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Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Bertram, H. C., Jakobsen, H. J., Andersen, H. J., Karlsson, A. H. & Engelsen, S. B. (2003). Post-mortem Changes in Porcine M. Longissimus Studied by Solid-State 13C Cross-Polarization Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy. Journal of Agricultural and Food Chemistry, 51, 2064-2069.
Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. (2003). Small 51V chemical shift anisotropy for LaVO4 from MQMAS and MAS NMR spectroscopy. Solid. State. Nucl. Mag., 23, 107-115. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THK-482XGPC-1-24&_cdi=5285&_orig=browse&_coverDate=03%2F31%2F2003&_sk=999769998&view=c&w chp=dGLbVzb-zSkzV&_acct=C000034578&_version=1&_userid=642076&md5=ffb966e223f0e1c45cc61f8eac4024f2&ie=f.pdf
Bjerring, M. & Nielsen, N. C. (2003). Solid-state NMR heteronuclear coherence transfer using phase and amplitude modulated rf irradiation at the Hartmann–Hahn sideband conditions. Chemical Physics Letters, 382, 671-678. https://doi.org/10.1016/j.cplett.2003.10.120
Bjerring, M. & Nielsen, N. C. (2003). Solid-state NMR heteronuclear dipolar recoupling using off-resonance symmetry-based pulse sequences. Chemical Physics Letters, 370, 496-503.
Goldbach, A., Fayon, F., Vosegaard, T., Wachhold, M., Kanatzidis, M. G., Massiot, D. & Saboungi, M.-L. (2003). 77Se and 87Rb solid state NMR study of the structure of Rb2[Pd(Se4)2].Se8. Inorg. Chem., 42, 6996-7000.
Giavani, T., Johannsen, K., Jacobsen, C. J. H., Blom, N., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Unusual observation of nitrogen chemical shift anisotropies in tetraalkylammonium halides by 14N MAS NMR spectroscopy. Solid. State. Nucl. Mag., 24, 218-235. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THK-48PVK5B-1-1B&_cdi=5285&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999759995&view=c&wc hp=dGLbVzz-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=3a535fe0a7f6b6ebbcc87a84a3d2c675&ie=f.pdf
Jakobsen, H. J., Bildsøe, H., Skibsted, J., Giavani, T., Fraissard, J. (Ed.) & Lapina, O. (Ed.) (2002). 14N MAS NMR Spectroscopy: An Instrumental Challenge and Informatory Technique. In Magnetic Resonance in Colloid and Interface Science (pp. 43-55). Kluwer Academic Publishers.
Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2002). 14N MAS NMR spectroscopy and quadrupole coupling data in characterization of the IV <-> III phase transition in ammonium nitrate. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 106, 3026-3032.
Nielsen, U. G., Jakobsen, H. J., Skibsted, J., Fraissard, J. (Ed.) & Lapina, O. (Ed.) (2002). 51V MAS NMR Studies of Inorganic Vanadates with Very Small and Large Chemical Shift Anisotropies. In Magnetic Resonance in Colloid and Interface Science (pp. 597-602). Kluwer Academic Publishers.
Jakobsen, H. J., Hald, E., Rice, D., Kupce, E., Ellis, P. D. & Christensen, P. D. (2002). A 4-mm Probe for 13C CP/MAS NMR of Solids at 21.15 T. Journal of Magnetic Resonance, 156, 152-154.
Jakobsen, H. J., Christensen, P. D., Hald, E. G., Rice, D., Kupce, E. & Ellis, P. D. (2002). A 4-mm Probe for 13C CP/MAS NMR of Solids at 21.15 T. Journal of Magnetic Resonance, 156, 152-154.
Nielsen, U. G., Boisen, A., Brorson, M., Jacobsen, C. J. H., Jakobsen, H. J. & Skibsted, J. (2002). Aluminum Orthovanadate (AlVO4): Synthesis and Characterization by 27Al and 51V MAS and MQMAS NMR Spectroscopy. Inorganic Chemistry, 41, 6432-6439.
Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2002). Beta-VO2 - a V(IV) or mixed valence V(III)-V(V) oxide - studied by 51V MAS NMR spectroscopy. Chemical Physics Letters, 356, 73-78.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2002). Characterization of the alpha->beta phase transition in Friedels salt (Ca2Al(OH)6Cl.2H2O) by variable-temperature 27Al MAS NMR spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 6676-6682.
Untidt, T. S. & Nielsen, N. C. (2002). Closed solution to the Baker-Campbell-Hausdorff problem: exact effective Hamiltonian theory for analysis of nuclear-magnetic resonance experiments. Physical Review E, 65(2).
Taasti, K. I., Christensen, A. N., Norby, P., Hanson, J. C., Lebech, B., Jakobsen, H. J. & Skibsted, J. (2002). Hydrothermal synthesis, single-crystal structure analysis, and solid-state NMR characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). Journal of Solid State Chemistry, 164, 42-50.
Stebbins, J. F., Du, L.-S., Kroeker, S., Neuhoff, P., Rice, D., Frye, J. & Jakobsen, H. J. (2002). New Opportunities for High-Resolution Solid-State NMR Spectroscopy of Oxide Materials at 21.1- and 18.8-Tesla Fields. Solid State Nuclear Magnetic Resonance, 21, 105-115.
Skibsted, J., Hall, C. & Jakobsen, H. J. (2002). Nuclear magnetic resonance spectroscopy and magnetic resonance imaging of cements and cement-based materials. In J. Bensted & P. B. (Eds.), Structure and Performance of Cements (2. ed., pp. 457-476). Spon press.
Bak, M., Schultz, R., Vosegaard, T. & Nielsen, N. C. (2002). Specification and visualization of anisotropic interaction tensors for numerical simulation of solid-state NMR experiments on polypeptide structures. Journal of Magnetic Resonance, 154.
Vosegaard, T., Malmendal, A. & Nielsen, N. C. (2002). The flexibility of SIMPSON and SIMMOL for numerical simulations in solid- and liquid-state NMR spectroscopy. Chem. Monthly, 133, 1555-1574.
Lindgreen, H., Drits, V. A., Sakharov, B. A., Jakobsen, H. J., Salyn, A. L., Dainyak, L. G. & Krøyer, H. (2002). The structure and diagenetic transformation of illite-smectite and chlorite-smectite from North Sea Cretaceous-Tertiary chalk. Clay Minerals, 37, 429-450.
Drits, V. A., Lindgreen, H., Sakharov, B. A., Jakobsen, H. J., Salyn, A. L. & Dainyak, L. G. (2002). Tobelitization of smectite during oil generation in oil-source shales. Application to North Sea illite-tobelite-smectite-vermiculite. Clays and Clay Minerals, 50, 82-98.
Vosegaard, T. & Nielsen, N. C. (2002). Towards high-resolution solid-state NMR on large uniformly 15N- and [13C, 15N]-labeled membrane proteins in oriented lipid bilayers. J. Biomol. NMR, 22, 225-247.
Odgaard, L., Bak, M., Jakobsen, H. J. & Nielsen, N. C. (2001). 13C Chemical Shift and 13C-14N Dipolar Coupling Tensors Determined by 13C Rotary Resonance Solid-State NMR. Journal of Magnetic Resonance, 148, 298-308.
Jakobsen, H. J., Bildsøe, H., Skibsted, J. & Giavani, T. (2001). 14N MAS NMR Spectroscopy: The Nitrate Ion. Journal of the American Chemical Society, 123, 5098-5099.
Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. B. (2001). 51V MAS NMR Investigation of 51V Quadrupole Coupling and Chemical Shift Anisotropy in Divalent Metal Pyrovanadates. J. Phys. Chem. B., 105, 420-429.
Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. (2001). 59Co Chemical Shift Anisotropy and Quadrupole Coupling for K3Co(CN)6 from MQMAS NMR and MAS NMR Spectroscopy. Solid State Nuclear Magnetic Resonance, 20, 23-24.
Schulte-Herbrüggen, T., Untidt, T. S., Nielsen, N. C. & Sørensen, O. W. (2001). Broadband composite spin-state-selective rotations for NMR spectroscopy on partially aligned molecules. Journal of Chemical Physics, 115, 8506-8517.
Bak, M., Rasmussen, L. K., Petersen, T. E. & Nielsen, N. C. (2001). Colloidal calcium phosphates in casein micelles studied by slow-speed-spinning 31P magic angle spinning solid-state nuclear magnetic resonance. J. Dairy Sci., 84, 1310-1319.
Bak, M., Bywater, R. P., Hohwy, M., Thomsen, J. K., Adelhorst, K., Jakobsen, H. J., Sørensen, O. W. & Nielsen, N. C. (2001). Conformation of Alamethicin in Oriented Phospholipid Bilayers Determined by 15N Solid-State Nuclear Magnetic Resonance. Biophysical Journal, (81), 1684-1698.
Bak, M., Bywater, R., Hohwy, M., Thomsen, J. K., Adelhorst, K., Jakobsen, H. J., Sørensen, O. W. & Nielsen, N. C. (2001). Conformation of alamethicin in oriented phospholipid bilayers determined by 15N solid-state NMR. Biophysical Journal, 81, 1684-1698.
Nielsen, U. G., Jakobsen, H. J., Skibsted, J. & Norby, P. (2001). Crystal structure of α-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy. Chem. Soc. Dalton Trans., 3214-3218.
Evenäs, J., Malmendal, A. & Akke, M. (2001). Dynamics of the transition between open and closed conformations in a calmodolin C-terminal domain mutant. Structure, 9, 185-195.
Vosegaard, T., Florian, P., Massiot, M. & Grandinetti, P. H. (2001). Multiple-quantum magic-angle spinning using rotary resonance excitation. Journal of Chemical Physics, 114, 4618-4624.
Bak, M., Schultz, R., Nielsen, N. C., Kiihne, S. (Ed.) & deGroot, H. J. M. (Ed.) (2001). Numerical simulations for experiment design and extraction of structural parameters in biological solid-state NMR spectroscopy. In Perspectives of Solid-State NMR in Biology (pp. 95-110). Kluwer Academic Publishers.
Jakobsen, H. J., Skibsted, J., Kristensen, M. & Zauner, D. A. (2001). Phosphorus-doped thin silica films characterized by magic-angle spinning nuclear magnetic resonance spectroscopy. Journal of Applied Physics, 89, 4134-4138.
Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2001). Resolving multiple 27Al sites in AlVO4 by 27Al MAS NMR spectroscopy at 21.15 Tesla. Chemical Communications, 2690-2691.
Fyfe, C. A., Skibsted, J. & Schwieger, W. (2001). Solid-State NMR Characterization of the Mineral Searlesite and its Detection in Complex Synthesis Mixtures. Inorg. Chem., 40, 5906-5912.
Odgaard, L., Bak, M., Jakobsen, H. J. & Nielsen, N. C. (2001). 13C chemical shift and 13C-14N dipolar coupling tensors determined by 13C rotary resonance NMR. Journal of Magnetic Resonance, 148, 298-308.
Untidt, T. S. & Nielsen, N. C. (2000). Analytical unitary bounds on quantum dynamics: Design of optimum NMR experiments in two-spin-1/2 systems. Journal of Chemical Physics, 113, 8464-8471.
Jensen, T. R., Hazell, R. G., Vosegaard, T. & Jakobsen, H. J. (2000). A new rubidium zinc hydrogenphosphate, Rb2Zn2(HPO4)3: Synthesis, crystal structure, and 31P single-crystal NMR. Inorg. Chem., 39, 2026-2032.
Bunkenborg, J., Nielsen, N. C. & Sørensen, O. W. (2000). Doubling the sensitivity of natural abundance 13C-13C INADEQUATE with off-resonance compensation. Magn. Reson. Chem., 38, 58-61.
Vosegaard, T., Florian, P., Grandinetti, P. J. & Massiot, D. (2000). Pure absorption-mode spectra using a modulated RF mixing period in MQMAS experiments. Journal of Magnetic Resonance, 143, 217-222.
Vosegaard, T., Massiot, D. & Grandinetti, P. J. (2000). Sensitivity enhancements in MQ-MAS NMR of spin-5/2 nuclei using modulated RF mixing pulses. Chemical Physics Letters, 326, 454-460.
Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2000). SIMPSON: A general program for solid-state NMR spectroscopy. Journal of Magnetic Resonance, 147, 296-330.
Vosegaard, T., Christensen, P. D., Hald, E. & Jakobsen, H. J. (2000). Small crystals and small coils in variable temperature single-crystal NMR. Journal of Magnetic Resonance, 142, 379-381.
Larsen, F. H., Skibsted, J. B., Jakobsen, H. J. & Nielsen, N. C. (2000). Solid-state QCPMG NMR of low-γ quadrupolar metal nuclei in natural abundance. Journal of the American Chemical Society, 122, 7080-7086.
Bak, M., Thomsen, J. K., Jakobsen, H. J., Petersen, S. E., Petersen, T. E. & Nielsen, N. C. (2000). Solid-state 13C and 31P MAS NMR analysis of urinary stones. J. Urol., 164, 856-863.
Bak, M., Sørensen, M. D., Sørensen, E. S., Rasmussen, L. K., Sørensen, O. W., Petersen, T. E. & Nielsen, N. C. (2000). The structure of the membrane-binding 38 C-terminal residues from bovine PP3 determined by liquid- and solid-state NMR spectroscopy. FEBS journal, 267, 188-199.
Massiot, D., Vosegaard, T., Magneron, N., Trumeau, D., Montouillout, V., Berthet, P., Loiseau, T. & Bujoli, B. (1999). 71Ga NMR of reference GaIV, GaV, and GaVI compounds by MAS and QPASS, extension of gallium/aluminum NMR parameter correlation. Solid State Nuclear Magnetic Resonance, 15(3), 159-169. https://doi.org/10.1016/S0926-2040(99)00053-3

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Lise Refstrup Linnebjerg Pedersen