Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Dupont, D. M., Hansen, M., Jensen, J. K., Kristiansen, S. K., Mathiasen, L., Pedersen, K. E., Skeldal, S., Wind, T., Malmendal, A., Schiøtt, B., Nielsen, N. C. & Andreasen, P. (2006). Novel conformational probes and activity regulators of plasminogen avtivator inhibitor-1, isolated from phage-displayed disulfide bridge constrained peptide libraries. Poster session presented at Annual Meeting of the "Cancer Degradome", København, Denmark.
Hove, A. R., Bildsøe, H. K., Skibsted, J. B., Brorson, M. & Jakobsen, H. J. (2006). Probing Crystal Structures and Transformation Reactions of Ammonium Molybdates by 14N MAS NMR Spectroscopy. Inorg. Chem., 45, 10873-10881.
Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2006). Refinement of Inorganic Structures by Coupling of Density Functional Theory Calculations with Quadrupolar Coupling Interaction Parameters from Solid-State NMR. Poster session presented at 1st EUROMAR Conference, York, United Kingdom.
Jakobsen, H. J., Hove, A. R., Bildsøe, H. K. & Skibsted, J. B. (2006). Satellite transitions in natural abundance solid-state 33S MAS NMR of alums - Sign change with zero-crossing of CQ in a variable temperature study. Journal of Magnetic Resonance, 179, 444-451.
Kehlet, C. & Nielsen, N. C. (2006). Solid-State NMR Experiments by Optimal Control. Bruker Report, 157, 31-34. http://www.bruker-est.com/fileadmin/be_user/News_Events/SpinReport/SpinReport157_31-34.pdf
Jakobsen, H. J., Hove, A. R., Hazell, R. G., Bildsøe, H. K. & Skibsted, J. B. (2006). Solid-state 14N MAS NMR of ammonium ions as a spy to structural insights for ammonium salts. Magn. Reson. Chem., 44, 348-356.
Skibsted, J. B., Andersen, M. D. & Jakobsen, H. J. (2006). Structural Investigations of Portland Cement Components, Hydration, and Effects of Admixtures by Solid-State NMR Spectroscopy. In 16th IBAUSIL - Internationale Baustofftagung, Weimar, Germany: 16th IBAUSIL - Internationale Baustofftagung, Weimar, Germany, 20. - 23. September 2006 (Vol. 1, pp. 297-312). Dorothea Rohrmann.
S.B., E., P.S., B. & Jakobsen, H. J. (Ed.) (2005). -. In S. B. Engelsen, P. S. Belton & H. J. Jakobsen (Eds.), Magnetic Resonance in Food Science, The Multivariate Challenge The Royal Society of Chemistry.
Bertram, H. C., Kristensen, N. B., Malmendal, A., Nielsen, N. C., Bro, R., Andersen, H. J. & Harmon, D. L. (2005). A metabolomic investigation of splanchnic metabolism using 1H NMR spectroscopy of bovine blood plasma. Analystica Chimica Acta, 536, 1-6.
Malmendal, A., Vander Kooi, C. W., Nielsen, N. C. & Chazin, W. (2005). Calcium-modulated S100 protein-phospholipic interactions. An NMR study of calbindin D9k and DPC. Biochemistry, 44, 6502-6512.
Nielsen, N. C. (2005). Computational Aspects of Biological Solid-State NMR Spectroscopy. In NMR Spectroscopy of Biological Solids (pp. Chapter 11). Taylor & Francis.
Jakobsen, H. J. (2005). Det Danske NMR (Diskussions) Møde: 25 År. Dansk Kemi, 86, 38-39.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2005). Effects of T2-relaxation in MAS NMR spectra of the satellite transitions for quadrupolar nuclei: a 27Al MAS and single-crystal NMR study of alum KAl(SO4)2.12H2O. Journal of Magnetic Resonance, (173), 209-217.
Nielsen, M., Thomsen, A. H., Jensen, T. R., Jakobsen, H. J., Skibsted, J. & Gothelf, K. V. (2005). Formation and Structure of Conjugated Salen-Cross-Linked Polymers and Their Application in Asymmetric Heterogeneous Catalysis. Eur. J. Org. Chem., 342-347.
Vosegaard, T., Kehlet, C. T., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2005). Improved excitation schemes for multiple-quantum magic-angle spinning for quadrupolar nuclei designed using optimal control theory. Journal of the American Chemical Society, 127, 13768-13769.
Kehlet, C. T., Vosegaard, T., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2005). Low-power homonuclear dipolar recoupling in solid-state NMR developed using optimal control theory. Chemical Physics Letters, 414, 204-209.
Jensen, T. R., Gérentes, N., Jepsen, J., Hazell, R. G. & Jakobsen, H. J. (2005). New Amine-Templated Zinc Phosphates with a Temperature-Induced Increase of Structural Dimensionality. Inorg. Chem., 44(3), 658.
Sivertsen, A. C., Bjerring, M., Kehlet, C. T., Vosegaard, T. & Nielsen, N. C. (2005). Numerical Simulations in Biological Solid-State NMR Spectroscopy. Ann. R. NMR. S., 54, 243-293.
Bertram, H. C., Jakobsen, H. J. & Nielsen, O. B. (2005). Origin of the high-frequency resonances in 1H NMR spectra of muscle tissue: an in vitro slow magic-angle spinning study. Journal of Agricultural and Food Chemistry, 53, 3229-3234.
Bertram, H. C., Jakobsen, H. J. & Nielsen, O. B. (2005). Origin of the High-Frequency Resonances in 1H NMR Spectra of Muscle Tissue: An in Vitro Slow Magic-Angle Spinning Study. Journal of Agricultural and Food Chemistry, 53, 3229-3234.
Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2005). Refinement of Borate Structures from 11B MAS NMR Spectroscopy and Density Functional Theory Calculations of 11B Electric Field Gradients. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(9), 1989-1997.
Kamihira, M., Vosegaard, T., Mason, A. J., Straus, S. K., Nielsen, N. C. & Watts, A. (2005). Structural and orientational constraints of bacteriorhodopsin in purple membranes determined by oriented-sample solid-state NMR spectroscopy. J. Struct. Biol., 149, 7-16.
Zhou, B., Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2005). Structure refinement of CsNO3(II) by coupling of 14N MAS NMR experiments with WIEN2k DFT calculations. Chemical Physics Letters, 402, 133-137.
Bertram, H. C., Kristensen, N. B., Malmendal, A., Nielsen, N. C., Jensen, S. K. & Harnon, D. L. (2004). An NMR-based metabolomic approach to assess metabolism in splanchnic tissues of steers. J. Anim. Feed Sci., 13, 295-298.
Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2004). A solid-state 14N magic-angle spinning NMR study of some amino acids. Journal of Magnetic Resonance, 166, 262-272.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2004). Characterization of white Portland cement hydration and the C-S-H structure in the presence of sodium aluminate by 27Al and 29Si MAS NMR spectroscopy. Cement and Concrete Research, 34, 857-868.
Bertram, H. C., Jakobsen, H. J. & Andersen, H. J. (2004). Combined High-Field 13C CP MAS NMR and Low-Field NMR Relaxation Measurements on Post Mortem Porcine Muscles. Journal of Agricultural and Food Chemistry, 52, 3159-3164.
Christodoulou, J., Malmendal, A., Harper, J. F. & Chazin, W. J. (2004). Evidence for differing roles for each lobe of the Calmodulin-like domain in a calcium-dependent protein kinase (CDPK). J. Bio. Chem., 279, 29092-29100.
Siminovitch, D., Untidt, T. S. & Nielsen, N. C. (2004). Exact effective Hamiltonian theory. II: Expansion of matrix functions and entangled unitary exponential operators. Journal of Chemical Physics, 120, 51-66.
Vosegaard, T. & Nielsen, N. C. (2004). Improved pulse sequences for pure exchange solid-state NMR spectroscopy. Magn. Reson. Chem., 42(2), 285-290.
Kehlet, C. T., Sivertsen, A. C., Bjerring, M., Reiss, T. O., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2004). Improving Solid-State NMR Dipolar Recoupling by Optimal Control. Journal of the American Chemical Society, 126, 10202-10203.
Hansen, M. R., Vosegaard, T., Jakobsen, H. J. & Skibsted, J. (2004). 11B Chemical Shift Anisotropies in Borates from 11B MAS, MQMAS, and Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 586-594.
Nielsen, N. C., Malmendal, A. & Vosegaard, T. (2004). Techniques and Applications of NMR to Membrane Proteins. Mol. Membr. Biol., 21, 129-141.
Nielsen, U. G., Topsøe, N.-Y., Brorson, M., Skibsted, J. & Jakobsen, H. J. (2004). The Complete 51V MAS NMR Spectrum of Surface Vanadia Nanoparticles on Anatase (TiO2): Vanadia Surface Structure of a DeNOx Catalysts. Journal of the American Chemical Society, 126(15), 4926-4933.
Drits, V. A., Lindgreen, H., Sakharov, B. A., Jakobsen, H. J. & Zviagina, B. B. (2004). The detailed structure and origin of clay minerals at the Cretaceous/Tertiary boundary, Stevns Klint (Denmark). Clay Minerals, 39, 367-390.
Hansen, M. R., Jakobsen, H. J. & Skibsted, J. (2003). 29Si chemical shift anisotropies in calcium silicates from high-field 29Si MAS NMR spectroscopy. Inorg. Chem. 42, 2368-2377, 42, 2368-2377. http://pubs.acs.org/cgi-bin/article.cgi/inocaj/2003/42/i07/pdf/ic020647f.pdf
Skibsted, J., Rasmussen, S., Herfort, D. & Jakobsen, H. J. (2003). 29Si cross-polarization magic-angle spinning NMR spectroscopy - an efficient tool for quantification of thaumasite in cement-based materials. Cement and Concrete Composites, 25, 823-829. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-4979J9S-6-1X&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c&wc hp=dGLbVzz-zSkWz&_acct=C000034578&_version=1&_userid=642076&md5=71df6a362168e2cc4a3ae3d9a8c7702b&ie=f.pdf
Hauch, A., Bildsøe, H., Jakobsen, H. J. & Skibsted, J. (2003). 2H chemical shift anisotropies from high-field 2H MAS NMR spectroscopy. Journal of Magnetic Resonance, 165, 282-292. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6WJX-49W6PFP-2-4D&_cdi=6890&_orig=browse&_coverDate=12%2F31%2F2003&_sk=998349997&view=c&w chp=dGLbVlz-zSkWW&_acct=C000034578&_version=1&_userid=642076&md5=bce9dc96bf576f0f1c666a00590d7024&ie=f.pdf
Juel, I., Herfort, D., Gollop, R., Konnerup-Madsen, J., Jakobsen, H. J. & Skibsted, J. (2003). A thermodynamic model for predicting the stability of thaumasite. Cement and Concrete Composites, 25, 867-872. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-49NVGWW-1-H&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c& wchp=dGLbVtb-zSkWb&_acct=C000034578&_version=1&_userid=642076&md5=77425a3e0e1a20826942ceed2924c3c8&ie=f.pdf
Skibsted, J., Andersen, M. D., Hansen, M. R. & Jakobsen, H. J. (2003). Characterization of Guest-Ions in Cement Minerals and the C-S-H Phase by solid-State NMR Spectroscopy. Poster session presented at Rocky Mountain Conference on Analytical Chemistry, Denver, Colorado, United States.
Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Determination of nitrogen chemical shift anisotropy from the second-order cross-term in 14N MAS NMR spectroscopy. Chemical Physics Letters, 377, 426-432. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TFN-495VMSG-4-2T&_cdi=5231&_orig=browse&_coverDate=08%2F15%2F2003&_sk=996229996&view=c&w chp=dGLbVtb-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=c9bfe228a62531273aedb2446be7cb07&ie=f.pdf
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
Krøyer, H., Lindgreen, H., Jakobsen, H. J. & Skibsted, J. (2003). Hydration of Portland cement in the presence of clay minerals studied by 29Si and 27Al MAS NMR spectroscopy. Advances in Cement Research, 15, 103-112.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2003). Incorporation of aluminum in the calcium silicate hydrate (C-S-H) of hydrated Portland cements: A high-field 27Al and 29Si MAS NMR investigation. Inorg. Chem., 42, 2280-2287. http://pubs.acs.org/cgi-bin/article.cgi/inocaj/2003/42/i07/pdf/ic020607b.pdf
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.
Malmendal, A., Halpain, S. & Chazin, W. J. (2003). Nascent structure in the kinase anchoring domain of microtubule-associated protein 2. Biochem. Biophys. Res. Comm., 301, 136-142.
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.
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.

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen