functions with molecular mechanics. The method is unique in the sense that it includes three important properties that need to be fulfilled in accurate calculations of nuclear magnetic shielding constants: (i) the model includes electron correlation effects, (ii) the model uses gauge-including atomic orbitals to give gauge-origin independent results, and (iii) the effect of the environment is treated self-consistently using a discrete reaction-field methodology. The authors present sample calculations of the isotropic nuclear magnetic shielding constants of liquid water based on a large number of solute-solvent configurations derived from molecular dynamics simulations employing potentials which treat solvent polarization either explicitly or implicitly. For both the (17)O and (1)H isotropic shielding constants the best predicted results compare fairly well with the experimental data, i.e., they reproduce the experimental solvent shifts to within 4 ppm for the (17)O shielding and 1 ppm for the (1)H shielding.

  14. (83)Kr nuclear magnetic moment in terms of that of (3)He.

    Science.gov (United States)

    Makulski, Włodzimierz

    2014-08-01

    High resolution NMR spectroscopy was applied to precisely determine the (83)Kr nuclear magnetic dipole moment on the basis of new results available for nuclear magnetic shielding in krypton and helium-3 atoms. Small amounts of (3)He as the solutes and (83)Kr as the buffer gas were observed in (3)He and (83)Kr NMR spectra at the constant external field, B0 = 11.7578 T. In each case, the resonance frequencies (ν(He) and ν(Kr)) were linearly dependent on the density of gaseous solvent. The extrapolation of experimental points to the zero density of gaseous krypton allowed for the evaluation of both resonance frequencies free from intermolecular interactions. By combining these measurements with the recommended (83)Kr chemical shielding value, the nuclear magnetic moment could be determined with much better precision than ever before, μ((83)Kr) = -0.9707297(32)μN, with the improvement due to the greater accuracy of the spectral data.

  15. Bohr-Weisskopf effect influence of the distributed nuclear magnetization on hfs

    CERN Document Server

    Stroke, Hinko Henry; Pinard, J

    2000-01-01

    Nuclear magnetic moments provide a sensitive test of nuclear wave functions, in particular those of neutrons, which are not readily obtainable from other nuclear data. These are taking added importance by recent proposals to study parity non-conservation (PNC) effects in alkali atoms in isotopic series. By taking ratios of the PNC effects in pairs of isotopes, uncertainties in the atomic wave functions are largely cancelled out at the cost of knowledge of the change in the neutron wave function, the Bohr-Weisskopf effect (1950) in the hyperfine structure interaction of atoms measures the influence of the spatial distribution of the nuclear magnetization, and thereby provides an additional constraint on the determination of the neutron wave function. The added great importance of B-W in the determination of QED effects from the hfs in hydrogen-like ions of heavy elements, as measured recently at GSI, is noted, the B-W experiments require precision measurements of the hfs interactions and, independently, of the...

  16. Nuclear magnetic biosignatures in the carbonaceous matter of ancient cherts: comparison with carbonaceous meteorites.

    Science.gov (United States)

    Gourier, Didier; Delpoux, Olivier; Binet, Laurent; Vezin, Hervé

    2013-10-01

    The search for organic biosignatures is motivated by the hope of understanding the conditions of emergence of life on Earth and the perspective of finding traces of extinct life in martian sediments. Paramagnetic radicals, which exist naturally in amorphous carbonaceous matter fossilized in Precambrian cherts, were used as local structural probes and studied by electron paramagnetic resonance (EPR) spectroscopy. The nuclear magnetic resonance transitions of elements inside and around these radicals were detected by monitoring the nuclear modulations of electron spin echo in pulsed EPR. We found that the carbonaceous matter of fossilized microorganisms with age up to 3.5 billion years gives specific nuclear magnetic signatures of hydrogen (¹H), carbon (¹³C), and phosphorus (³¹P) nuclei. We observed that these potential biosignatures of extinct life are found neither in the carbonaceous matter of carbonaceous meteorites (4.56 billion years), the most ancient objects of the Solar System, nor in any carbonaceous matter resulting from carbonization of organic and bioorganic precursors. These results indicate that these nuclear signatures are sensitive to thermal episodes and can be used for Archean cherts with metamorphism not higher than the greenschist facies.

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

    Institute of Scientific and Technical Information of China (English)

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

    2005-01-01

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

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

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

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

  19. Correction of environmental magnetic fields for the acquisition of Nuclear magnetic relaxation dispersion profiles below Earth's field

    Science.gov (United States)

    Zampetoulas, Vasileios; Lurie, David J.; Broche, Lionel M.

    2017-09-01

    T1 relaxation times can be measured at a range of magnetic field strengths by Fast Field-Cycling (FFC) NMR relaxometry to provide T1-dispersion curves. These are valuable tools for the investigation of material properties as they provide information about molecular dynamics non-invasively. However, accessing information at fields below 230 μT (10 kHz proton Larmor frequency) requires careful correction of unwanted environmental magnetic fields. In this work a novel method is proposed that compensates for the environmental fields on a FFC-NMR relaxometer and extends the acquisition of Nuclear Magnetic Relaxation Dispersion profiles to 2.3 μT (extremely low field region), with direct application in the study of slow molecular motions. Our method is an improvement of an existing technique, reported by Anoardo and Ferrante in 2003, which exploits the non-adiabatic behaviour of the magnetisation in rapidly-varying magnetic fields and makes use of the oscillation of the signal amplitude to estimate the field strength. This increases the accuracy in measuring the environmental fields and allows predicting the optimal correction values by applying simple equations to fit the data acquired. Validation of the method is performed by comparisons with well-known dispersion curves obtained from polymers and benzene.

  20. Nonaqueous magnetic nanoparticle suspensions with controlled particle size and nuclear magnetic resonance properties.

    Science.gov (United States)

    Meledandri, Carla J; Stolarczyk, Jacek K; Ghosh, Swapankumar; Brougham, Dermot F

    2008-12-16

    We report the preparation of monodisperse maghemite (gamma-Fe2O3) nanoparticle suspensions in heptane, by thermal decomposition of iron(III) acetylacetonate in the presence of oleic acid and oleylamine surfactants. By varying the surfactant/Fe precursor mole ratio during synthesis, control was exerted both over the nanocrystal core size, in the range from 3 to 6 nm, and over the magnetic properties of the resulting nanoparticle dispersions. We report field-cycling 1H NMR relaxation analysis of the superparamagnetic relaxation rate enhancement of nonaqueous suspensions for the first time. This approach permits measurement of the relaxivity and provides information on the saturation magnetization and magnetic anisotropy energy of the suspended particles. The saturation magnetization was found to be in the expected range for maghemite particles of this size. The anisotropy energy was found to increase significantly with decreasing particle size, which we attribute to increased shape anisotropy. This study can be used as a guide for the synthesis of maghemite nanoparticles with selected magnetic properties for a given application.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-07-01

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

  2. Kinetics of membrane binding and dissociation of 5-fluorouracil by pulsed-field-gradient 19F NMR

    Science.gov (United States)

    Yoshii, Noriyuki; Okamura, Emiko

    2009-06-01

    The kinetics of membrane binding and dissociation of an anticancer drug, 5-fluorouracil (5FU) is quantified by high resolution NMR with the pulsed-field-gradient technique. The 19F NMR signal of 5FU is analyzed at 293-313 K by the solution of Bloch equation with exchange terms. The rate constants of 5FU binding and dissociation are 0.2 and 4.1 s -1 at 303 K. The 5FU motion in the vertical direction to the membrane surface is restricted as compared with the lateral diffusion, judging from the activation energy (57 kJ/mol) larger than the lateral diffusion in membrane (26 kJ/mol [E. Okamura, N. Yoshii, J. Chem. Phys. 129 (2008) 215102]).

  3. Fission excitation function for 19F + 194,196,198Pt at near and above barrier energies

    Directory of Open Access Journals (Sweden)

    Singh Varinderjit

    2015-01-01

    Full Text Available Fission excitation functions for 19F + 194,196,198Pt reactions populating 213,215,217Fr compound nuclei are reported. Out of these three compound nuclei, 213Fr is a shell closed (N=126 compound nucleus and the other two are away from the shell closure. From a comparison of the experimental fission cross-sections with the statistical model predictions, it is observed that the fission cross-sections are underestimated by the statistical model predictions using shell corrected finite range rotating liquid drop model (FRLDM fission barriers. Further the FRLDM fission barriers are reduced to fit the fission cross-sections over the entire measured energy range.

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

    Science.gov (United States)

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

    2008-08-01

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

  5. New Improved Indirect Measurement of the 19F(p, α)16O Reaction at Energies of Astrophysical Relevance

    Science.gov (United States)

    Indelicato, I.; La Cognata, M.; Spitaleri, C.; Burjan, V.; Cherubini, S.; Gulino, M.; Hayakawa, S.; Hons, Z.; Kroha, V.; Lamia, L.; Mazzocco, M.; Mrazek, J.; Pizzone, R. G.; Romano, S.; Strano, E.; Torresi, D.; Tumino, A.

    2017-08-01

    Fluorine abundance determination is of great importance in stellar physics to understand s-elements production and mixing processes in asymptotic giant branch (AGB) stars. Up to now, theoretical models overproduce F abundances in AGB stars with respect to the observed values, thus calling for further investigation of the reactions involving fluorine. In particular, the 19F(p, α)16O reaction is the main destruction channel of fluorine at the bottom of the convective envelope in AGB stars, an H-rich environment where it can experience temperatures high enough to determine its destruction, owing to additional mixing processes. In this paper the Trojan horse method (THM) was used to extract the 19F(p, α 0)16O S-factor in the energy range of astrophysical interest (E cm ≈ 0-1 MeV). This is the most relevant channel at the low temperatures (few 107 K) characterizing the bottom of the convective envelope, according to current knowledge. A previous indirect experiment using the THM has observed three resonances in the energy regions below E cm ≈ 450 keV. These energies correspond to typical AGB temperatures, thus implying a significant increase in the reaction rate. Statistics are scarce for performing an accurate separation between resonances, preventing one from drawing a quantitative conclusion about their total widths and spin parities. Before THM measurement, only extrapolations were available below about 500 keV, showing a non-resonant behavior that sharply contradicts the trend of the astrophysical factor at higher energies. A new experiment has been performed to verify the measured TH astrophysical factor and to perform more accurate spectroscopy of the involved resonances.

  6. Feasibility of 19F-NMR for assessing the molecular mobility of flufenamic acid in solid dispersions.

    Science.gov (United States)

    Aso, Yukio; Yoshioka, Sumie; Miyazaki, Tamaki; Kawanishi, Toru

    2009-01-01

    The purpose of the present study was to clarify the feasibility of 19F-NMR for assessing the molecular mobility of flufenamic acid (FLF) in solid dispersions. Amorphous solid dispersions of FLF containing poly(vinylpyrrolidone) (PVP) or hydroxypropylmethylcellulose (HPMC) were prepared by melting and rapid cooling. Spin-lattice relaxation times (T1 and T(1rho)) of FLF fluorine atoms in the solid dispersions were determined at various temperatures (-20 to 150 degrees C). Correlation time (tauc), which is a measure of rotational molecular mobility, was calculated from the observed T1 or T1rho value and that of the T1 or T1rho minimum, assuming that the relaxation mechanism of spin-lattice relaxation of FLF fluorine atoms does not change with temperature. The tauc value for solid dispersions containing 20% PVP was 2-3 times longer than that for solid dispersions containing 20% HPMC at 50 degrees C, indicating that the molecular mobility of FLF in solid dispersions containing 20% PVP was lower than that in solid dispersions containing 20% HPMC. The amount of amorphous FLF remaining in the solid dispersions stored at 60 degrees C was successfully estimated by analyzing the solid echo signals of FLF fluorine atoms, and it was possible to follow the overall crystallization of amorphous FLF in the solid dispersions. The solid dispersion containing 20% PVP was more stable than that containing 20% HPMC. The difference in stability between solid dispersions containing PVP and HPMC is considered due to the difference in molecular mobility as determined by tauc. The molecular mobility determined by 19F-NMR seems to be a useful measure for assessing the stability of drugs containing fluorine atoms in amorphous solid dispersions.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-09-15

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-05-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-10-15

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

  10. Nuclear relaxation in an electric field enables the determination of isotropic magnetic shielding

    Science.gov (United States)

    Garbacz, Piotr

    2016-08-01

    It is shown that in contrast to the case of nuclear relaxation in a magnetic field B, simultaneous application of the magnetic field B and an additional electric field E causes transverse relaxation of a spin-1/2 nucleus with the rate proportional to the square of the isotropic part of the magnetic shielding tensor. This effect can contribute noticeably to the transverse relaxation rate of heavy nuclei in molecules that possess permanent electric dipole moments. Relativistic quantum mechanical computations indicate that for 205Tl nucleus in a Pt-Tl bonded complex, Pt(CN)5Tl, the transverse relaxation rate induced by the electric field is of the order of 1 s-1 at E = 5 kV/mm and B = 10 T.

  11. NUCLEAR-MAGNETIC MINI-RELAXOMETER FOR LIQUID AND VISCOUS MEDIA CONTROL

    Directory of Open Access Journals (Sweden)

    V. V. Davydov

    2015-01-01

    Full Text Available The paper deals with a new method for registration of nuclear magnetic resonance signal of small volume liquid and viscous media being studied (0.5 ml in a weak magnetic field (0.06 –0.08 T, and measuring of longitudinal T1 and transverse T2 relaxation constants. A new construction of NMR mini-relaxometer magnetic system is developed for registration of NMR signal. The nonuniformity of a magnetic field in a pole where registration coil is located is 0,410–3 sm–1 (the induction is В0 = 0.079 T. An electrical circuit of autodyne receiver (weak fluctuations generator has been developed with usage of low noise differential amplifier and NMR signal operating and control scheme (based on microcontroller STM32 for measuring of relaxation constants of liquid and viscous media in automatic operating mode. New technical decisions made it possible to improve relaxometer response time and dynamic range of measurements for relaxation constants T1 and T2 in comparison with small sized nuclear-magnetic spectrometer developed by the authors earlier (with accuracy characteristics conservation. The developed schemes for self-tuning of registration frequency, generating amplitude of magnetic field H1 in registration coil, and amplitude and frequency of modulating field provide measuring of T1 and T2 with error less than 0.5 % and signal to noise ratio about 1.2 in temperature range from 3 to 400 C. A new construction of mini-relaxometer reduced the weight of the device to 4 kg (with independent supply unit and increased transportability and operating convenience.

  12. Direct current superconducting quantum interference device spectrometer for pulsed nuclear magnetic resonance and nuclear quadrupole resonance at frequencies up to 5 MHz

    Science.gov (United States)

    TonThat, Dinh M.; Clarke, John

    1996-08-01

    A spectrometer based on a dc superconducting quantum interference device (SQUID) has been developed for the direct detection of nuclear magnetic resonance (NMR) or nuclear quadrupole resonance (NQR) at frequencies up to 5 MHz. The sample is coupled to the input coil of the niobium-based SQUID via a nonresonant superconducting circuit. The flux locked loop involves the direct offset integration technique with additional positive feedback in which the output of the SQUID is coupled directly to a low-noise preamplifier. Precession of the nuclear quadrupole spins is induced by a magnetic field pulse with the feedback circuit disabled; subsequently, flux locked operation is restored and the SQUID amplifies the signal produced by the nuclear free induction signal. The spectrometer has been used to detect 27Al NQR signals in ruby (Al2O3[Cr3+]) at 359 and 714 kHz.

  13. A Neutron Diffraction Study of the Nuclear and Magnetic Structure of MnNb2O6

    DEFF Research Database (Denmark)

    Nielsen, Oliver Vindex; Lebech, Bente; Krebs Larsen, F.;

    1976-01-01

    A neutron diffraction study was made of the nuclear and the magnetic structure of MnNb2O6 single crystals. The thirteen nuclear parameters (space group Pbcn) were determined from 304 reflections at room temperature. The antiferromagnetic structure (Neel temperature=4.4K), determined at 1.2K, is a...

  14. Isotope effects on nuclear magnetic shieldings calculated by including zero-point vibration corrections: the VMF approach

    Energy Technology Data Exchange (ETDEWEB)

    Dransfeld, Alk

    2004-03-08

    As a minimal dynamic correction the 'zero-point vibration', ZPV, was included in the ab initio calculation of the isotropic magnetic shielding of {sup 13}C, {sup 19}F, {sup 29}Si, {sup 31}P, and {sup 35}Cl in some molecules including the references of NMR spectroscopy (f.i. CFCl{sub 3}, CH{sub 3}-NO{sub 2}, and TMS). In contrast to most previous works the ZPV correction is not based on gradients of internal coordinates, but uses derivatives obtained by 'vibration mode following' (VMF, the coordinates of the gradients describing the magnetic shielding hypersurface are the normal coordinates of the ground state vibration motion). The vibrational corrections obtained at the applied DFT level of theory are slightly smaller than those reported for MP2 calculations. Isotope effects computed with the ZPV/VMF correction are in reasonable agreement with experimental data. Contributions from individual vibration modes to the zero-point correction show that rotational motions have a large effect.

  15. (d ,n ) proton-transfer reactions on 9Be, 11B, 13C, N,1514, and 19F and spectroscopic factors at Ed=16 MeV

    Science.gov (United States)

    Febbraro, M.; Becchetti, F. D.; Torres-Isea, R. O.; Riggins, J.; Lawrence, C. C.; Kolata, J. J.; Howard, A. M.

    2017-08-01

    The (d ,n ) reaction has been studied with targets of 9Be, 11B, 13C, N,1514, and 19F at Ed=16 MeV using a deuterated liquid-scintillator array. Advanced spectral unfolding techniques with accurately measured scintillator response functions were employed to extract neutron energy spectra without the need for long-path neutron time-of-flight. An analysis of the proton-transfer data at forward angles to the ground states of the final nuclei, using finite-range distorted-wave Born approximation analysis with common bound-state, global, and local optical-model parameter sets, yields a set of self-consistent spectroscopic factors. These are compared with the results of several previous time-of-flight measurements, most done many years ago for individual nuclei at lower energy and often analyzed using zero-range transfer codes. In contrast to some of the earlier published data, our data generally compare well with simple shell-model predictions, with little evidence for uniform quenching (reduction from shell-model values) that has previously been reported from analysis of nucleon knock-out reactions. Data for low-lying excited states in 14N from 13C(d ,n ) also is analyzed and spectroscopic information relevant to nuclear astrophysics obtained. A preliminary study of the radioactive ion beam induced reaction 7Be(d ,n ) , E (7Be)=30 MeV was carried out and indicates further improvements are needed for such measurements, which require detection of neutrons with En<2 MeV .

  16. Homometallic and Heterometallic Antiferromagnetic Rings: Magnetic Properties Studied by Nuclear Magnetic Resonance

    Energy Technology Data Exchange (ETDEWEB)

    Casadei, Cecilia [Univ. of Pavia (Italy)

    2011-01-01

    The aim of the present thesis is to investigate the local magnetic properties of homometallic Cr8 antiferromagnetic (AFM) ring and the changes occurring by replacing one Cr3+ ion with diamagnetic Cd2+ (Cr7Cd) and with Ni2+ (Cr7Ni). In the heterometallic ring a redistribution of the local magnetic moment is expected in the low temperature ground state. We have investigated those changes by both 53Cr-NMR and 19F-NMR. We have determined the order of magnitude of the transferred hyperfine coupling constant 19F - M+ where M+ = Cr3+, Ni2+ in the different rings. This latter result gives useful information about the overlapping of the electronic wavefunctions involved in the coordinative bond.

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

    Energy Technology Data Exchange (ETDEWEB)

    Urban, Jeffry Todd

    2004-12-21

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2004-01-01

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

  19. High-resolution liquid- and solid-state nuclear magnetic resonance of nanoliter sample volumes using microcoil detectors

    NARCIS (Netherlands)

    Kentgens, A.P.M.; Bart, J.; Bentum, van P.J.M.; Brinkmann, A.; Eck, van E.R.H.; Gardeniers, J.G.E.; Janssen, J.W.G.; Knijn, P.J.; Vasa, S.; Verkuijlen, M.H.W.

    2008-01-01

    The predominant means to detect nuclear magnetic resonance(NMR) is to monitor the voltage induced in a radiofrequency coil by the precessing magnetization. To address the sensitivity of NMR for mass-limited samples it is worthwhile to miniaturize this detector coil. Although making smaller coils see

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

    Science.gov (United States)

    Cutillo, A G; Ailion, D C

    1999-01-01

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

  1. High-sensitivity cooled coil system for nuclear magnetic resonance in kHz range.

    Science.gov (United States)

    Lin, Tingting; Zhang, Yi; Lee, Yong-Ho; Krause, Hans-Joachim; Lin, Jun; Zhao, Jing

    2014-11-01

    In several low-field Nuclear Magnetic Resonance (LF-NMR) and surface nuclear magnetic resonance applications, i.e., in the frequency range of kHz, high sensitivity magnetic field detectors are needed. Usually, low-Tc superconducting quantum interference devices (SQUIDs) with a high field sensitivity of about 1 fT/Hz(1/2) are employed as detectors. Considering the flux trapping and operational difficulties associated with low-Tc SQUIDs, we designed and fabricated liquid-nitrogen-cooled Cu coils for NMR detection in the kHz range. A cooled coil system consisting of a 9-cm diameter Cu coil and a low noise preamplifier was systematically investigated and reached a sensitivity of 2 fT/Hz(1/2) at 77 K, which is 3 times better compared to the sensitivity at 300 K. A Q-switch circuit as an essential element for damping the ringing effects of the pickup coil was developed to acquire free induction decay signals of a water sample with minimum loss of signal. Our studies demonstrate that cooled Cu coils, if designed properly, can provide a comparable sensitivity to low-Tc SQUIDs.

  2. 19F+27Al耗散反应产物截面测量中的不重复性%Non-reproducibility of the Cross Sections of the Products Induced from Dissipative Reaction of 19F+27Al

    Institute of Scientific and Technical Information of China (English)

    韩建龙; 王琦; 董玉川; 李松林; 段利敏; 吴和宇; 徐华根; 陈若富; 徐瑚珊; 白真; 李志常; 路秀琴; 赵葵; 周平; 刘建成; 许国基; Sergey; Yu; Kun

    2006-01-01

    在中国原子能科学研究院的HI-13串列静电加速器上完成了114MeV和118.75MeV的19F+27Al耗散反应产物B,C,N,O,F,Ne,Na和Mg的微分截面测量.条形27Al同位素靶的大小尺寸为10mm×50mm,平均厚度约67μg/cm2.固定入射束流19F的能量,通过移动靶位,先后轰击了靶上20个不同的位置.实验结果表明,在弹靶系统、入射能量以及探测系统都相同的多次独立的微分截面测量中,截面的涨落不呈现高斯型几率分布.截面测量的这种不重复现象难以用有限计数率的统计性质来解释.

  3. Efficient dynamic nuclear polarization of phosphorus in silicon in strong magnetic fields and at low temperatures

    Science.gov (United States)

    Järvinen, J.; Ahokas, J.; Sheludyakov, S.; Vainio, O.; Lehtonen, L.; Vasiliev, S.; Zvezdov, D.; Fujii, Y.; Mitsudo, S.; Mizusaki, T.; Gwak, M.; Lee, SangGap; Lee, Soonchil; Vlasenko, L.

    2014-12-01

    Efficient manipulation of nuclear spins is important for utilizing them as qubits for quantum computing. In this work we report record high polarizations of 31P and 29Si nuclear spins in P-doped silicon in a strong magnetic field (4.6 T) and at temperatures below 1 K. We reached 31P nuclear polarization values exceeding 98 % after 20 min of pumping the high-field electron spin resonance (ESR) line with a very small microwave power of 0.4 μ W . We evaluate that the ratio of the hyperfine-state populations increases by three orders of magnitude after 2 hours of pumping, and an extremely pure nuclear spin state can be created, with less than 0.01 ppb impurities. A negative dynamic nuclear polarization has been observed by pumping the low-field ESR line of 31P followed by the flip-flip cross relaxation, the transition which is fully forbidden for isolated donors. We estimate that while pumping the ESR transitions of 31P also the nuclei of 29Si get polarized, and polarization exceeding 60 % has been obtained. We performed measurements of relaxation rates of flip-flop and flip-flip transitions which turned out to be nearly temperature independent. Temperature dependence of the 31P nuclear relaxation was studied down to 0.75 K, below which the relaxation time became too long to be measured. We found that the polarization evolution under pumping and during relaxation deviates substantially from a simple exponential function of time. We suggest that the nonexponential polarization dynamics of 31P donors is mediated by the orientation of 29Si nuclei, which affect the transition probabilities of the forbidden cross-relaxation processes.

  4. Time-Reversal Symmetry Violation in Molecules Induced by Nuclear Magnetic Quadrupole Moments

    Science.gov (United States)

    Flambaum, V. V.; DeMille, D.; Kozlov, M. G.

    2014-09-01

    Recent measurements in paramagnetic molecules improved the limit on the electron electric dipole moment (EDM) by an order of magnitude. Time-reversal (T) and parity (P) symmetry violation in molecules may also come from their nuclei. We point out that nuclear T, P-odd effects are amplified in paramagnetic molecules containing deformed nuclei, where the primary effects arise from the T, P-odd nuclear magnetic quadrupole moment (MQM). We perform calculations of T, P-odd effects in the molecules TaN, ThO, ThF+, HfF+, YbF, HgF, and BaF induced by MQMs. We compare our results with those for the diamagnetic TlF molecule, where the T, P-odd effects are produced by the nuclear Schiff moment. We argue that measurements in molecules with MQMs may provide improved limits on the strength of T, P-odd nuclear forces, on the proton, neutron, and quark EDMs, on quark chromo-EDMs, and on the QCD θ term and CP-violating quark interactions.

  5. high resolution nuclear magnetic resonance spectroscopy in studies of Picrotoxanolides of Coriaria. Coryamyrtin

    Directory of Open Access Journals (Sweden)

    Aguirre Galvis Luis Enrique

    1987-06-01

    Full Text Available Spectral evidence by Protonic Nuclear Magnetic Resonance (400
    MAHz and 90 MHz of the analeptic sesquiterpene lactone coriamyrtin, isolated from the colombian plant Coriaria microphyUn, Poir., is discussed, and analogies are made with the spectra of authentic samples of picrotin and picrotoxinin.Se discute la evidencia espectroscópica de Resonancia Magnética
    Nuclear Protónica (400MHz y 90 MHz para coriamirtina, una lactona sesquiterpénica de carácter analéptico, aislada de la planta colombiana Coriasia microphyUn, Poir., mediante analogías con espectros de muestras autenticadas de picrotina y picrotoxinina.

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

    CERN Document Server

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

    2014-01-01

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

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

    CERN Document Server

    King, Jonathan P; Blanchard, John W

    2016-01-01

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

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

    DEFF Research Database (Denmark)

    Hanni, Matti; Lantto, Perttu; Ilias, Miroslav

    2007-01-01

    Relativistic effects on the 129Xe nuclear magnetic resonance shielding and 131Xe nuclear quadrupole coupling (NQC) tensors are examined in the weakly bound Xe2 system at different levels of theory including the relativistic four-component Dirac-Hartree-Fock (DHF) method. The intermolecular...... interaction-induced binary chemical shift d, the anisotropy of the shielding tensor ?s, and the NQC constant along the internuclear axis ?ll are calculated as a function of the internuclear distance. DHF shielding calculations are carried out using gauge-including atomic orbitals. For comparison, the full...... leading-order one-electron Breit-Pauli perturbation theory (BPPT) is applied using a common gauge origin. Electron correlation effects are studied at the nonrelativistic (NR) coupled-cluster singles and doubles with perturbational triples [CCSD(T)] level of theory. The fully relativistic second...

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

    Science.gov (United States)

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

    2014-12-15

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

  10. Implementation of a multiple round quantum dense coding using nuclear magnetic resonance

    Institute of Scientific and Technical Information of China (English)

    ZHANG; Jingfu; XIE; Jingyi; WANG; Chuan; DENG; Zhiwei; LU

    2005-01-01

    A multiple round quantum dense coding scheme based on the quantum phase estimation algorithm is proposed and implemented in a three qubit nuclear magnetic resonance (NMR) quantum computer. Using an m + 1 qubit system, Bob can transmit one of 2m+1 messages to Alice, through manipulating only one qubit and exchanging it between Alice and Bob for m rounds. The information capacity is enhanced to m + 1 bits as compared to m bits in a classical scheme. The scheme has been demonstrated in NMR system, and the experimental results show a good agreement between theory and experiment.

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

    KAUST Repository

    Gao, Xin

    2013-01-11

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

  12. Determination of alkylbenzenesulfonate surfactants in groundwater using macroreticular resins and carbon-13 nuclear magnetic resonance spectrometry

    Science.gov (United States)

    Thurman, E.M.; Willoughby, T.; Barber, L.B.; Thorn, K.A.

    1987-01-01

    Alkylbenzenesulfonate surfactants were determined in groundwater at concentrations as low as 0.3 mg/L. The method uses XAD-8 resin for concentration, followed by elution with methanol, separation of anionic and nonionic surfactants by anion exchange, quantitation by titration, and identification by 13C nuclear magnetic resonance spectrometry. Laboratory standards and field samples containing straight-chain and branched-chain alkylbenzenesulfonates, sodium dodecyl sulfate, and alkylbenzene ethoxylates were studied. The XAD-8 extraction of surfactants from groundwater was completed in the field, which simplified sample preservation and reduced the cost of transporting samples.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-04-01

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

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

    CERN Document Server

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

    2012-01-01

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

  15. Differentiation in vitro of inflammatory from non inflammatory synovial fluid by nuclear magnetic relaxation

    Energy Technology Data Exchange (ETDEWEB)

    Teyssier, R.; Teyssier, M.; Colson, F.

    1987-01-01

    The differentiation between inflammatory and non inflammatory states has been performed using Nuclear Magnetic Resonance (NMR) in vitro by measuring relaxation times T/sub 1/ and T/sub 2/ in 84 synovials fluids obtained from various rheumatologic diseases. The results show that the T/sub 1//T/sub 2/ ratio is more sensitive to distinguish these two situations rather than the isolated T/sub 1/ or T/sub /2 values. In particular, high values of T/sub 1//T/sub 2/ ratio are found in septic arthritis.

  16. Isotropic proton-detected local-field nuclear magnetic resonancein solids

    Energy Technology Data Exchange (ETDEWEB)

    Havlin, Robert H.; Walls, Jamie D.; Pines, Alexander

    2004-08-04

    A new nuclear magnetic resonance (NMR) method is presented which produces linear, isotropic proton-detected local-field spectra for InS spin systems in powdered samples. The method, HETeronuclear Isotropic Evolution (HETIE), refocuses the anisotropic portion of the heteronuclear dipolar coupling frequencies by evolving the system under a series of specially designed Hamiltonians and evolution pathways. The theory behind HETIE is represented along with experimental studies conducted on a powdered sample of ferrocene, demonstrating the methodology outlined in this paper. Applications of HETIE for structural determination in solid-state NMR are discussed.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-31

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

  18. Experimental study of quantum simulation for quantum chemistry with a nuclear magnetic resonance simulator.

    Science.gov (United States)

    Lu, Dawei; Xu, Nanyang; Xu, Boruo; Li, Zhaokai; Chen, Hongwei; Peng, Xinhua; Xu, Ruixue; Du, Jiangfeng

    2012-10-13

    Quantum computers have been proved to be able to mimic quantum systems efficiently in polynomial time. Quantum chemistry problems, such as static molecular energy calculations and dynamical chemical reaction simulations, become very intractable on classical computers with scaling up of the system. Therefore, quantum simulation is a feasible and effective approach to tackle quantum chemistry problems. Proof-of-principle experiments have been implemented on the calculation of the hydrogen molecular energies and one-dimensional chemical isomerization reaction dynamics using nuclear magnetic resonance systems. We conclude that quantum simulation will surpass classical computers for quantum chemistry in the near future.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-04-01

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

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

    Science.gov (United States)

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

    2016-09-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-01-01

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

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

    DEFF Research Database (Denmark)

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

    Nuclear magnetic resonance (NMR) has proven a good technique for measuring pore size distribution in reservoir rocks. The use of low field NMR together with sonic and electrical resistivity measurements, can contribute to illustrate the effect of adsorbing ions on chalk elasticity. NMR is useful...... of the relaxation time. Core samples saturated with calcium chloride solution relaxed slower and those saturated with magnesium chloride solution relaxed faster than the rest of the samples. Along with the changes in relaxation the samples experienced smaller velocities of elastic waves when saturated with MgCl2...

  3. Device for measurement of power and shape of radio frequency pulses in nuclear magnetic resonance

    Science.gov (United States)

    Pfeffer, M.; Řezníček, R.; Křišťan, P.; Štěpánková, H.

    2012-05-01

    A design of an instrument to measure the power and shape of radio frequency (RF) pulses operating in a broad frequency range is described. The device is capable of measuring the pulse power up to 500 W of both CW and extremely short (˜1 μs) RF pulses of arbitrary period. The pulse envelope can be observed on a logarithmic scale on a corresponding instrument output using an inexpensive storage oscilloscope. The instrument consists of a coaxial measurement head, the RF processing circuits and an AD conversion and display unit. The whole device is based on widely available integrated circuits; thus, good reproducibility and adaptability of the design is ensured. Since the construction is intended to be used in particular (but not solely) in nuclear magnetic resonance spectroscopy, we found it useful to provide a demonstration of two typical usage scenarios. Other application fields may comprise magnetic resonance imaging, radar and laser technology, power amplifier testing, etc.

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

    DEFF Research Database (Denmark)

    Hanson, Lars G.

    A graphical app and browser-based simulator, CompassMR, was developed for initial Magnetic Resonance (MR) education. It is available at http://drcmr.dk/CompassMR/ and executes directly in most browsers with no further need for software. Easy access and a simple user interface invite student...... experimentation that improves understanding of basic MR phenomena. The simulator is used to introduce and explore electromagnetism, magnetic dipoles, static and radiofrequency fields, Compass MR, the free induction decay (FID), relaxation, the Fourier transform (FFT), the resonance condition, spin, precession......, the Larmor equation, Nuclear MR, resonant excitation (linear and quadrature), and off-resonance effects. Methods and implementation: The simulator is a complete HTML5/JavaScript[1,2] rewrite of the JavaCompass[3] so it now executes in modern browsers with no additional software needed. Spin dynamics...

  5. Sub-nanoliter nuclear magnetic resonance coils fabricated with multilayer soft lithography

    Science.gov (United States)

    Lam, Matthew H. C.; Homenuke, Mark A.; Michal, Carl A.; Hansen, Carl L.

    2009-09-01

    We describe the fabrication and characterization of sub-nanoliter volume nuclear magnetic resonance (NMR) transceiver coils that are easily amenable to integration within PDMS-based microfluidics. NMR coils were constructed by the injection of liquid metal into solenoidal cavities created around a microchannel using consecutive replica molding and bonding of PDMS layers. This construction technique permits the integration of NMR coils with solenoidal, toroidal or other three-dimensional geometries within highly integrated microfluidic systems and are one step toward NMR-based chemical screening and analysis on chip. The current proof-of-principle implementation displays limited sensitivity and resolution due to the conductivity and magnetic susceptibilities of the construction materials. However, NMR measurements and finite-element simulations made with the current device geometry indicate that optimization of these materials will allow for the collection of spectra from sub-millimolar concentration samples in less than 1 nL of solution.

  6. A Magnetic Carbon Sorbent for Radioactive Material from the Fukushima Nuclear Accident

    Science.gov (United States)

    Yamaguchi, Daizo; Furukawa, Kazumi; Takasuga, Masaya; Watanabe, Koki

    2014-08-01

    Here we present the first report of a carbon-γ-Fe2O3 nanoparticle composite of mesoporous carbon, bearing COOH- and phenolic OH- functional groups on its surface, a remarkable and magnetically separable adsorbent, for the radioactive material emitted by the Fukushima Daiichi nuclear power plant accident. Contaminated water and soil at a level of 1,739 Bq kg-1 (134Cs and 137Cs at 509 Bq kg-1 and 1,230 Bq kg-1, respectively) and 114,000 Bq kg-1 (134Cs and 137Cs at 38,700 Bq kg-1 and 75,300 Bq kg-1, respectively) were decontaminated by 99% and 90% respectively with just one treatment carried out in Nihonmatsu city in Fukushima. Since this material is remarkably high performance, magnetically separable, and a readily applicable technology, it would reduce the environmental impact of the Fukushima accident if it were used.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1994-02-01

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

  8. Cross-Correlation of Excitation Functions for Different Fragments and Different Scattering Angles in 27Al(19F, x) y Reactions

    Institute of Scientific and Technical Information of China (English)

    HAN Jian-Long; WU He-Yu; LI Zhi-Chang; LU Xiu-Qin; ZHAO Kui; ZHOU Ping; LIU Jian-Cheng; XU Guo-Ji; Sergey Yu Kun; WANG Qi; BAI Zhen; DONG Yu-Chuan; LI Song-Lin; DUAN Li-Min; XU Hu-Shan; XU Hua-Gen; CHEN Ruo-Fu

    2008-01-01

    @@ Excitation functions have been measured for different projectile-like fragments produced in 27 Al(19 F,x)y reactions at incident energies from 110.25 to 118. 75 Me V in 250 ke V steps. Strong cross section fluctuations of the excitation functions are observed. The cross-correlation coefficients of the excitation functions for different atomic number Z and for different scattering angle θcm have been deduced. These coefficients are much larger than the statistical theoretical calculated ones. This indicates that there are strong correlations between different exit channels in the dissipative heavy ion collision of 27 Al(19 F,x )y.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-11-15

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

  10. Experimental investigations on the splitting of coherent population trapping resonances by the nuclear magnetic moment

    Energy Technology Data Exchange (ETDEWEB)

    Lammegger, Roland; Vasari, Ivan; Neureiter, Christian; Windholz, Laurentius [Inst. f. Experimentalphysik, Techn. Univ. Graz (Austria)

    2007-07-01

    Coherent population trapping (CPT) is a resonance phenomenon due to a quantum mechanical interference effect within an atomic system. The resonantly driven atomic level population is being trapped into a superpositional dark state, yielding the atomic medium transparent for the exciting electromagnetic fields. The observation of this effect requires a special electronic structure ({lambda}-system) and suitable lifetimes which can be found e.g. in alkali atoms. We present experimental investigations on the behavior of the CPT resonances split by the nuclear magnetic moment under different external magnetic fields, laser polarizations and laser intensities. We focus our considerations on a special type of the {lambda}-System formation. In this case the center of gravity of the pair of split CPT resonances (called pseudoresonance) is sensitive to external magnetic fields only to second order in the magnetic field strength. The short term frequency stability of this pseudoresonance approaches the level of 10{sup -14}/{radical}({tau}). Thus such resonances seems to be a good candidate for applications in compact atomic clocks used e.g. in GPS receivers and Satellites.

  11. Two lanthanide-hydroxo clusters with different nuclearity: Synthesis, structures, luminescent and magnetic properties

    Science.gov (United States)

    Li, Xi-Li; Zhu, Cancan; Zhang, Xue-Li; Hu, Ming; Wang, Ai-Ling; Xiao, Hong-Ping

    2017-01-01

    Under the identical reaction conditions, two new TbIII and SmIII-hydroxo clusters with different nuclearity have been prepared and characterized by X-ray crystallography, spectroscopic methods and magnetic measurements. Solid-state structure analyses reveal that the TbIII cluster shows a pentanuclear square pyramidal shape of the composition [Tb5(μ3-OH)4(μ4-OH)(dbm)10]·2H2O (1, dbm- = dibenzoylmethanate) with the dbm ligands presenting two types of coordination modes [η2-and (μ-O)-η2-]. The SmIII species presents a tetranuclear parallelogram structure formulated as [Sm4(μ3-OH)2(dbm)10]·12H2O (2), and three types of coordination modes [η2-, (μ-O)-η2- and (μ-O)2-η2-] for dbm ligands are observed. The measurements of magnetic properties indicate that the direct-current (dc) magnetic behaviors of two clusters mainly result from the thermal depopulation of the Stark sublevels of the TbIII and SmIII ions, respectively. Meanwhile, alternating current (ac) magnetic susceptibility of 1 is also assessed. Investigations on luminescence properties show that 2 displays characteristic emission of the SmIII ion in visible range, while 1 does not exhibit any detectable emission. The interpretations of different emission behaviors for 1 and 2 are also presented in detail.

  12. Contributed review: nuclear magnetic resonance core analysis at 0.3 T.

    Science.gov (United States)

    Mitchell, Jonathan; Fordham, Edmund J

    2014-11-01

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

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

    Science.gov (United States)

    Yeninas, Steven Lee

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

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

    Science.gov (United States)

    Ma, Wen-Long; Liu, Ren-Bao

    2016-08-01

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

  15. Principles and some applications of ''zero field nuclear magnetic resonance''

    Energy Technology Data Exchange (ETDEWEB)

    Llor, A.; Virlet, J.

    1987-10-01

    The method known as ''zero field NMR'' is reviewed. The technique allows the observation of nuclear dipolar and quadrupolar interactions in powder samples, which may otherwise be possible in high field on monocristals only. The anisotropy due to the magnetic field is removed although sensitivity is preserved. This method is compared to other Nuclear Resonance spectroscopies: its originality lies in the measurement of the coherent evolution of the system in zero field after a perturbation induced by suddenly switching the magnetic field. The Fourier transform of the ''zero field free induction decay'' then gives the ''zero field spectrum''. The ideal experiment is described with its adaptations due to experimental constraints, as realized in our laboratory at Saclay and in the laboratory of A. Pines at Berkeley. We present with our first measurements a review of most of the results published to date on spin 1/2 as well as spin 1/2 (quadrupolar) nuclei. Possible future developments of the method are also discussed.

  16. Monitoring lactic acid production during milk fermentation by in situ quantitative proton nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Bouteille, R; Gaudet, M; Lecanu, B; This, H

    2013-04-01

    When fermenting milk, lactic bacteria convert part of α- and β-lactoses into d- and l- lactic acids, causing a pH decrease responsible for casein coagulation. Lactic acid monitoring during fermentation is essential for the control of dairy gel textural and organoleptic properties, and is a way to evaluate strain efficiency. Currently, titrations are used to follow the quantity of acids formed during jellification of milk but they are not specific to lactic acid. An analytical method without the use of any reagent was investigated to quantify lactic acid during milk fermentation: in situ quantitative proton nuclear magnetic resonance spectroscopy. Two methods using in situ quantitative proton nuclear magnetic resonance spectroscopy were compared: (1) d- and l-lactic acids content determination, using the resonance of their methyl protons, showing an increase from 2.06 ± 0.02 to 8.16 ± 0.74 g/L during 240 min of fermentation; and (2) the determination of the α- and β-lactoses content, decreasing from 42.68 ± 0.02 to 30.76 ± 1.75 g/L for the same fermentation duration. The ratio between the molar concentrations of produced lactic acids and consumed lactoses enabled cross-validation, as the value (2.02 ± 0.18) is consistent with lactic acid bacteria metabolism.

  17. [Value of the nuclear magnetic cholangio resonance in the study of the patient with jaundice].

    Science.gov (United States)

    Gramática, L; Struni, M; Carranza, D; Verasay, G; Taborda, B; Caballero, F; Gramática, L

    1999-01-01

    This report analyse the results about forty three (43) patients, thirty six (36) of which showed an extrahepatic obstructive biliary Syndrome was made evident by ultrasonography, five (5) with a cholecistolithiasis and doubtful history of jaundice were evaluated to carry out a video-surgery procedure and two (2) patients whom hepatic-yeyunostomy had been practiced, a control of anastomosis in postoperative period was required. Nuclear Magnetic Resonance and Operative Cholangiography findings were correlated and afterward with the anatomopathological studies when they arrived. In all cases the Nuclear Magnetic Cholangio Resonance (NMCR) let us prove the diagnosis of extrahepatic biliary obstruction determining with precision furthermore the topographical site of the lesion. Respecting the aetiology of obstruction, NMCR was accurate in 34 out of 36 cases (94.4%). In conclusion Cholangio-Resonance is an excellent diagnostic method to evaluate biliary ductal system including anatomic changes. However, there are some limitations yet in order to determine the aetiology of lesions about extrahepatic biliary via extremes. We emphasize its features such as non-invasive, little operating dependent, and without morbimortality that become it as a method of choice to study the biliary via from a diagnostic viewpoint.

  18. Remote sensing of sample temperatures in nuclear magnetic resonance using photoluminescence of semiconductor quantum dots.

    Science.gov (United States)

    Tycko, Robert

    2014-07-01

    Knowledge of sample temperatures during nuclear magnetic resonance (NMR) measurements is important for acquisition of optimal NMR data and proper interpretation of the data. Sample temperatures can be difficult to measure accurately for a variety of reasons, especially because it is generally not possible to make direct contact to the NMR sample during the measurements. Here I show that sample temperatures during magic-angle spinning (MAS) NMR measurements can be determined from temperature-dependent photoluminescence signals of semiconductor quantum dots that are deposited in a thin film on the outer surface of the MAS rotor, using a simple optical fiber-based setup to excite and collect photoluminescence. The accuracy and precision of such temperature measurements can be better than ±5K over a temperature range that extends from approximately 50K (-223°C) to well above 310K (37°C). Importantly, quantum dot photoluminescence can be monitored continuously while NMR measurements are in progress. While this technique is likely to be particularly valuable in low-temperature MAS NMR experiments, including experiments involving dynamic nuclear polarization, it may also be useful in high-temperature MAS NMR and other forms of magnetic resonance. Published by Elsevier Inc.

  19. Charge order and low frequency spin dynamics in lanthanum cuprates revealed by Nuclear Magnetic Resonance

    Energy Technology Data Exchange (ETDEWEB)

    Grafe, H.J.; Vyalikh, A.; Vavilova, J.; Buchner, B. [IFW Dresden, Institute for Solid State Research, Dresden (Germany); Curro, N.J. [Department of Physics, University of California, Davis, CA (United States); Young, B.L. [Department of Electrophysics, National Chiao Tung University, Hsinchu, Taiwan (China); Gu, G.D.; Hucker, M. [Condensed Matter Physics and Materials Science Department, Brookhaven National Laboratory, Upton, NY (United States); Vavilova, J. [Kazan Zavoiskiy Physical-Technical Institute, Kazan (Russian Federation)

    2010-10-15

    We report detailed {sup 17}O, {sup 139}La, and {sup 63,65}Cu Nuclear Magnetic Resonance (NMR) and Nuclear Quadrupole Resonance (NQR) measurements in a stripe ordered La{sub 1.875}Ba{sub 0.125}CuO{sub 4} single crystal and in oriented powder samples of La{sub 1.8-x}Eu{sub 0.2}Sr{sub x}CuO{sub 4}. We observe a partial wipe out of the {sup 17}O NMR intensity and a simultaneous drop of the {sup 17}O electric field gradient (EFG) at low temperatures where the spin stripe order sets in. In contrast, the {sup 63,65}Cu intensity is completely wiped out at the same temperature. The drop of the {sup 17}O quadrupole frequency is compatible with a charge stripe order. The {sup 17}O spin lattice relaxation rate shows a peak similar to that of the {sup 139}La, which is of magnetic origin. This peak is doping dependent and is maximal at x {approx} 1/8. (authors)

  20. Low-temperature nuclear magnetic resonance investigation of systems frustrated by competing exchange interactions

    Science.gov (United States)

    Roy, Beas

    This doctoral thesis emphasizes on the study of frustrated systems which form a very interesting class of compounds in physics. The technique used for the investigation of the magnetic properties of the frustrated materials is Nuclear Magnetic Resonance (NMR). NMR is a very novel tool for the microscopic study of the spin systems. NMR enables us to investigate the local magnetic properties of any system exclusively. The NMR experiments on the different systems yield us knowledge of the static as well as the dynamic behavior of the electronic spins. Frustrated systems bear great possibilities of revelation of new physics through the new ground states they exhibit. The vandates AA'VO(PO4)2 [AA' ≡ Zn2 and BaCd] are great prototypes of the J1-J2 model which consists of magnetic ions sitting on the corners of a square lattice. Frustration is caused by the competing nearest-neighbor (NN) and next-nearest neighbor (NNN) exchange interactions. The NMR investigation concludes a columnar antiferromagnetic (AFM) state for both the compounds from the sharp peak of the nuclear spin-lattice relaxation rate (1/T1) and a sudden broadening of the 31P-NMR spectrum. The important conclusion from our study is the establishment of the first H-P-T phase diagram of BaCdVO(PO4)2. Application of high pressure reduces the saturation field (HS) in BaCdVO(PO4)2 and decreases the ratio J2/J1, pushing the system more towards a questionable boundary (a disordered ground state) between the columnar AFM and a ferromagnetic ground state. A pressure up to 2.4 GPa will completely suppress HS. The Fe ions in the `122' iron-arsenide superconductors also sit on a square lattice thus closely resembling the J1-J2 model. The 75As-NMR and Nuclear Quadrupole Resonance (NQR) experiments are conducted in the compound CaFe2As2 prepared by two different heat treatment methods (`as-grown' and `annealed'). Interestingly the two samples show two different ground states. While the ground state of the `as

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

    Science.gov (United States)

    Kutzelnigg, Werner; Liu, Wenjian

    2009-07-28

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

  2. Direct mapping of 19F in 19FDG-6P in brain tissue at subcellular resolution using soft X-ray fluorescence

    Science.gov (United States)

    Poitry-Yamate, C.; Gianoncelli, A.; Kourousias, G.; Kaulich, B.; Lepore, M.; Gruetter, R.; Kiskinova, M.

    2013-10-01

    Low energy x-ray fluorescence (LEXRF) detection was optimized for imaging cerebral glucose metabolism by mapping the fluorine LEXRF signal of 19F in 19FDG, trapped as intracellular 19F-deoxyglucose-6-phosphate (19FDG-6P) at 1μm spatial resolution from 3μm thick brain slices. 19FDG metabolism was evaluated in brain structures closely resembling the general cerebral cytoarchitecture following formalin fixation of brain slices and their inclusion in an epon matrix. 2-dimensional distribution maps of 19FDG-6P were placed in a cytoarchitectural and morphological context by simultaneous LEXRF mapping of N and O, and scanning transmission x-ray (STXM) imaging. A disproportionately high uptake and metabolism of glucose was found in neuropil relative to intracellular domains of the cell body of hypothalamic neurons, showing directly that neurons, like glial cells, also metabolize glucose. As 19F-deoxyglucose-6P is structurally identical to 18F-deoxyglucose-6P, LEXRF of subcellular 19F provides a link to in vivo 18FDG PET, forming a novel basis for understanding the physiological mechanisms underlying the 18FDG PET image, and the contribution of neurons and glia to the PET signal.

  3. Assessment of chemical exchange in tryptophan–albumin solution through {sup 19}F multicomponent transverse relaxation dispersion analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Ping-Chang, E-mail: pingchang.lin@howard.edu [Howard University, Department of Radiology, College of Medicine (United States)

    2015-06-15

    A number of NMR methods possess the capability of probing chemical exchange dynamics in solution. However, certain drawbacks limit the applications of these NMR approaches, particularly, to a complex system. Here, we propose a procedure that integrates the regularized nonnegative least squares (NNLS) analysis of multiexponential T{sub 2} relaxation into Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion experiments to probe chemical exchange in a multicompartmental system. The proposed procedure was validated through analysis of {sup 19}F T{sub 2} relaxation data of 6-fluoro-DL-tryptophan in a two-compartment solution with and without bovine serum albumin. Given the regularized NNLS analysis of a T{sub 2} relaxation curve acquired, for example, at the CPMG frequency υ{sub CPMG} = 125, the nature of two distinct peaks in the associated T{sub 2} distribution spectrum indicated 6-fluoro-DL-tryptophan either retaining the free state, with geometric mean */multiplicative standard deviation (MSD) = 1851.2 ms */1.51, or undergoing free/albumin-bound interconversion, with geometric mean */MSD = 236.8 ms */1.54, in the two-compartment system. Quantities of the individual tryptophan species were accurately reflected by the associated T{sub 2} peak areas, with an interconversion state-to-free state ratio of 0.45 ± 0.11. Furthermore, the CPMG relaxation dispersion analysis estimated the exchange rate between the free and albumin-bound states in this fluorinated tryptophan analog and the corresponding dissociation constant of the fluorinated tryptophan–albumin complex in the chemical-exchanging, two-compartment system.

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

    Science.gov (United States)

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

    2016-02-15

    Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide. Copyright © 2015 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

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

    2016-02-01

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

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

    Science.gov (United States)

    Zhakov, Sergey; Loskutov, Valentin

    2016-04-01

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

  7. Subsecond spin relaxation times in quantum dots at zero applied magnetic field due to a strong electron-nuclear interaction.

    Science.gov (United States)

    Oulton, R; Greilich, A; Verbin, S Yu; Cherbunin, R V; Auer, T; Yakovlev, D R; Bayer, M; Merkulov, I A; Stavarache, V; Reuter, D; Wieck, A D

    2007-03-09

    A key to ultralong electron spin memory in quantum dots (QDs) at zero magnetic field is the polarization of the nuclei, such that the electron spin is stabilized along the average nuclear magnetic field. We demonstrate that spin-polarized electrons in n-doped (In,Ga)As/GaAs QDs align the nuclear field via the hyperfine interaction. A feedback onto the electrons occurs, leading to stabilization of their polarization due to formation of a nuclear spin polaron [I. A. Merkulov, Phys. Solid State 40, 930 (1998)]. Spin depolarization of both systems is consequently greatly reduced, and spin memory of the coupled electron-nuclear spin system is retained over 0.3 sec at temperature of 2 K.

  8. High field nuclear magnetic resonance in transition metal substituted BaFe2As2

    Science.gov (United States)

    Garitezi, T. M.; Lesseux, G. G.; Rosa, P. F. S.; Adriano, C.; Reyes, A. P.; Kuhns, P. L.; Pagliuso, P. G.; Urbano, R. R.

    2014-05-01

    We report high field 75As nuclear magnetic resonance (NMR) measurements on Co and Cu substituted BaFe2As2 single crystals displaying same structural/magnetic transition T0≃128 K. From our anisotropy studies in the paramagnetic state, we strikingly found virtually identical quadrupolar splitting and consequently the quadrupole frequency νQ≃2.57(1) MHz for both compounds, despite the claim that each Cu delivers 2 extra 3d electrons in BaFe2As2 compared to Co substitution. These results allow us to conclude that a subtle change in the crystallographic structure, particularly in the Fe-As tetrahedra, must be the most probable tuning parameter to determine T0 in this class of superconductors rather than electronic doping. Furthermore, our NMR data around T0 suggest coexistence of tetragonal/paramagnetic and orthorhombic/antiferromagnetic phases between the structural and the spin density wave magnetic phase transitions, similarly to what was reported for K-doped BaFe2As2 [Urbano et al., Phys. Rev. Lett. 105, 107001 (2010)].

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

    CERN Document Server

    Dajda, N

    2002-01-01

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

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

    Science.gov (United States)

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

    2014-10-06

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

  11. Multi-dimensional Inversion Modeling of Surface Nuclear Magnetic Resonance (SNMR Data for Groundwater Exploration

    Directory of Open Access Journals (Sweden)

    Warsa

    2014-07-01

    Full Text Available Groundwater is an important economic source of water supply for drinking water and irrigation water for agriculture. Surface nuclear magnetic resonance (SNMR sounding is a relatively new geophysical method that can be used to determine the presence of culturally and economically important substances, such as subsurface water or hydrocarbon distribution. SNMR sounding allows the determination of water content and pore size distribution directly from the surface. The SNMR method is performed by stimulating an alternating current pulse through an antenna at the surface in order to confirm the existence of water in the subsurface. This paper reports the development of a 3-D forward modeling code for SNMR amplitudes and decay times, after which an improved 2-D and 3-D inversion algorithm is investigated, consisting of schemes for regularizing model parameterization. After briefly reviewing inversion schemes generally used in geophysics, the special properties of SNMR or magnetic resonance sounding (MRS inversion are evaluated. We present an extension of MRS to magnetic resonance tomography (MRT, i.e. an extension for 2-D and 3-D investigation, and the appropriate inversions.

  12. Structural investigation of α-LaZr2F11 by coupling X-ray powder diffraction, 19F solid state NMR and DFT calculations

    Science.gov (United States)

    Martineau, Charlotte; Legein, Christophe; Body, Monique; Péron, Olivier; Boulard, Brigitte; Fayon, Franck

    2013-03-01

    α-LaZr2F11 has been synthesized by solid state reaction. Its crystal structure has been refined from X-ray powder diffraction data (space group no. 72 Ibam, a=7.785(1) Å, b=10.086(1) Å and c=11.102(1) Å). α-LaZr2F11 contains one La, one Zr and four F inequivalent crystallographic sites. F3 and F4 are shared between one ZrF73- polyhedron and one LaF85- polyhedron, while F1 and F2 bridge two ZrF73- polyhedra. 19F 1D MAS NMR spectra of α-LaZr2F11 are in agreement with the proposed structural model. Assignment of the 19F resonances to the corresponding crystallographic sites has been performed on the basis of both their relative intensities and their correlation patterns in a 19F 2D dipolar-based double-quantum recoupling MAS NMR spectrum. DFT calculations of the 19F chemical shielding tensors have been performed using the GIPAW method implemented in the NMR-CASTEP code, for the experimental structure and two PBE-DFT geometry optimized structures of α-LaZr2F11 (atomic position optimization and full geometry optimization with rescaling of the unit cell volume to the experimental value). Computations were done with and without using a modified La pseudopotential allowing the treatment of the 4f localized empty orbitals of La3+. A relatively nice agreement between the experimental 19F isotropic and anisotropic chemical shifts and the values calculated for the proposed structural model is obtained.

  13. Diamond nitrogen vacancy electronic and nuclear spin-state anti-crossings under weak transverse magnetic fields

    Science.gov (United States)

    Clevenson, Hannah; Chen, Edward; Dolde, Florian; Teale, Carson; Englund, Dirk; Braje, Danielle

    2016-05-01

    We report on detailed studies of electronic and nuclear spin states in the diamond nitrogen vacancy (NV) center under moderate transverse magnetic fields. We numerically predict and experimentally verify a previously unobserved NV ground state hyperfine anti-crossing occurring at magnetic bias fields as low as tens of Gauss - two orders of magnitude lower than previously reported hyperfine anti-crossings at ~ 510 G and ~ 1000 G axial magnetic fields. We then discuss how this regime can be optimized for magnetometry and other sensing applications and propose a method for how the nitrogen-vacancy ground state Hamiltonian can be manipulated by small transverse magnetic fields to polarize the nuclear spin state. Acknowlegement: The Lincoln Laboratory portion of this work is sponsored by the Assistant Secretary of Defense for Research & Engineering under Air Force Contract #FA8721-05-C-0002. Opinions, interpretations, conclusions and recommendations are those of the authors and are not necessarily endorsed by the United States Government.

  14. Rationale for the combination of nuclear medicine with magnetic resonance for pre-clinical imaging.

    Science.gov (United States)

    Wagenaar, Douglas J; Kapusta, Maciej; Li, Junqiang; Patt, Bradley E

    2006-08-01

    Multi-modality combinations of SPECT/CT and PET/CT have proven to be highly successful in the clinic and small animal SPECT/CT and PET/CT are becoming the norm in the research and drug development setting. However, the use of ionizing radiation from a high-resolution CT scanner is undesirable in any setting and particularly in small animal imaging (SAI), in laboratory experiments where it can result in radiation doses of sufficient magnitude that the experimental results can be influenced by the organism's response to radiation. The alternative use of magnetic resonance (MR) would offer a high-resolution, non-ionizing method for anatomical imaging of laboratory animals. MR brings considerably more than its 3D anatomical capability, especially regarding the imaging of laboratory animals. Dynamic MR imaging techniques can facilitate studies of perfusion, oxygenation, and diffusion amongst others. Further, MR spectroscopy can provide images that can be related to the concentration of endogenous molecules in vivo. MR imaging of injected contrast agents extends MR into the domain of molecular imaging. In combination with nuclear medicine (NM) SPECT and PET modalities in small animal imaging, MR would facilitate studies of dynamic processes such as biodistribution, pharmacokinetics, and pharmacodynamics. However, the detectors for nearly all PET and SPECT systems are still based on vacuum tube technology, namely: photomultiplier tubes (PMT's) in which the signal is generated by transporting electrons over a substantial distance within an evacuated glass tube, making them inoperable in even small magnetic fields. Thus the combination of SPECT or PET with MR has not been practical until the recent availability of semiconductor detectors such as silicon avalanche photodiodes (APD's) for PET and CdZnTe (CZT) detectors for SPECT coupled with the availability of high-density low noise ASIC electronics to read out the semiconductor detectors. The strong advantage of these

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-07-01

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

  16. Nuclear magnetic relaxation study of poly(ethylene oxide)-lithium salt based electrolytes

    Science.gov (United States)

    Donoso, J. P.; Bonagamba, T. J.; Panepucci, H. C.; Oliveira, L. N.; Gorecki, W.; Berthier, C.; Armand, M.

    1993-06-01

    We have studied the low-temperature NMR line shape for three nuclei (1H, 7Li, and 19F) in poly(ethylene oxide)-lithium salts (LiClO4, LiBF4, and LiAsF6) solid polymer ionic conductors and measured their spin-lattice relaxation rates as functions of frequency and temperature. The three nuclei probe the dynamics of the polymer segments, the cations, and the anions. We find that the Li+ cations follow the segmental motion of the chain, while the anions move independently. Homonuclear interactions and heteronuclear interactions with the polymer and the anion contribute to the 7Li line shape. When the heteronuclear contributions were selectively eliminated by the decoupling method, it was found that the Li-H interaction accounts for 80%-90% of the linewidth. Additional evidence for the correlation between the cationic and the polymeric motions is provided by the remarkably similar temperature dependences of the measured relaxation rates for 7Li and 1H, which differ significantly from the dependence for 19F. The frequency dependence of the relaxation rates is poorly described by the Bloembergen, Purcell, and Pound model; a recently developed graphical procedure nevertheless shows that the motion of the protons and the anions is governed by a single time scale, while the 7Li ions are affected by an additional scale, associated with the coupling of its quadrupolar moment to the electric-field gradient.

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

    Science.gov (United States)

    Prischi, Filippo; Pastore, Annalisa

    2016-01-01

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

  18. Information flow and protein dynamics: the interplay between nuclear magnetic resonance spectroscopy and molecular dynamics simulations

    Science.gov (United States)

    Pastor, Nina; Amero, Carlos

    2015-01-01

    Proteins participate in information pathways in cells, both as links in the chain of signals, and as the ultimate effectors. Upon ligand binding, proteins undergo conformation and motion changes, which can be sensed by the following link in the chain of information. Nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations represent powerful tools for examining the time-dependent function of biological molecules. The recent advances in NMR and the availability of faster computers have opened the door to more detailed analyses of structure, dynamics, and interactions. Here we briefly describe the recent applications that allow NMR spectroscopy and MD simulations to offer unique insight into the basic motions that underlie information transfer within and between cells. PMID:25999971

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

    Science.gov (United States)

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

    2009-01-01

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

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

    CERN Document Server

    Tunnah, S K

    2000-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Tatsuya Fukushima

    2015-08-01

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

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

    Science.gov (United States)

    Morariu, V V; Petrov, L

    1986-07-01

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

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

    Science.gov (United States)

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

    2008-05-01

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

  4. The fragile-to-strong dynamic crossover transition in confined water: nuclear magnetic resonance results

    Science.gov (United States)

    Mallamace, F.; Broccio, M.; Corsaro, C.; Faraone, A.; Wanderlingh, U.; Liu, L.; Mou, C.-Y.; Chen, S. H.

    2006-04-01

    By means of a nuclear magnetic resonance experiment, we give evidence of the existence of a fragile-to-strong dynamic crossover transition (FST) in confined water at a temperature TL=223±2K. We have studied the dynamics of water contained in 1D cylindrical nanoporous matrices (MCM-41-S) in the temperature range 190-280K, where experiments on bulk water were so far hampered by crystallization. The FST is clearly inferred from the T dependence of the inverse of the self-diffusion coefficient of water (1/D) as a crossover point from a non-Arrhenius to an Arrhenius behavior. The combination of the measured self-diffusion coefficient D and the average translational relaxation time ⟨τT⟩, as measured by neutron scattering, shows the predicted breakdown of Stokes-Einstein relation in deeply supercooled water.

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

    Directory of Open Access Journals (Sweden)

    Hai-Yan Yu

    2016-10-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-08-01

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

  7. NATO Advanced Research Workshop on Explosives Detection Using Magnetic and Nuclear Resonance Techniques

    CERN Document Server

    Fraissard, Jacques

    2009-01-01

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

  8. {sup 23}Na nuclear magnetic resonance study of the structure and dynamic of natrolite

    Energy Technology Data Exchange (ETDEWEB)

    Paczwa, Mateusz; Olszewski, Marcin; Sergeev, Nikolaj [Szczecin Univ. (Poland). Inst. of Physics; Sapiga, Aleksej A.; Sapiga, Aleksej V. [Taurida National V.I. Vernadsky Univ., Simferopol, Crimea (Ukraine)

    2015-07-01

    The temperature dependences of nuclear magnetic resonance (NMR) and magic angle spinning (MAS) NMR spectra of {sup 23}Na nuclei in natrolite (Na{sub 2}Al{sub 2}Si{sub 3}O{sub 10} . 2H{sub 2}O) have been studied. The temperature dependences of the spin-lattice relaxation times T{sub 1} in natrolite have also been studied. It has been shown that the spin-lattice relaxation of the {sup 23}Na is governed by the electric quadrupole interaction with the crystal electric field gradients modulated by translational motion of H{sub 2}O molecules in the natrolite pores. The dipolar interactions with paramagnetic impurities become significant as a relaxation mechanism of the {sup 23}Na nuclei only at low temperature (<270 K).

  9. NMR (Nuclear Magnetic Resonance) and macromolecular migration in a melt or in concentrated solutions

    Science.gov (United States)

    Addad, J. P. C.

    1983-01-01

    The purpose of this paper is to analyze the migration process of long polymer molecules in a melt or in concentrated solutions as it may be observed from the dynamics of the transverse magnetization of nuclear spins linked to these chains. The low frequency viscoelastic relaxation of polymer systems is known to be mainly controlled by the mechanism of dissociation of topological constraints excited on chains and which are called entanglements. This mechanism exhibits a strong dependence upon the chain molecular weight. These topological constraints also govern the diffusion process of polymer chains. So, the accurate description of the diffusion motion of a chain may be a convenient way to characterize disentanglement processes necessarily involved in any model proposed to explain viscoelastic effects.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-07-15

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

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

    Indian Academy of Sciences (India)

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

    2002-08-01

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

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

    Indian Academy of Sciences (India)

    Eugene Stephane Mananga

    2015-12-01

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

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

    CERN Document Server

    Han, J W

    1998-01-01

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

  14. The Determination of Deuterium and Tritium in Effluent Wastewater by Pulsed Nuclear Magnetic Resonance Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Attalla, A.; Birkbeck, J. C.

    1985-04-01

    A pulsed nuclear magnetic resonance (NMR) procedure was developed for the quantitative determination of deuterium and tritium in radioactive, effluent, wastewater to aid in the design of an efficient combined electrolytic/catalytic exchange system for the recovery of these hydrogen isotopes. The deuterium and tritium NMR signals were observed at 9.210 and 45.7 MHz, respectively. Ten different effluent water samples were analyzed for deuterium and tritium to establish base-line data for the preparation of standard reference samples. The hydrogen isotope concentrations ranged from 0.11 to 2.40 g deuterium and from 2.0 to 21.0 mg tritium per liter of processed sample. The standard deviation of the hydrogen isotope determinations is +- 0.017 g deuterium and +- 0.06 mg tritium per liter of processed effluent water. In the future, the effectiveness of specially prepared and analyzed (calorimetry) effluent samples as tritium standards will be investigated.

  15. Nuclear magnetic polarizability and the slope of the Thomas-Reiche-Kuhn-Levinger-Bethe sum rule

    CERN Document Server

    Gorchtein, Mikhail

    2015-01-01

    Thomas-Reiche-Kuhn-Levinger-Bethe sum rule that relates the strength of the photoexcitation of the giant dipole resonance in a nucleus to the number of elementary scatterers-protons within that nucleus by means of a subtracted forward dispersion relation. I extend this dispersion relation consideration to the case of virtual photons and show that the size of the magnetic polarizability of a nucleus, under the assumption of a separation between the nuclear and hadronic scales, may be related to the slope of the transverse virtual photoabsorption cross section integrated over the energy. I check this approximate sum rule for the deuteron where necessary data is available, discuss possible applications and connection with other sum rules postulated in the literature.

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

    Energy Technology Data Exchange (ETDEWEB)

    Mannina, L.; Segre, A.

    2002-07-01

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

  17. Chirality-sensitive nuclear magnetic resonance effects induced by indirect spin-spin coupling

    Science.gov (United States)

    Garbacz, P.; Buckingham, A. D.

    2016-11-01

    It is predicted that, for two spin-1/2 nuclei coupled by indirect spin-spin coupling in a chiral molecule, chirality-sensitive induced electric polarization can be observed at the frequencies equal to the sum and difference between the spin resonance frequencies. Also, an electric field oscillating at the difference frequency can induce spin coherences which allow the direct discrimination between enantiomers by nuclear magnetic resonance. The dominant contribution to the magnitude of these expected chiral effects is proportional to the permanent electric dipole moment and to the antisymmetric part of the indirect spin-spin coupling tensor of the chiral molecule. Promising compounds for experimental tests of the predictions are derivatives of 1,3-difluorocyclopropene.

  18. Observation of Time-Invariant Coherence in a Nuclear Magnetic Resonance Quantum Simulator.

    Science.gov (United States)

    Silva, Isabela A; Souza, Alexandre M; Bromley, Thomas R; Cianciaruso, Marco; Marx, Raimund; Sarthour, Roberto S; Oliveira, Ivan S; Lo Franco, Rosario; Glaser, Steffen J; deAzevedo, Eduardo R; Soares-Pinto, Diogo O; Adesso, Gerardo

    2016-10-14

    The ability to live in coherent superpositions is a signature trait of quantum systems and constitutes an irreplaceable resource for quantum-enhanced technologies. However, decoherence effects usually destroy quantum superpositions. It was recently predicted that, in a composite quantum system exposed to dephasing noise, quantum coherence in a transversal reference basis can stay protected for an indefinite time. This can occur for a class of quantum states independently of the measure used to quantify coherence, and it requires no control on the system during the dynamics. Here, such an invariant coherence phenomenon is observed experimentally in two different setups based on nuclear magnetic resonance at room temperature, realizing an effective quantum simulator of two- and four-qubit spin systems. Our study further reveals a novel interplay between coherence and various forms of correlations, and it highlights the natural resilience of quantum effects in complex systems.

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

    Institute of Scientific and Technical Information of China (English)

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

    2008-01-01

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

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

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

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

  1. General and hybrid correlation nuclear magnetic resonance analysis of phosphorus in Phytophthora palmivora.

    Science.gov (United States)

    Kirwan, Gemma M; Fernandez, David I; Niere, Julie O; Adams, Michael J

    2012-10-01

    Generalized two-dimensional (Gen2D) correlation analysis and hybrid correlation analysis have been applied to a series of dynamic (31)P nuclear magnetic resonance (NMR) spectra to monitor the in vivo metabolic changes of the plant pathogen Phytophthora palmivora in the presence and absence of phosphonate over an 18-h period. Results indicate that phosphonate exposure causes cleavage in organism polyphosphate chains as well as an increase in total sugar phosphates. In the presence of phosphonate, the NMR resonances attributed to terminal polyphosphate phosphorus reduced at a lower rate than those of middle polyphosphate phosphorus, indicating a change in average chain length and suggesting cleavage in the middle of the chain as well as at the ends. The correlation analysis techniques serve to identify and confirm spectral regions undergoing major change in the time-series data and facilitate the analysis of these dynamic changes.

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

    Science.gov (United States)

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

    1997-01-01

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

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

    Science.gov (United States)

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

    2015-10-01

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

  4. 77Se nuclear magnetic resonance of topological insulator Bi2Se3

    Science.gov (United States)

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

    2016-05-01

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

  5. Information Flow and Protein Dynamics: the Interplay Between Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations

    Directory of Open Access Journals (Sweden)

    Nina ePastor

    2015-05-01

    Full Text Available Proteins participate in information pathways in cells, both as links in the chain of signals, and as the ultimate effectors. Upon ligand binding, proteins undergo conformation and motion changes, which can be sensed by the following link in the chain of information. Nuclear magnetic resonance (NMR spectroscopy and molecular dynamics (MD simulations represent powerful tools for examining the time-dependent function of biological molecules. The recent advances in NMR and the availability of faster computers have opened the door to more detailed analyses of structure, dynamics and interactions. Here we briefly describe the recent applications that allow NMR spectroscopy and MD simulations to offer unique insight into the basic motions that underlie information transfer within and between cells.

  6. Disordered nuclear pasta, magnetic field decay, and crust cooling in neutron stars

    CERN Document Server

    Horowitz, C J; Briggs, C M; Caplan, M E; Cumming, A; Schneider, A S

    2014-01-01

    Nuclear pasta, with non-spherical shapes, is expected near the base of the crust in neutron stars. Large scale molecular dynamics simulations of pasta show long lived topological defects that could increase electron scattering and reduce both the thermal and electrical conductivities. We model a possible low conductivity pasta layer by increasing an impurity parameter Q_{imp}. Predictions of light curves for the low mass X-ray binary MXB 1659-29, assuming a large Q_{imp}, find continued late time cooling that is consistent with Chandra observations. The electrical and thermal conductivities are likely related. Therefore observations of late time crust cooling can provide insight on the electrical conductivity and the possible decay of neutron star magnetic fields (assuming these are supported by currents in the crust).

  7. 13C Solid State Nuclear Magnetic Resonance and µ-Raman Spectroscopic Characterization of Sicilian Amber.

    Science.gov (United States)

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

    2016-08-01

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

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

    Institute of Scientific and Technical Information of China (English)

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

    2011-01-01

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

  9. The fragile-to-strong dynamic crossover transition in confined water: nuclear magnetic resonance results.

    Science.gov (United States)

    Mallamace, F; Broccio, M; Corsaro, C; Faraone, A; Wanderlingh, U; Liu, L; Mou, C-Y; Chen, S H

    2006-04-28

    By means of a nuclear magnetic resonance experiment, we give evidence of the existence of a fragile-to-strong dynamic crossover transition (FST) in confined water at a temperature T(L)=223+/-2 K. We have studied the dynamics of water contained in 1D cylindrical nanoporous matrices (MCM-41-S) in the temperature range 190-280 K, where experiments on bulk water were so far hampered by crystallization. The FST is clearly inferred from the T dependence of the inverse of the self-diffusion coefficient of water (1D) as a crossover point from a non-Arrhenius to an Arrhenius behavior. The combination of the measured self-diffusion coefficient D and the average translational relaxation time tau(T), as measured by neutron scattering, shows the predicted breakdown of Stokes-Einstein relation in deeply supercooled water.

  10. Impurity detection in alkali-metal vapor cells via nuclear magnetic resonance

    Science.gov (United States)

    Patton, B.; Ishikawa, K.

    2016-11-01

    We use nuclear magnetic resonance spectroscopy of alkali metals sealed in glass vapor cells to perform in situ identification of chemical contaminants. The alkali Knight shift varies with the concentration of the impurity, which in turn varies with temperature as the alloy composition changes along the liquidus curve. Intentional addition of a known impurity validates this approach and reveals that sodium is often an intrinsic contaminant in cells filled with distilled, high-purity rubidium or cesium. Measurements of the Knight shift of the binary Rb-Na alloy confirm prior measurements of the shift's linear dependence on Na concentration, but similar measurements for the Cs-Na system demonstrate an unexpected nonlinear dependence of the Knight shift on the molar ratio. This non-destructive approach allows monitoring and quantification of ongoing chemical processes within the kind of vapor cells which form the basis for precise sensors and atomic frequency standards.

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

    Science.gov (United States)

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

    2016-01-20

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1983-02-01

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

  13. Nuclear magnetic resonance in contemporary art: the case of "Moon Surface" by Turcato

    Science.gov (United States)

    Proietti, Noemi; Di Tullio, Valeria; Capitani, Donatella; Tomassini, Roberta; Guiso, Marcella

    2013-12-01

    Nuclear Magnetic Resonance (NMR) methodologies were applied to characterize the constitutive materials and the state of degradation of a contemporary painting. The investigation was mandatory to plan a suitable restoration. Noninvasive, portable NMR allowed the detection of degraded regions of the painting based on the measurement of longitudinal relaxation time. A few samples were investigated by high resolution solid state NMR and NMR in solution, which allowed us to identify the polyurethane constituting the artefact, to investigate the microstructure in detail, and to assess that the degradation process mostly affected the ethylene units used to cap the polypropylene oxide polymeric chain. As a matter of fact, a shortening of longitudinal relaxation time was accompanied by a degradation of ethylene units. The degradation of the inorganic loading was investigated by 27Al MAS, which evidenced the absence of penta-coordinated aluminum in degraded samples.

  14. Solid state 31phosphorus nuclear magnetic resonance of iron-, manganese-, and copper-containing synthetic hydroxyapatites

    Science.gov (United States)

    Sutter, B.; Taylor, R. E.; Hossner, L. R.; Ming, D. W.

    2002-01-01

    The incorporation of micronutrients into synthetic hydroxyapatite (SHA) is proposed for slow release of these nutrients to crops in the National Aeronautics and Space Administration's (NASA's) Advanced Life Support (ALS) program for Lunar or Martian outposts. Solid state 31P nuclear magnetic resonance (NMR) was utilized to examine the paramagnetic effects of Fe3+, Mn2+, and Cu2+ to determine if they were incorporated into the SHA structure. Separate Fe3+, Mn2+, and Cu2+ containing SHA materials along with a transition metal free SHA (pure-SHA) were synthesized using a precipitation method. The proximity (concentrations were incorporated in the SHA structure. Iron-, Mn-, and Cu-containing SHA are potential slow release sources of Fe, Mn, and Cu in the ALS cropping system.

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

    Science.gov (United States)

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

    2011-07-13

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

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

    NARCIS (Netherlands)

    Robillard, G.; Shulman, R.G.

    1974-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Xiao J

    2016-08-01

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

  18. Use of relativistic hadronic mechanics for the exact representation of nuclear magnetic moments and the prediction of new recycling of nuclear waste

    CERN Document Server

    Santilli, R M

    1997-01-01

    We present a new realization of relativistic hadronic me- chanics and its underlying iso-Poincar'e symmetry specifically constructed for nuclear physics which: 1) permits the representation of nucleons as ex- tended, nonspherical and deformable charge distributions with alterable mag- netic moments yet conventional angular momentum and spin; 2) results to be a nonunitary ``completion'' of relativistic quantum mechanics much along the EPR argument; yet 3) is axiom-preserving, thus preserves conventional quantum laws and the axioms of the special relativity. We show that the proposed new formalism permits the apparently first exact representation of the total magnetic moments of new-body nuclei under conventional physical laws. We then point out that, if experimentally confirmed the alterability of the intrinsic characteristics of nucleons would imply new forms of recycling nuclear waste by the nuclear power plants in their own site, thus avoiding its transportation and storage in a (yet unidentified) dumping a...

  19. Effect of Magnetic Field on the Phase Transition from Nuclear Matter to Quark Matter during Proto-Neutron Star Evolution

    CERN Document Server

    Gupta, V K; Singh, S; Anand, J D; Gupta, Asha

    2002-01-01

    We have studied phase transition from hadron matter to quark matter in the presence of high magnetic fields incorporating the trapped electron neutrinos at finite temperatures. We have used the density dependent quark mass (DDQM) model for the quark phase while the hadron phase is treated in the frame-work of relativistic mean field theory. It is seen that the nuclear energy at phase transition decreases with both magnetic field and temperature. A brief discussion of the effect of magnetic field in supernova explosions and proto-neutron star evolution is given.

  20. Para-hydrogen raser delivers sub-millihertz resolution in nuclear magnetic resonance

    Science.gov (United States)

    Suefke, Martin; Lehmkuhl, Sören; Liebisch, Alexander; Blümich, Bernhard; Appelt, Stephan

    2017-06-01

    The precision of nuclear magnetic resonance spectroscopy (NMR) is limited by the signal-to-noise ratio, the measurement time Tm and the linewidth Δν = 1/(πT2). Overcoming the T 2 limit is possible if the nuclear spins of a molecule emit continuous radio waves. Lasers and masers are self-organized systems which emit coherent radiation in the optical and micro-wave regime. Both are based on creating a population inversion of specific energy states. Here we show continuous oscillations of proton spins of organic molecules in the radiofrequency regime (raser). We achieve this by coupling a population inversion created through signal amplification by reversible exchange (SABRE) to a high-quality-factor resonator. For the case of 15N labelled molecules, we observe multi-mode raser activity, which reports different spin quantum states. The corresponding 1H-15N J-coupled NMR spectra exhibit unprecedented sub-millihertz resolution and can be explained assuming two-spin ordered quantum states. Our findings demonstrate a substantial improvement in the frequency resolution of NMR.

  1. Position control of active magnetic levitation using sphere-shaped HTS bulk for inertial nuclear fusion

    Science.gov (United States)

    Suga, K.; Riku, K.; Agatsuma, K.; Ueda, H.; Ishiyama, A.

    2008-02-01

    We have developed an active magnetic levitation system that comprises a field-cooled disk-shaped or sphere-shaped HTS bulk and multiple ring-shaped electromagnets. In this system, the levitation height of HTS bulk can be controlled by adjusting the operating current of each electromagnet individually. Further, the application of the vertical noncontact levitation system is expected due to its levitation stability without mechanical supports. We assume that this system is applied to inertial nuclear fusion. However, one of the important issues is to achieve position control with high accuracy of the fusion fuel in order to illuminate the target evenly over the entire surface. Therefore, this system is applied to the levitation and position control of a sphere-shaped superconducting capsule containing nuclear fusion fuel. In this study, we designed and constructed a position control system for the sphere-shaped HTS bulk with a diameter of 5 mm by using numerical simulation based on hybrid finite element and boundary element analysis. We then carried out the experiment of levitation height and position control characteristics of the HTS bulk in this system. With regard to position control, accuracies within 59 ?m are obtained.

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

    Energy Technology Data Exchange (ETDEWEB)

    Baltisberger, J.H.

    1993-06-01

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

  3. The phase diagram and the magnetic structure of nuclear spins in elemental copper below 60 nK

    DEFF Research Database (Denmark)

    Siemensmeyer, K.; Steiner, M.; Weinfurther, H.;

    1992-01-01

    The phase diagram for nuclear magnetic order is elemental copper and the corresponding ordering vectors were investigated by neutron diffraction at nanokelvin temperatures. The intermediate phase is characterized by an ordering vector (O 2/3 2/3). This is the first time that this type of order is...... is observed in an fcc antiferromagnet....

  4. Anomalous magnetic fluctuations in superconducting Sr2RuO4 revealed by 101Ru nuclear spin-spin relaxation

    Science.gov (United States)

    Manago, Masahiro; Yamanaka, Takayoshi; Ishida, Kenji; Mao, Zhiqiang; Maeno, Yoshiteru

    2016-10-01

    We carried out 101Ru nuclear quadrupole resonance (NQR) measurement on superconducting (SC) Sr2RuO4 under zero magnetic field (H =0 ) and found that the nuclear spin-spin relaxation rate 1 /T2 is enhanced in the SC state. The 1 /T2 measurement in the SC state under H =0 is effective for detecting slow magnetic fluctuations parallel to the quantized axis of the nuclear spin. Our results indicate that low-energy magnetic fluctuations perpendicular to the RuO2 plane emerge when the superconductivity sets in, which is consistent with the previous 17O-NQR result that the nuclear spin-lattice relaxation rate 1 /T1 of the in-plane O site exhibits anomalous behavior in the SC state. The enhancement of the magnetic fluctuations in the SC state is unusual and suggests that the fluctuations are related to the unconventional SC pairing. We suggest that this phenomenon is a consequence of the spin degrees of freedom of the spin-triplet pairing.

  5. Phytate Hydrolysis in Rat Gastrointestinal Tracts, as Observed by 31P Fourier Transform Nuclear Magnetic Resonance Spectroscopy

    OpenAIRE

    Wise, Alan; Richards, Colin P.; Trimble, Mary L.

    1983-01-01

    Phytate hydrolysis was followed through rat gastrointestinal tracts by 31P nuclear magnetic resonance spectroscopy. No phytate hydrolysis products were detected in the diet, stomach, or small intestine. It was concluded that cecal bacteria were responsible for phytate hydrolysis, which continued in the colon and fecal pellet.

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

    NARCIS (Netherlands)

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

    1988-01-01

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

  7. Cesium removal from nuclear waste using a magnetical CuHCNPAN nano composite

    Science.gov (United States)

    Mobtaker, Hossein Ghasemi; Yousefi, Taher; Pakzad, Seyed Mohammadreza

    2016-12-01

    A nano-composite of copper hexacyanoferrate@polyacrylonitrile@magnetite (CuHCNPAN) was synthesized through chemical co-precipitation. The product were characterized using FT IR, XRD, SEM and TG techniques. The results of FTIR, XRD confirmed the composite formation. The SEM images showed that the particles are 20-60 nm in diameter. The composite showed high mechanical, chemical and thermal stability. The nano composite was used for removal of cesium ions from waste solutions. Effect of various parameters such as contact time, initial concentration, pH, competition ions and temperature were studied. After the metal ion adsorption process the magnetic separation of adsorbent from absorbents was carried out through external magnetic field. Maximum sorption capacity was about 260 mg/g. The kinetic studies showed that the equilibrium was achieved at 5 h and the experimental data fitted by the second order model. The adsorption isotherm was best modeled by Longmuir isotherm. The endothermic and spontaneous (and entropy increasing) nature of sorption process were approved by thermodynamic results. The results cleared which the synthesized CuHCNPAM composite is promising adsorbent for removal of cesium ions from nuclear waste.

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

    Science.gov (United States)

    Meier, Thomas; Haase, Jürgen

    2015-12-01

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

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

    KAUST Repository

    Mroué, Kamal H.

    2010-02-01

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

  10. Parameter analysis for a nuclear magnetic resonance gyroscope based on 133Cs–129Xe/131Xe

    Science.gov (United States)

    Zhang, Da-Wei; Xu, Zheng-Yi; Zhou, Min; Xu, Xin-Ye

    2017-02-01

    We theoretically investigate several parameters for the nuclear magnetic resonance gyroscope based on 133Cs–129Xe/131Xe. For a cell containing a mixture of 133Cs at saturated pressure, we investigate the optimal quenching gas (N2) pressure and the corresponding pump laser intensity to achieve 30% 133Cs polarization at the center of the cell when the static magnetic field B 0 is 5 {{μ }}{{T}} with different 129Xe/131Xe pressure. The effective field produced by spin-exchange polarized 129Xe or 131Xe sensed by 133Cs can also be discussed in different 129Xe/131Xe pressure conditions. Furthermore, the relationship between the detected signal and the probe laser frequency is researched. We obtain the optimum probe laser detuning from the D2 (6{}2{{S}}1/2\\to 6{}2{{P}}3/2) resonance with different 129Xe/131Xe pressure owing to the pressure broadening. Project supported by the National High Technology Research and Development Program of China (Grant No. 2014AA123401), the National Key Basic Research and Development Program of China (Grant Nos. 2016YFA0302103 and 2012CB821302), the National Natural Science Foundation of China (Grant 11134003), and Shanghai Excellent Academic Leaders Program of China (Grant No. 12XD1402400).

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-15

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

  12. Nonuniform backbone conformation of deoxyribonucleic acid indicated by phosphorus-31 nuclear magnetic resonance chemical shift anisotropy.

    Science.gov (United States)

    Shindo, H; Wooten, J B; Pheiffer, B H; Zimmerman, S B

    1980-02-05

    31P nuclear magnetic resonance of highly oriented DNA fibers has been observed for three different conformations, namely, the A, B, and C forms of DNA. At a parallel orientation of the fiber axis with respect to the magnetic field, DNA fibers in both the A and B forms exhibit a single, abnormally broad resonance; in contrast, fibers in the C form show almost the full span of the chemical shift anisotropy (170 ppm). The spectra of the fibers oriented perpendicular indicate that the DNA molecules undergo a considerable rotational motion about the helical axis, with a rate of greater than 2 x 10(3) s-1 for the B-form DNA. Theoretical considerations indicate that the 31P chemical shift data for the B-form DNA fibers are consistent with the atomic coordinates of the phosphodiester group proposed by Langridge et al. [Langridge, R., Wilson, H. R. Hooper, C. W., Wilkins, M. H. F., & Hamilton, L. D. (1960) J. Mol. Biol. 2, 19--37] but not with the corresponding coordinates proposed by Arnott and Hukins [Arnott, S., & Hukins, D. W. L. (1972) Biochem. Biophys. Res. Coomun. 47, 1504--1509], and also lead to the conclusion that the phosphodiester orientation must vary significantly along the DNA molecule. The latter result suggests that DNA has significant variations in its backbone conformation along the molecule.

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

    Institute of Scientific and Technical Information of China (English)

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

    2013-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Parienty, R.; Lavayssiere, R.

    1983-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1988-01-01

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

  16. Nobel Prize in Chemistry 1991 "for his contributions to the development of the methodology of high resolution nuclear magnetic resonance (NMR) spectroscopy": Richard R. Ernst

    CERN Multimedia

    1992-01-01

    Prof. Richard R. Ernst presents "The domestication of nuclear spins by chemists and biologists".The usage of nuclear spins in chemistry and biology for exploring the structure and dynamics of matter is discussed. The main emphasis is put on the methodological aspects of multidimensional nuclear magnetic resonance (NMR) spectroscopy that are responsible for the success of this powerful analytical technique.

  17. New Methodology For Use in Rotating Field Nuclear MagneticResonance

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-01-01

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

  18. New Methodology For Use in Rotating Field Nuclear MagneticResonance

    Energy Technology Data Exchange (ETDEWEB)

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

    2007-05-18

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

  19. p -shell carrier assisted dynamic nuclear spin polarization in single quantum dots at zero external magnetic field

    Science.gov (United States)

    Fong, C. F.; Ota, Y.; Harbord, E.; Iwamoto, S.; Arakawa, Y.

    2016-03-01

    Repeated injection of spin-polarized carriers in a quantum dot (QD) leads to the polarization of nuclear spins, a process known as dynamic nuclear spin polarization (DNP). Here, we report the observation of p-shell carrier assisted DNP in single QDs at zero external magnetic field. The nuclear field—measured by using the Overhauser shift of the singly charged exciton state of the QDs—continues to increase, even after the carrier population in the s-shell saturates. This is also accompanied by an abrupt increase in nuclear spin buildup time as p-shell emission overtakes that of the s shell. We attribute the observation to p-shell electrons strongly altering the nuclear spin dynamics in the QD, supported by numerical simulation results based on a rate equation model of coupling between electron and nuclear spin system. Dynamic nuclear spin polarization with p-shell carriers could open up avenues for further control to increase the degree of nuclear spin polarization in QDs.

  20. Fast high-resolution nuclear magnetic resonance spectroscopy through indirect zero-quantum coherence detection in inhomogeneous fields

    Science.gov (United States)

    Ke, Han-Ping; Chen, Hao; Lin, Yan-Qin; Wei, Zhi-Liang; Cai, Shu-Hui; Zhang, Zhi-Yong; Chen, Zhong

    2014-06-01

    In many cases, high-resolution nuclear magnetic resonance (NMR) spectra are virtually impossible to obtain by conventional nuclear magnetic resonance methods because of inhomogeneity of magnetic field and inherent heterogeneity of sample. Although conventional intramolecular zero-quantum coherence (ZQC) can be used to obtain high-resolution spectrum in inhomogeneous field, the acquisition takes rather long time. In this paper, a spatially encoded intramolecular ZQC technique is proposed to fast acquire high-resolution NMR spectrum in inhomogeneous field. For the first time, the gradient-driven decoding technique is employed to selectively acquire intramolecular ZQC signals. Theoretical analyses and experimental observations demonstrate that high-resolution NMR spectral information can be retrieved within several scans even when the field inhomogeneity is severe enough to erase most spectral information. This work provides a new way to enhance the acquisition efficiency of high-resolution intramolecular ZQC spectroscopy in inhomogeneous fields.

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

    CERN Document Server

    Modarress, H

    2003-01-01

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

  2. Determination of magnitudes and relative signs of 1H-19F coupling constants through 1D- and 2D-TOCSY experiments.

    Science.gov (United States)

    Espinosa, Juan F

    2013-12-20

    A novel methodology based on 1D- and 2D-TOCSY experiments is described for a quick and accurate measurement of proton-fluorine coupling constants in fluorinated organic compounds. The magnitude of the (1)H-(19)F coupling was measured from the displacement between the relayed peaks associated with the α or β spin state of the fluorine, and its relative sign was derived from the sense of the displacement.

  3. Study of the Halogen Bonding between Pyridine and Perfluoroalkyl Iodide in Solution Phase Using the Combination of FTIR and 19F NMR

    Directory of Open Access Journals (Sweden)

    Briauna Hawthorne

    2013-01-01

    Full Text Available Halogen bonding between pyridine and heptafluoro-2-iodopropane (iso-C3F7I/heptafluoro-1-iodopropane (1-C3F7I was studied using a combination of FTIR and 19F NMR. The ring breathing vibration of pyridine underwent a blue shift upon the formation of halogen bonds with both iso-C3F7I and 1-C3F7I. The magnitudes of the shifts and the equilibrium constants for the halogen-bonded complex formation were found to depend not only on the structure of the halocarbon, but also on the solvent. The halogen bond also affected the Cα-F (C-F bond on the center carbon bending and stretching vibrations in iso-C3F7I. These spectroscopic effects show some solvent dependence, but more importantly, they suggest the possibility of intermolecular halogen bonding among iso-C3F7I molecules. The systems were also examined by 19F NMR in various solvents (cyclohexane, hexane, chloroform, acetone, and acetonitrile. NMR dilution experiments support the existence of the intermolecular self-halogen bonding in both iso-C3F7I and 1-C3F7I. The binding constants for the pyridine/perfluoroalkyl iodide halogen bonding complexes formed in various solvents were obtained through NMR titration experiments. Quantum chemical calculations were used to support the FTIR and 19F NMR observations.

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

    Science.gov (United States)

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

    2017-09-13

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

  5. High resolution nuclear magnetic resonance: From chemical structure to food authenticity

    Directory of Open Access Journals (Sweden)

    Segre, Annalaura

    2002-03-01

    Full Text Available Nuclear magnetic resonance (NMR is a powerful technique able to give us a relevant contribution in food analysis. In this review, some practical aspects of this technique (sample preparation, acquisition time, relaxation delay, etc as well as some methods of spectral assignment of the spectra (2D and 1D selective technique are reported. Some examples of NMR quantitative analyses are reported. In particular, the results relative to the NMR study of olive oils are discussed, among these: the comparison between conventional analyses and the NMR analysis in the olive oil characterization; the NMR determination of minor components such as squalene, cyclo-arthenol and chlorophyll in olive oil; the panel test and its relationship with NMR data; the geographical characterization of olive oils.La resonancia magnética nuclear (RMN es una técnica poderosa capaz de generar una contribución relevante en análisis de alimentos. En esta revisión, se describen algunos aspectos prácticos de la técnica (preparación de la muestra, tiempo de adquisición, retraso en la relajación, etc junto con algunos métodos espectrales de asignación del espectro (técnicas selectivas 2D y 1D. También se describen algunos ejemplos del análisis cuantitativo. En particular, se discuten los resultados relativos al estudio RMN de los aceites de oliva, entre estos: la comparación entre los análisis convencionales y los análisis por RMN en la caracterización del aceite de oliva; la determinación de componentes menores del aceite de oliva, como el escualeno, cicloartenol y clorofilas; el panel sensorial y su relación con los datos de RMN; y la caracterización geográfica de los aceites de oliva.

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

    Science.gov (United States)

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

    2016-04-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-09-30

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

  8. Development of Nuclear Magnetic Resonance Pulse Sequences and Probes to Study Biomacromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Cosman, M; Krishnan, V V; Maxwell, R

    2001-02-26

    The determination of the three dimensional structures at high resolution of biomolecules, such as proteins and nucleic acids, enables us to understand their function at the molecular level. At the present time, there are only two methods available for determining such structures, nuclear magnetic resonance (NMR) spectroscopy and X-ray diffraction. Compared to well-established X-ray diffraction techniques, NMR methodology is relatively new and has many areas in which improvement can still be attained. In this project, we focused on the development of new NMR probes and pulse sequences that were tailored to tackle specific problems that are not adequately addressed by current technology. Probes are the hardware that contain the radio frequency (RF) circuitry used to both excite and detect the NMR signals. Pulse sequences are composed of a series of RF pulses and delays, which are applied to the sample held within the magnetic field by the probe, so as to manipulate the nuclear spins. Typically, a probe is developed for a specific set of nuclei and types of experiments and the pulse sequences are then written to use the probe in an optimal manner. In addition, the inter-development of instrumentation and methods are determined by the specific biological question to be examined. Thus our efforts focused on addressing an area of importance in NMR Structural Biology namely more effective ways to use the phosphorus ({sup 31}P) nucleus. Phosphorus is a very important biological element that is strategically located in nucleic acids, where it imparts negative charge and flexibility to RNA and DNA. It is also a component of the cellular membrane and thus interacts with membrane proteins. It is used in mechanisms to signal, activate or deactivate enzymes; and participates in energy storage and release. However, the phosphorus nucleus exhibits certain properties, such as poor spectral dispersion, low sensitivity of detection, and fast relaxation, which limit its effective use

  9. Zero-quantum stochastic dipolar recoupling in solid state nuclear magnetic resonance.

    Science.gov (United States)

    Qiang, Wei; Tycko, Robert

    2012-09-14

    We present the theoretical description and experimental demonstration of a zero-quantum stochastic dipolar recoupling (ZQ-SDR) technique for solid state nuclear magnetic resonance (NMR) studies of (13)C-labeled molecules, including proteins, under magic-angle spinning (MAS). The ZQ-SDR technique combines zero-quantum recoupling pulse sequence blocks with randomly varying chemical shift precession periods to create randomly amplitude- and phase-modulated effective homonuclear magnetic dipole-dipole couplings. To a good approximation, couplings between different (13)C spin pairs become uncorrelated under ZQ-SDR, leading to spin dynamics (averaged over many repetitions of the ZQ-SDR sequence) that are fully described by an orientation-dependent N × N polarization transfer rate matrix for an N-spin system, with rates that are inversely proportional to the sixth power of internuclear distances. Suppression of polarization transfers due to non-commutivity of pairwise couplings (i.e., dipolar truncation) does not occur under ZQ-SDR, as we show both analytically and numerically. Experimental demonstrations are reported for uniformly (13)C-labeled L-valine powder (at 14.1 T and 28.00 kHz MAS), uniformly (13)C-labeled protein GB1 in microcrystalline form (at 17.6 T and 40.00 kHz MAS), and partially labeled (13)C-labeled protein GB1 (at 14.1 T and 40.00 kHz MAS). The experimental results verify that spin dynamics under ZQ-SDR are described accurately by rate matrices and suggest the utility of ZQ-SDR in structural studies of (13)C-labeled solids.

  10. Diffusion tensor analysis with nuclear magnetic resonance in human central nervous system

    Energy Technology Data Exchange (ETDEWEB)

    Nakayama, Naoki [Hokkaido Univ., Sapporo (Japan). School of Medicine

    1998-07-01

    Nuclear magnetic resonance has been used to measure the diffusivity of water molecules. In central nervous system, anisotropic diffusion, which is characterized by apparent diffusion tensor D{sub app}{sup {xi}}, is thought to be related to neuronal fiber tract orientation. For precise observation of anisotropic diffusion, it is needed to determine the diagonal and off-diagonal elements of D{sub app}{sup {xi}}. Once D{sub app}{sup {xi}} is estimated from a series of diffusion weighted images, a tissue`s orthotropic principal axes and diffusivity of each direction are determined from eigenvalues and eigenvectors of D{sub app}{sup {xi}}. There are several methods to represent anisotropic diffusion with D{sub app}{sup {xi}}. Examples are diffusion ellipsoids constructed in each voxel depicting both these principal axes and the mean diffusion length in these directions, trace invariant values and its mapping image, largest eigenvalue, and ratio of largest eigenvalue to the other eigenvalue. In this study, the author investigated practical procedure to analyze diffusion tensor D{sub app}{sup {xi}} using both of spin-echo end echo-planer diffusion weighted imagings with 3-tesla magnetic resonance machine in human brain. The ellipsoid representation provided particularly useful information about microanatomy including neuronal fiber tract orientation and molecular mobility reflective of microstructure. Furthermore, in the lesion of Wallerian degeneration, the loss of anisotropy of local apparent diffusion was observed. It is suggested that the function of axons can be observed via degree of anisotropy of apparent diffusion. Consequently, diffusion tensor analysis is expected to be a powerful, noninvasive method capable of quantitative and functional evaluation of the central nervous system. (author)

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

    Science.gov (United States)

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

    2014-12-07

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

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

    Science.gov (United States)

    Mitchell, J.; Chandrasekera, T. C.

    2014-12-01

    The nuclear magnetic resonance transverse relaxation time T2, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T2 provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T2 distributions demands appropriate processing of the measured data since T2 is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form -ant_e^k (where n is the number and te the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T2 distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries.

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

    Energy Technology Data Exchange (ETDEWEB)

    Mitchell, J., E-mail: JMitchell16@slb.com [Schlumberger Gould Research, High Cross, Madingley Road, Cambridge CB3 0EL (United Kingdom); Chandrasekera, T. C. [Department of Chemical Engineering and Biotechnology, University of Cambridge, Pembroke Street, Cambridge CB2 3RA (United Kingdom)

    2014-12-14

    The nuclear magnetic resonance transverse relaxation time T{sub 2}, measured using the Carr-Purcell-Meiboom-Gill (CPMG) experiment, is a powerful method for obtaining unique information on liquids confined in porous media. Furthermore, T{sub 2} provides structural information on the porous material itself and has many applications in petrophysics, biophysics, and chemical engineering. Robust interpretation of T{sub 2} distributions demands appropriate processing of the measured data since T{sub 2} is influenced by diffusion through magnetic field inhomogeneities occurring at the pore scale, caused by the liquid/solid susceptibility contrast. Previously, we introduced a generic model for the diffusion exponent of the form −ant{sub e}{sup k} (where n is the number and t{sub e} the temporal separation of spin echoes, and a is a composite diffusion parameter) in order to distinguish the influence of relaxation and diffusion in CPMG data. Here, we improve the analysis by introducing an automatic search for the optimum power k that best describes the diffusion behavior. This automated method is more efficient than the manual trial-and-error grid search adopted previously, and avoids variability through subjective judgments of experimentalists. Although our method does not avoid the inherent assumption that the diffusion exponent depends on a single k value, we show through simulation and experiment that it is robust in measurements of heterogeneous systems that violate this assumption. In this way, we obtain quantitative T{sub 2} distributions from complicated porous structures and demonstrate the analysis with examples of ceramics used for filtration and catalysis, and limestone of relevance to the construction and petroleum industries.

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

    Science.gov (United States)

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

    2016-09-01

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

  15. A loop-gap resonator for chirality-sensitive nuclear magneto-electric resonance (NMER).

    Science.gov (United States)

    Garbacz, Piotr; Fischer, Peer; Krämer, Steffen

    2016-09-14

    Direct detection of molecular chirality is practically impossible by methods of standard nuclear magnetic resonance (NMR) that is based on interactions involving magnetic-dipole and magnetic-field operators. However, theoretical studies provide a possible direct probe of chirality by exploiting an enantiomer selective additional coupling involving magnetic-dipole, magnetic-field, and electric field operators. This offers a way for direct experimental detection of chirality by nuclear magneto-electric resonance (NMER). This method uses both resonant magnetic and electric radiofrequency (RF) fields. The weakness of the chiral interaction though requires a large electric RF field and a small transverse RF magnetic field over the sample volume, which is a non-trivial constraint. In this study, we present a detailed study of the NMER concept and a possible experimental realization based on a loop-gap resonator. For this original device, the basic principle and numerical studies as well as fabrication and measurements of the frequency dependence of the scattering parameter are reported. By simulating the NMER spin dynamics for our device and taking the (19)F NMER signal of enantiomer-pure 1,1,1-trifluoropropan-2-ol, we predict a chirality induced NMER signal that accounts for 1%-5% of the standard achiral NMR signal.

  16. A loop-gap resonator for chirality-sensitive nuclear magneto-electric resonance (NMER)

    Science.gov (United States)

    Garbacz, Piotr; Fischer, Peer; Krämer, Steffen

    2016-09-01

    Direct detection of molecular chirality is practically impossible by methods of standard nuclear magnetic resonance (NMR) that is based on interactions involving magnetic-dipole and magnetic-field operators. However, theoretical studies provide a possible direct probe of chirality by exploiting an enantiomer selective additional coupling involving magnetic-dipole, magnetic-field, and electric field operators. This offers a way for direct experimental detection of chirality by nuclear magneto-electric resonance (NMER). This method uses both resonant magnetic and electric radiofrequency (RF) fields. The weakness of the chiral interaction though requires a large electric RF field and a small transverse RF magnetic field over the sample volume, which is a non-trivial constraint. In this study, we present a detailed study of the NMER concept and a possible experimental realization based on a loop-gap resonator. For this original device, the basic principle and numerical studies as well as fabrication and measurements of the frequency dependence of the scattering parameter are reported. By simulating the NMER spin dynamics for our device and taking the 19F NMER signal of enantiomer-pure 1,1,1-trifluoropropan-2-ol, we predict a chirality induced NMER signal that accounts for 1%-5% of the standard achiral NMR signal.

  17. Theory for cross effect dynamic nuclear polarization under magic-angle spinning in solid state nuclear magnetic resonance: the importance of level crossings.

    Science.gov (United States)

    Thurber, Kent R; Tycko, Robert

    2012-08-28

    We present theoretical calculations of dynamic nuclear polarization (DNP) due to the cross effect in nuclear magnetic resonance under magic-angle spinning (MAS). Using a three-spin model (two electrons and one nucleus), cross effect DNP with MAS for electron spins with a large g-anisotropy can be seen as a series of spin transitions at avoided crossings of the energy levels, with varying degrees of adiabaticity. If the electron spin-lattice relaxation time T(1e) is large relative to the MAS rotation period, the cross effect can happen as two separate events: (i) partial saturation of one electron spin by the applied microwaves as one electron spin resonance (ESR) frequency crosses the microwave frequency and (ii) flip of all three spins, when the difference of the two ESR frequencies crosses the nuclear frequency, which transfers polarization to the nuclear spin if the two electron spins have different polarizations. In addition, adiabatic level crossings at which the two ESR frequencies become equal serve to maintain non-uniform saturation across the ESR line. We present analytical results based on the Landau-Zener theory of adiabatic transitions, as well as numerical quantum mechanical calculations for the evolution of the time-dependent three-spin system. These calculations provide insight into the dependence of cross effect DNP on various experimental parameters, including MAS frequency, microwave field strength, spin relaxation rates, hyperfine and electron-electron dipole coupling strengths, and the nature of the biradical dopants.

  18. T1 nuclear magnetic relaxation dispersion of hyperpolarized sodium and cesium hydrogencarbonate-(13) C.

    Science.gov (United States)

    Martínez-Santiesteban, Francisco M; Dang, Thien Phuoc; Lim, Heeseung; Chen, Albert P; Scholl, Timothy J

    2017-09-01

    In vivo pH mapping in tissue using hyperpolarized hydrogencarbonate-(13) C has been proposed as a method to study tumor growth and treatment and other pathological conditions related to pH changes. The finite spin-lattice relaxation times (T1 ) of hyperpolarized media are a significant limiting factor for in vivo imaging. Relaxation times can be measured at standard magnetic fields (1.5 T, 3.0 T etc.), but no such data are available at low fields, where T1 values can be significantly shorter. This information is required to determine the potential loss of polarization as the agent is dispensed and transported from the polarizer to the MRI scanner. The purpose of this study is to measure T1 dispersion from low to clinical magnetic fields (0.4 mT to 3.0 T) of different hyperpolarized hydrogencarbonate formulations previously proposed in the literature for in vivo pH measurements. (13) C-enriched cesium and sodium hydrogencarbonate preparations were hyperpolarized using dynamic nuclear polarization, and the T1 values of different samples were measured at different magnetic field strengths using a fast field-cycling relaxometer and a 3.0 T clinical MRI system. The effects of deuterium oxide as a dissolution medium for sodium hydrogencarbonate were also analyzed. This study finds that the cesium formulation has slightly shorter T1 values compared with the sodium preparation. However, the higher solubility of cesium hydrogencarbonate-(13) C means it can be polarized at greater concentration, using less trityl radical than sodium hydrogencarbonate-(13) C. This study also establishes that the preparation and handling of sodium hydrogencarbonate formulations in relation to cesium hydrogencarbonate is more difficult, due to the higher viscosity and lower achievable concentrations, and that deuterium oxide significantly increases the T1 of sodium hydrogencarbonate solutions. Finally, this work also investigates the influence of pH on the spin-lattice relaxation of cesium

  19. An investigation of strong sodium retention mechanisms in nanopore environments using nuclear magnetic resonance spectroscopy.

    Science.gov (United States)

    Ferreira, Daniel R; Schulthess, Cristian P; Giotto, Marcus V

    2012-01-03

    Recent experimental research into the adsorption of various cations on zeolite minerals has shown that nanopore channels of approximately 0.5 nm or less can create an effect whereby the adsorption of ions, especially those that are weakly hydrated, can be significantly enhanced. This enhanced adsorption occurs due to the removal of hydrating water molecules which in turn is caused by the nanopore channel's small size. A new adsorption model, called the nanopore inner-sphere enhancement (NISE) effect, has been proposed that explains this unusual adsorption mechanism. To further validate this model a series of nuclear magnetic resonance (NMR) spectroscopy studies is presented here. NMR spectra were gathered for Na adsorbed on three zeolite minerals of similar chemical composition but differing nanoporosities: zeolite Y with a limiting dimension of 0.76 nm, ZSM-5 with a limiting dimension of 0.51 nm, and mordenite with a limiting dimension of 0.26 nm. The NMR experiments validated the predictions of the NISE model whereby Na adsorbed via outer-sphere on zeolite Y, inner-sphere on ZSM-5, and a combination of both mechanisms on mordenite. The strong Na adsorption observed in these nanoporous minerals conflicts with sodium's general designation as a weak electrolyte.

  20. In Situ Measurement of Surface Functional Groups on Silica Nanoparticles Using Solvent Relaxation Nuclear Magnetic Resonance.

    Science.gov (United States)

    Yuan, Li; Chen, Lan; Chen, Xiaohong; Liu, Renxiao; Ge, Guanglu

    2017-09-05

    In situ analysis and study on the surface of nanoparticles (NPs) is a key to obtain their important physicochemical properties for the subsequent applications. Of them, most works focus on the qualitative characterization whereas quantitative analysis and measurement on the NPs under their storage and usage conditions is still a challenge. In order to cope with this challenge, solvation relaxation-based nuclear magnetic resonance (NMR) technology has been applied to measure the wet specific surface area and, therefore, determine the number of the bound water molecules on the surface of silica NPs in solution and the hydrophilic groups of various types grafted on the surface of the NPs. By changing the surface functional group on silica particles, the fine distinction for the solvent-particle interaction with different surface group can be quantitatively differentiated by measuring the number of water molecules absorbed on the surface. The results show that the number of the surface hydroxyl, amine, and carboxyl group per nm(2) is 4.0, 3.7, and 2.3, respectively, for the silica particles with a diameter of 203 nm. The method reported here is the first attempt to determine in situ the number of bound solvent molecules and any solvophilic groups grafted on nanoparticles.

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

    Science.gov (United States)

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

    2016-01-01

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

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

    Science.gov (United States)

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

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-08-28

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

  4. Nuclear magnetic resonance study of PEO-chitosan based polymer electrolytes

    Energy Technology Data Exchange (ETDEWEB)

    Donoso, J.P.; Lopes, L.V.S. [IFSC, Universidade de Sao Paulo, PO Box 369, 13560-970 Sao Carlos-SP (Brazil); Pawlicka, A. [IQSC, Universidade de Sao Paulo, PO Box 780, 13560-970 Sao Carlos-SP (Brazil); Fuentes, S. [Department of Physics, Faculty of Sciences, Universidad Catolica del Norte, Angamos 0610, Antofagasta (Chile); Retuert, P.J. [Department of Material Sciences, Faculty of Mathematical and Physical Sciences, Universidad de Chile, Tupper 2069, Santiago (Chile); Gonzalez, G. [Department of Chemistry, Faculty of Sciences, Universidad de Chile, Casilla 653, Santiago (Chile)

    2007-12-31

    This work investigates lithium dynamics in a series of polymer electrolytes formed by poly(ethylene oxide) PEO, chitosan (QO), amino propil siloxane (pAPS) and lithium perchlorate by means of nuclear magnetic resonance techniques. Lithium ({sup 7}Li) lineshapes and spin-lattice relaxation times were measured as a function of temperature. The results suggest that the chemical functionality of QO, particularly the amine group, participate in coordinating lithium ion in the composites. The competition between QO and PEO for lithium ions is evident in the binary system. In the ternary electrolyte containing PEO, QO and pAPS, it is observed that the lithium ions can competitively interact with the two polymers. The heterogeneity, at a local microscopic scale, is revealed by a temperature-dependent equilibrium of lithium ion concentration between at least two different microphases; on 37dominated by the interactions with chitosan and the other one with polyether. The data of the ternary electrolyte was analysed by assuming two lithium dynamics, the first one associated to the motion of the lithium ion dissolved in PEO and the second one associated to those complexed by the chitosan. (author)

  5. Nuclear magnetic resonance study of a Bi2Te3 topological insulator

    Science.gov (United States)

    Podorozhkin, D. Yu.; Charnaya, E. V.; Antonenko, A.; Mukhamad'yarov, R.; Marchenkov, V. V.; Naumov, S. V.; Huang, J. C. A.; Weber, H. W.; Bugaev, A. S.

    2015-09-01

    The results of the nuclear magnetic resonance (NMR) study of a grown high-quality Bi2Te3 semiconductor single crystal have been presented. Signals from the 125Te isotope were detected by the spin echo method in the range from 10 K to room temperature. It was found that the NMR spectrum consists of two lines. The line with a positive shift of the resonance frequency corresponded to the bulk of the sample. The line with a negative shift was interpreted as a signal from the surface of the single crystal. The temperature and orientational dependences of the positions of the NMR line of nuclei in the bulk of the crystal were studied. It was shown that the shifts are mainly determined by the Knight shift due to the interaction with mobile charge carriers. The thermoactivation character of the concentration of mobile charges in the crystal under study, which corresponds to the intrinsic conductance, was proved, and the energy parameters of the thermoactivation processes were calculated.

  6. Microfluidic integration of wirebonded microcoils for on-chip applications in nuclear magnetic resonance

    Science.gov (United States)

    Meier, Robert Ch; Höfflin, Jens; Badilita, Vlad; Wallrabe, Ulrike; Korvink, Jan G.

    2014-04-01

    We present an integrated microfluidic device for on-chip nuclear magnetic resonance (NMR) studies of microscopic samples. The devices are fabricated by means of a MEMS compatible process, which joins the automatic wirebond winding of solenoidal microcoils and the manufacturing of a complex microfluidic network using dry-photoresist lamination. The wafer-scale cleanroom process is potentially capable of mass fabrication. Since the non-invasive NMR analysis technique is rather insensitive, particularly when microscopic sample volumes are to be investigated, we also focus on the optimization of the wirebonded microcoil for this purpose. The on-chip measurement of NMR signals from a 20 nl sample are evaluated for imaging analysis of microparticles, as well as for spectroscopy. Whereas the latter revealed that the sensitivity of the MEMS microcoil is comparable with hand-wound devices and achieves a full-width-half-maximum linewidth of 8 Hz, the imaging experiment demonstrated 10 μm isotropic spatial resolution within an experiment time of 38 min for a 3D image with a field of view of 1 mm × 1 mm × 0.5 mm (500 000 voxels).

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-01-01

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

  8. Proton nuclear magnetic resonance spectroscopy based investigation on propylene glycol toxicosis in a Holstein cow

    Directory of Open Access Journals (Sweden)

    Raun Birgitte-Marie L

    2009-06-01

    Full Text Available Abstract Background It is unknown which metabolites are responsible for propylene glycol (PG-induced toxicosis, and a better understanding of the underlying mechanisms explaining incidences of abnormal behaviour of dairy cows fed PG is therefore needed. Methods The study included three cows of which one developed PG toxicosis. In order to investigate how the metabolism of PG differed in the cow developing toxicosis, proton nuclear magnetic resonance (NMR spectroscopy was applied on ruminal fluids and blood plasma samples obtained before and after feeding with PG. Results PG toxicosis was characterized by dyspnea and ruminal atony upon intake of concentrate containing PG. The oxygen saturation of arterial blood haemoglobin and the oxygen pressure in arterial blood decreased along with the appearance of the clinical symptoms. NMR revealed differences in plasma and ruminal content of several metabolites between the cow responding abnormally to PG and the two control cows. Conclusion It is concluded that PG-toxicosis is likely caused by pulmonary vasoconstriction, but no unusual metabolites directly related to induction of this condition could be detected in the plasma or the ruminal fluid.

  9. Monitoring of metabolic profiling and water status of Hayward kiwifruits by nuclear magnetic resonance.

    Science.gov (United States)

    Capitani, D; Mannina, L; Proietti, N; Sobolev, A P; Tomassini, A; Miccheli, A; Di Cocco, M E; Capuani, G; De Salvador, R; Delfini, M

    2010-10-15

    The metabolic profiling of kiwifruit (Actinidia deliciosa, Hayward cultivar) aqueous extracts and the water status of entire kiwifruits were monitored over the season (June-December) using nuclear magnetic resonance (NMR) methodologies. The metabolic profiling of aqueous kiwifruit extracts was investigated by means of high field NMR spectroscopy. A large number of water-soluble metabolites were assigned by means of 1D and 2D NMR experiments. The change in the metabolic profiles monitored over the season allowed the kiwifruit development to be investigated. Specific temporal trends of aminoacids, sugars, organic acids and other metabolites were observed. The water status of kiwifruits was monitored directly on the intact fruit measuring the T(2) spin-spin relaxation time by means of a portable unilateral NMR instrument, fully non-invasive. Again, clear trends of the relaxation time were observed during the monitoring period. The results show that the monitoring of the metabolic profiling and the monitoring of the water status are two complementary means suitable to have a complete view of the investigated fruit.

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

    Directory of Open Access Journals (Sweden)

    Veli Bakalov

    2016-12-01

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

  11. Millimeter length micromachining using a heavy ion nuclear microprobe with standard magnetic scanning

    Energy Technology Data Exchange (ETDEWEB)

    Nesprías, F. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. Gral Paz 1499 (1650), San Martín, Buenos Aires (Argentina); Debray, M.E., E-mail: debray@tandar.cnea.gov.ar [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. Gral Paz 1499 (1650), San Martín, Buenos Aires (Argentina); Escuela de Ciencia y Tecnología. Universidad Nacional de Gral. San Martín, M. De Irigoyen 3100 (1650), San Martín, Buenos Aires (Argentina); Davidson, J. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. Gral Paz 1499 (1650), San Martín, Buenos Aires (Argentina); CONICET, Avda. Rivadavia 1917 (C1033AAJ), Ciudad Autónoma de Buenos Aires (Argentina); Kreiner, A.J. [Gerencia de Investigación y Aplicaciones, Comisión Nacional de Energía Atómica, Av. Gral Paz 1499 (1650), San Martín, Buenos Aires (Argentina); Escuela de Ciencia y Tecnología. Universidad Nacional de Gral. San Martín, M. De Irigoyen 3100 (1650), San Martín, Buenos Aires (Argentina); CONICET, Avda. Rivadavia 1917 (C1033AAJ), Ciudad Autónoma de Buenos Aires (Argentina); and others

    2013-04-01

    In order to increase the scanning length of our microprobe, we have developed an irradiation procedure suitable for use in any nuclear microprobe, extending at least up to 400% the length of our heavy ion direct writing facility using standard magnetic exploration. Although this method is limited to patterns of a few millimeters in only one direction, it is useful for the manufacture of curved waveguides, optical devices such Mach–Zehnder modulators, directional couplers as well as channels for micro-fluidic applications. As an example, this technique was applied to the fabrication of 3 mm 3D-Mach–Zehnder modulators in lithium niobate with short Y input/output branches and long shaped parallel-capacitor control electrodes. To extend and improve the quality of the machined structures we developed new scanning control software in LabView™ platform. The new code supports an external dose normalization, electrostatic beam blanking and is capable of scanning figures at 16 bit resolution using a National Instruments™ PCI-6731 High-Speed I/O card. A deep and vertical micromachining process using swift {sup 35}Cl ions 70 MeV bombarding energy and direct write patterning was performed on LiNbO{sub 3}, a material which exhibits a strong natural anisotropy to conventional etching. The micromachined structures show the feasibility of this method for manufacturing micro-fluidic channels as well.

  12. Advanced characterisation of encapsulated lipid powders regarding microstructure by time domain-nuclear magnetic resonance.

    Science.gov (United States)

    Linke, Annika; Anzmann, Theresa; Weiss, Jochen; Kohlus, Reinhard

    2017-03-15

    Encapsulation is an established technique to protect sensitive materials from environmental stress. In order to understand the physical protection mechanism against oxidation, knowledge about the powder microstructure is required. Time domain-nuclear magnetic resonance (TD-NMR) has the potential to determine the surface oil (SO) and droplet size distribution by relaxation and restricted self-diffusion, respectively. The amount of SO, the retention and encapsulation efficiency are determined based on a lipid balance. The oil load of the initial powder and after SO removal is measured by TD-NMR. The results correlate with gravimetric and photometric references. The oil droplet size obtained by TD-NMR correlates well with static light scattering. The diameter of droplets in emulsions and dried powder both measured by TD-NMR, correlates (r = 0.998), implying that oil droplets embedded in a solid matrix can be measured. Summarising, TD-NMR allows analysis of the microstructure of encapsulated lipid powders, in a rapid, simple and non-destructive way.

  13. Determination of scutellarin in breviscapine preparations using quantitative proton nuclear magnetic resonance spectroscopy

    Directory of Open Access Journals (Sweden)

    Zhenzuo Jiang

    2016-04-01

    Full Text Available The objective of the present study was to develop the selection criteria of proton signals for the determination of scutellarin using quantitative nuclear magnetic resonance (qNMR, which is the main bioactive compound in breviscapine preparations for the treatment of cerebrovascular disease. The methyl singlet signal of 3-(trimethylsilylpropionic-2,2,3,3-d4 acid sodium salt was selected as the internal standard for quantification. The molar concentration of scutellarin was determined by employing different proton signals. To obtain optimum proton signals for the quantification, different combinations of proton signals were investigated according to two selection criteria: the recovery rate of qNMR method and quantitative results compared with those obtained with ultra-performance liquid chromatography. As a result, the chemical shift of H-2′ and H-6′ at δ 7.88 was demonstrated as the most suitable signal with excellent linearity range, precision, and recovery for determining scutellarin in breviscapine preparations from different manufacturers, batch numbers, and dosage forms. Hierarchical cluster analysis was employed to evaluate the determination results. The results demonstrated that the selection criteria of proton signals established in this work were reliable for the qNMR study of scutellarin in breviscapine preparations.

  14. Recent Advances in Characterization of Lignin Polymer by Solution-State Nuclear Magnetic Resonance (NMR Methodology

    Directory of Open Access Journals (Sweden)

    Run-Cang Sun

    2013-01-01

    Full Text Available The demand for efficient utilization of biomass induces a detailed analysis of the fundamental chemical structures of biomass, especially the complex structures of lignin polymers, which have long been recognized for their negative impact on biorefinery. Traditionally, it has been attempted to reveal the complicated and heterogeneous structure of lignin by a series of chemical analyses, such as thioacidolysis (TA, nitrobenzene oxidation (NBO, and derivatization followed by reductive cleavage (DFRC. Recent advances in nuclear magnetic resonance (NMR technology undoubtedly have made solution-state NMR become the most widely used technique in structural characterization of lignin due to its versatility in illustrating structural features and structural transformations of lignin polymers. As one of the most promising diagnostic tools, NMR provides unambiguous evidence for specific structures as well as quantitative structural information. The recent advances in two-dimensional solution-state NMR techniques for structural analysis of lignin in isolated and whole cell wall states (in situ, as well as their applications are reviewed.

  15. The effect of rough surfaces on Nuclear Magnetic Resonance relaxation experiments

    CERN Document Server

    Nordin, Matias

    2015-01-01

    Most theoretical treatments of Nuclear Magnetic Resonance (NMR) assume ideal smooth geometries (i.e. slabs, spheres or cylinders) with well-defined surface-to-volume ratios (S/V). This same assumption is commonly adopted for naturally occurring materials, where the pore geometry can differ substantially from these ideal shapes. In this paper the effect of surface roughness on the T2 relaxation spectrum is studied. By homogenization of the problem using an electrostatic approach it is found that the effective surface relaxivity can increase dramatically in the presence of rough surfaces. This leads to a situation where the system responds as a smooth pore, but with significantly increased surface relaxivity. As a result: the standard approach of assuming an idealized geometry with known surface-to-volume and inverting the T2 relaxation spectrum to a pore size distribution is no longer valid. The effective relaxivity is found to be fairly insensitive to the shape of roughness but strongly dependent on the width...

  16. Properties of Cs-intercalated single wall carbon nanotubes investigated by 133Cs Nuclear Magnetic resonance

    KAUST Repository

    Schmid, Marc R.

    2012-11-01

    In the present study, we investigated Cs-intercalated single wall carbon nanotubes (SWCNTs) using 133Cs Nuclear Magnetic resonance. We show that there are two types of Cs cations depending on the insertion level. Indeed, at low concentrations, Static spectra analysis shows that the Cs (α)+ species are fully ionized, i.e. α equal ca.1, while at higher concentrations a second paramagnetically shifted line appears, indicating the formation of Cs (β)+ ions with β < α ∼ +1. At low concentrations and low temperatures the Cs (α)+ ions exhibit a weak hyperfine coupling to the SWCNT conduction electrons, whereas, at higher temperatures, a thermally activated slow-motion diffusion process of the Cs (α)+ ions occurs along the interstitial channels present within the carbon nanotube bundles. At high concentrations, the Cs (β)+ ions seem to occupy well defined positions relative to the carbon lattice. As a matter of fact, the Korringa relaxation behavior suggests a strong hyperfine coupling between Cs nuclei and conduction electrons in the carbon nanotubes and a partial charge transfer, which suggest a plausible Cs(6s)-C(2p) hybridization. © 2012 Elsevier Ltd. All rights reserved.

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

    Directory of Open Access Journals (Sweden)

    Robert A Kleps

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

  18. Radiation damping and reciprocity in nuclear magnetic resonance: the replacement of the filling factor.

    Science.gov (United States)

    Tropp, James; Van Criekinge, Mark

    2010-09-01

    The basic equation describing radiation damping in nuclear magnetic resonance (NMR) is rewritten by means of the reciprocity principle, to remove the dependence of the damping constant upon filling factor - a parameter which is neither uniquely defined for easily measured. The new equation uses instead the transceive efficiency, i.e. the peak amplitude of the radiofrequency B field in laboratory coordinates, divided by the square root of the resistance of the detection coil, for which a simple and direct means of measurement exists. We use the efficiency to define the intrinsic damping constant, i.e. that which obtains when both probe and preamplifier are perfectly matched to the system impedance. For imperfect matching of the preamp, it is shown that the damping constant varies with electrical distance to the probe, and equations are given and simulations performed, to predict the distance dependence, which (for lossless lines) is periodic modulo a half wavelength. Experimental measurements of the radiation-damped free induction NMR signal of protons in neat water are performed at a static B field strength of 14.1T; and an intrinsic damping constant measured using the variable line method. For a sample of 5mm diameter, in an inverse detection probe we measure an intrinsic damping constant of 204 s(-1), corresponding to a damping linewidth of 65 Hz for small tip angles. The predicted intrinsic linewidth, based upon three separate measurements of the efficiency, is 52.3 Hz, or 80% of the measured value.

  19. Soil wettability as determined from using low-field nuclear magnetic resonance.

    Science.gov (United States)

    Manalo, Florence P; Kantzas, Apostolos; Langford, Cooper H

    2003-06-15

    The molarity of ethanol droplet and water drop penetration time methods are commonly used to determine soil wettability because these tests are quick and easy to perform. However, these tests do not provide reproducible results on the same sample. Low-field nuclear magnetic resonance (NMR) is shown as an alternative tool to determine soil wettability. Addition of small amounts of water in dry wettable porous media produces predominant amplitude peaks at transverse relaxation times (T2) of 100 ms or less while addition of water in dry water-repellent porous media with the same pore structure produce predominant amplitude peaks at T2 values near 1000 ms. The geometric mean of T2 (T(2gm)) from water-repellent samples immediately after the addition of water is greater than 1000 ms, which is close to that of bulk water, while T(2gm) from wettable samples immediately after the addition of water is significantly less than 1000 ms. Measurements over time show that water-repellent samples eventually reach the same equilibrium end point as its corresponding wettable sample when continually exposed to water. This paper will show that NMR can be used to formulate a screening criterion for quickly determining wettability. The advantage of using NMR is that the results are reproducible provided the sample is prepared and analyzed in a systematic manner.

  20. Shale characteristics impact on Nuclear Magnetic Resonance (NMR fluid typing methods and correlations

    Directory of Open Access Journals (Sweden)

    Mohamed Mehana

    2016-06-01

    Full Text Available The development of shale reservoirs has brought a paradigm shift in the worldwide energy equation. This entails developing robust techniques to properly evaluate and unlock the potential of those reservoirs. The application of Nuclear Magnetic Resonance techniques in fluid typing and properties estimation is well-developed in conventional reservoirs. However, Shale reservoirs characteristics like pore size, organic matter, clay content, wettability, adsorption, and mineralogy would limit the applicability of the used interpretation methods and correlation. Some of these limitations include the inapplicability of the controlling equations that were derived assuming fast relaxation regime, the overlap of different fluids peaks and the lack of robust correlation to estimate fluid properties in shale. This study presents a state-of-the-art review of the main contributions presented on fluid typing methods and correlations in both experimental and theoretical side. The study involves Dual Tw, Dual Te, and doping agent's application, T1-T2, D-T2 and T2sec vs. T1/T2 methods. In addition, fluid properties estimation such as density, viscosity and the gas-oil ratio is discussed. This study investigates the applicability of these methods along with a study of the current fluid properties correlations and their limitations. Moreover, it recommends the appropriate method and correlation which are capable of tackling shale heterogeneity.