Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Bjerring, M., Rasmussen, J. T., Krogshave, R. S. & Nielsen, N. C. (2003). Heteronuclear coherence transfer in solid-state NMR using a gamma-encoded transferred echo experiment. Journal of Chemical Physics, 119, 8916-8926. https://doi.org/10.1063/1.1613933
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. https://doi.org/10.1016/S0009-2614(03)00103-9
Jakobsen, L. O., Nielsen, N. C. & Esmann, M. (2003). Interactions between cations and Na,K-ATPase membranes studied by solid-state NMR. New York Academy of Sciences. Annals, 986, 290-292.
Bjerring, M., Vosegaard, T., Malmendal, A. & Nielsen, N. C. (2003). Methodological development of solid-state NMR for characterization of membrane proteins. Concepts Magn. Reson., 18A, 111-129.
Nielsen, G., Malmendal, A., Meissner, A., Møller, J. V. & Nielsen, N. C. (2003). NMR studies of the fifth transmembrane segment of sarcoplasmic reticulum Ca2+-ATPase reveals a hinge close to the Ca2+ ligating residues. FEBS Letters, 544, 50-56.
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.
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).
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.
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.
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.
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.
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.
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.
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.
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.
Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Application of lie algebra to NMR spectroscopy. Progr. NMR Spectrosc, 34, 1-69.
Rasmussen, L. K., Johnsen, L. B., Tsiora, A., Sørensen, E. S., Thomsen, J. K., Nielsen, N. C., Jakobsen, H. J. & Petersen, T. E. (1999). Disulphide-linked caseins and casein micelles. International Dairy Journal, 9, 215-218.
Larsen, F. H. & Nielsen, N. C. (1999). Effect of finite Rf pulses; sample spinning speed in multiple-quantum magic-angle spinning (MQ-MAS); multiple-quantum Carr-Purcell-Meiboom-Gill magic-angle spinning (MQ-QCPMG-MAS) nuclear magnetic resonance ofhalf integer quadrupolar nuclei. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 10825-10832.
Hohwy, M., Bildsøe, H. K., Jakobsen, H. J. & Nielsen, N. C. (1999). Efficient spectral simulations in NMR of rotating solids. The gamma-COMPUTE algorithm. Journal of Magnetic Resonance, 136, 6-14.
Rasmussen, J. T., Hohwy, M., Jakobsen, H. J. & Nielsen, N. C. (1999). Magnitude; absolute orientation of 1H chemical shielding tensors in polycrystalline powders. A 1H CRAMPS NMR study of KH2PO4. Chemical Physics Letters, 314, 239-245.
Larsen, F. H., Rasmussen, T., Pedersen, W. B., Nielsen, N. C. & Jakobsen, H. J. (1999). Observation of immobile regions in natural rubber at ambient temperature by solid-state 13C CP/MAS NMR spectroscopy. Polymer, 40, 7013-7017.
Untidt, T., Schulte-Herbrüggen, T., Sørensen, O. W. & Nielsen, N. C. (1999). Optimum α/β-HSQC pulse sequences for coherence-order-; spin-state-selective transfer in I2S spin systems. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 8921-8926.
Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Separation of 2H MAS NMR spectra by two-dimensional spectroscopy. Journal of Magnetic Resonance, 139, 314-333.
Lausen, S. K., Lindgreen, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Solid-state 29Si MAS NMR studies of illite; illite/smectite from shale. Am. Mineralogist, 84, 1433-1438.
Larsen, F. H., Lipton, A., Jakobsen, H. J., Nielsen, N. C. & Ellis, P. D. (1999). 67Zn QCPMG solid-state NMR studies of zinc complexes as models for metalloproteins. Journal of the American Chemical Society, 121, 3783-3784.
Untidt, T., Glaser, S. J., Griesinger, C. & Nielsen, N. C. (1999). Unitary bounds; controllability of quantum evolution in NMR spectroscopy. Mol. Phys., 96, 1739-1744.
Hohwy, M., Rasmussen, J. T., Bower, P. V., Jakobsen, H. J. & Nielsen, N. C. (1998). 1H Chemical Shielding Anisotropies from Polycrystalline Powders Using MSHOT-3 Based CRAMPS. Journal of Magnetic Resonance, 133, 374-378.
Hohwy, M., Jakobsen, H. J., Edén, M., Levitt, M. H. & Nielsen, N. C. (1998). Broadband dipolar recoupling in the nuclear magnetic resonanceof rotating solids: A compensated C7 pulse sequence. Journal of Chemical Physics, 108(7), 2686-2694.
Untidt, T., Schulte-Herbrüggen, T., Luy, B., Glaser, S. J., Griesinger, C., Sørensen, O. W. & Nielsen, N. C. (1998). Design of NMR pulse experiments with optimum sensitivity: coherence-order-selective transfer in I2S and I3S spin systems. Molecular Physics, 95, 787-796.
Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1998). High-field QCPMG-MAS NMR of half-integer quadrupolar nuclei with large quadrupole couplings. Molecular Physics, 95, 1185-1195.
Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1998). Molecular dynamics from 2H Quadrupolar Carr-Purcell-Meiboom-Gill solid-state NMR spectroscopy . Chemical Physics Letters, 292, 467-473.
Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1998). QCPMG-MAS NMR of Half-Integer Quadrupolar Nuclei. Journal of Magnetic Resonance, 131, 144-147.
Nielsen, N. C. & Hohwy, M. (1998). Systematic design and evaluation of multiple-pulse experiments in nuclearmagnetic resonance spectroscopy using a semi-continuous Baker-Campbell-Hausdorff expansion. Journal of Chemical Physics, 109, 3780-3791.
Glaser, J. S., Schulte-Herbrüggen, T., Sieveking, M., Schedletzky, O., Nielsen, N. C., Sørensen, O. W. & Griesinger, C. (1998). Unitary Control in Quantum Ensembles: Maximizing Signal Intensity in Coherent Spectroscopy. Science, 280, 421-424.
Hohwy, M., Bower, P., Jakobsen, H. J. & Nielsen, N. C. (1997). A high-order and broadband CRAMPS experiment using z-rotational decoupling . Chemical Physics Letters, 273, 297-303.
Rasmussen, L. K., Sørensen, E., Petersen, T. E., Nielsen, N. C. & Thomsen, J. K. (1997). Characterization of Phosphate Sites in Native Ovine, Caprine, and Bovine Casein Micelles and Their Caseinomacropeptides: A Solid-State Phosphorus-31 Nuclear Magnetic Resonance and Sequence and Mass Spectrometric Study. Journal of Dairy Science, 80, 607-614.
Hohwy, M. & Nielsen, N. C. (1997). Elimination of high order terms in multiple pulse nuclear magneticresonance spectroscopy: Application to homonuclear decoupling in solids. Journal of Chemical Physics, 106, 7574-7586.
Dusold, S., Klaus, E., Sebald, A., Bak, M. & Nielsen, N. C. (1997). Magnitudes and Relative Orientations of Chemical Shielding, Dipolar and J Coupling Tensors for Isolated 31P-31P Spin Pairs Determined by Iterative Fitting of 31P MAS NMR Spectra. Journal of the American Chemical Society, 119, 7121-7129.
Meissner, A., Moskau, D., Nielsen, N. C. & Sørensen, O. W. (1997). Proton-Detected13C-13C Double-Quantum Coherence. Journal of Magnetic Resonance, 124(1), 245-249.
Bak, M. & Nielsen, N. C. (1997). Relative orientation of chemical shielding and dipolar coupling tensors: Mixed single- and double-quantum homonuclear rotary resonancenuclear magnetic resonance of rotating solids. Journal of Chemical Physics, 106(18), 7587-7599.
Bak, M. & Nielsen, N. C. (1997). REPULSION, A Novel Approach to Efficient Powder Averaging in Solid-State NMR. Journal of Magnetic Resonance, 125(1), 132-139.

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen