Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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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.
Bertelsen, K., Pedersen, J. M., Rasmussen, B. S., Skrydstrup, T., Nielsen, N. C. & Vosegaard, T. (2007). Membrane-bound conformation of peptaibols with methyl-deuterated a-amino isobutyric acids by 2H solid-state NMR spectroscopy. Journal of the American Chemical Society, 129, 14717-14723.
Bertelsen, K., Pedersen, J. M., Nielsen, N. C. & Vosegaard, T. (2007). 2D separated-local field spectra from projections of 1D experiments. Journal of Magnetic Resonance, 184, 330-6.
Bertelsen, K., Jensen, B. P., Thøgersen, L., Tajkhorshid, E., Schiøtt, H. B., Skrydstrup, T., Nielsen, N. C. & Vosegaard, T. (2009). Residue-Specific Information about the Dynamics of Antimicrobial Peptides from 1H−15N and 2H Solid-State NMR Spectroscopy. Journal of the American Chemical Society, 131(51), 18335–18342. https://doi.org/10.1021/ja908604u
Bertelsen, K., Jensen, B. P., Nielsen, N. C. & Vosegaard, T. (2009). A dynamic View on Membrane-Bound Peptides by Combined 15N and 2H Oriented-Sample Solid-State NMR. Poster session presented at 50th Experimental NMR conference (ENC), Asilomar, CA, United States.
Bertelsen, K., Dorosz, J., Hansen, S. K., Nielsen, N. C. & Vosegaard, T. (2012). Mechanisms of Peptide-Induced Pore Formation in Lipid Bilayers Investigated by Oriented 31P Solid-State NMR Spectroscopy. PLoS One, 7(10). https://doi.org/10.1371/journal.pone.0047745
Bertelsen, K., Vad, B., Nielsen, E. H. T., Hansen, S. K., Skrydstrup, T., Otzen, D., Vosegaard, T. & Nielsen, N. C. (2011). Long-term-stable ether-lipid vs conventional ester-lipid bicelles in oriented solid-state NMR: altered structural information in studies of antimicrobial peptides. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 115(8), 1767-1774. https://doi.org/10.1021/jp110866g
Bellmann, F., Damidot, D., Möser, B. & Skibsted, J. (2010). Improved evidence for the existence of an intermediate phase during hydration of tricalcium silicate. Cement and Concrete Research, 40, 875-884.
Bechinger, B., Juhl, D. W., Glattard, E. & Aisenbrey, C. (2020). Revealing the Mechanisms of Synergistic Action of Two Magainin Antimicrobial Peptides. Frontiers in Medical Technology, 2, Article 615494. https://doi.org/10.3389/fmedt.2020.615494
Bayley, M., Overgaard, J., Høj, A. S., Malmendal, A., Nielsen, N. C., Holmstrup, M. & Wang, T. (2010). Metabolic changes during estivation in the common earthworm Aporrectodea caliginosa. Physiological and Biochemical Zoology, 83(3), 541-550. https://doi.org/10.1086/651459
Basse, K., Jain, S. K., Bakharev, O. N. & Nielsen, N. C. (2014). Efficient Polarization Transfer between Spin-1/2 and 14N Nuclei in Solid-State MAS NMR Spectroscopy. Journal of Magnetic Resonance, 244, 85-89. https://doi.org/10.1016/j.jmr.2014.04.017
Basse, K., Shankar, R., Bjerring, M., Vosegaard, T., Nielsen, N. C. & Nielsen, A. B. (2016). Handling the influence of chemical shift in amplitude-modulated heteronuclear dipolar recoupling solid-state NMR. Journal of Chemical Physics, 145(9), Article 094202. https://doi.org/10.1063/1.4961736
Barzgar, S., Yan, Y., Tarik, M., Skibsted, J., Ludwig, C. & Lothenbach, B. (2022). A long-term study on structural changes in calcium aluminate silicate hydrates. Materials and Structures/Materiaux et Constructions, 55(10), Article 243. https://doi.org/10.1617/s11527-022-02080-x
Balsgart, N. M. & Vosegaard, T. (2012). Fast Forward Maximum Entropy Reconstruction of Sparsely Sampled Data. Journal of Magnetic Resonance, 223, 164. https://doi.org/10.1016/j.jmr.2012.07.002
Balsgart, N. M., Mulbjerg, M., Guo, Z., Bertelsen, K. & Vosegaard, T. (2016). High Throughput Identification and Quantification of Phospholipids in Complex Mixtures. Analytical Chemistry, 88(4), 2170-2176. https://doi.org/10.1021/acs.analchem.5b03798
Baligács, E., Carvalho, J. P., Nielsen, N. C. & Nielsen, A. B. (2026). Accordion-like tuning of composite pulse dipolar recoupling in solid-state NMR. Journal of Chemical Physics, 164(12), Article 124201. https://doi.org/10.1063/5.0318973
Bakalis, S., Vosegaard, T., Afrough, A. & Malmos, K. G. (2024). Designing Powder Products: A New Take on an Old Problem. Abstract from Food Physics 2024, London, United Kingdom.
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., Rasmussen, J. T. & Nielsen, N. C. (2000). SIMPSON: A general program for solid-state NMR spectroscopy. Journal of Magnetic Resonance, 147, 296-330.
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. Journal of Dairy Science, 84, 1310-1319.
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.
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.
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.
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. & 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.
Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2011). SIMPSON - An important driver for numerical simulations in solid-state NMR spectroscopy. Journal of Magnetic Resonance, 213(2), 401-403. https://doi.org/10.1016/j.jmr.2011.08.002
Avanti, C., Oktaviani, N. A., Hinrichs, W. L. J., Frijlink, H. W. & Mulder, F. A. A. (2013). Aspartate buffer and divalent metal ions affect oxytocin in aqueous solution and protect it from degradation. International Journal of Pharmaceutics, 444(1-2), 139-145. https://doi.org/10.1016/j.ijpharm.2013.01.051
Arnbjerg, L. M., Bomholdt Ravnsbæk, D., Filinchuk, Y., Vang, R. T., Cerenius, Y., Besenbacher, F., Jørgensen, J. E., Jakobsen, H. J. & Jensen, T. R. (2009). Structure and Dynamics for LiBH4-LiCl Solid Solutions. Chemistry of Materials, 21(24), 5772-5782. https://doi.org/10.1021/cm902013k
Angmo, D., Bjerring, M., Nielsen, N. C., Thomson, B. C. & Krebs, F. C. (2015). Fullerene alloy formation and the benefits for efficient printing of ternary blend organic solar cells. Journal of Materials Chemistry, 3(21), 5541-5548. https://doi.org/10.1039/c5tc00781j
Andreasen, M., Nielsen, S. B., Mittag, T., Bjerring, M., Nielsen, J. T., Zhang, S., Nielsen, E. H., Jeppesen, M., Christiansen, G., Besenbacher, F., Dong, M., Nielsen, N. C., Skrydstrup, T. & Otzen, D. E. (2012). Modulation of fibrillation of hIAPP core fragments by chemical modification of the peptide backbone. Biochimica et Biophysica Acta - Proteins and Proteomics, 1824(2), 274-85. https://doi.org/10.1016/j.bbapap.2011.10.014
Andreasen, M., Nielsen, S. B., Runager, K., Christiansen, G., Nielsen, N. C., Enghild, J. J. & Otzen, D. (2012). Polymorphic Fibrillation of the Destabilized Fourth Fasciclin-1 Domain Mutant A546T of the Transforming Growth Factor-β-induced Protein (TGFBIp) Occurs through Multiple Pathways with Different Oligomeric Intermediates. Journal of Biological Chemistry, 287(41), 34730-34742. https://doi.org/10.1074/jbc.M112.379552
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.
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.
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.
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. Inorganic Chemistry, 42, 2280-2287. http://pubs.acs.org/cgi-bin/article.cgi/inocaj/2003/42/i07/pdf/ic020607b.pdf
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. B. (2006). A new aluminium-hydrate species in hydrated Portland cements characterized by 27Al and 29Si MAS NMR spectroscopy. Cement and Concrete Research, 36, 3-17.
Andersen, L. M., Wind, T., Hansen, H. D., Blouse, G., Christensen, A., Jensen, J. K., Malmendal, A., Nielsen, N. C. & Andreasen, P. (2007). Urokinase-type plasminogen activator-inhibiting cyclic peptides demonstrate new modalities for inhibition of serine proteases. Poster session presented at XIth International Workshop on Molecular and Cellular Biology of Plasminogen Activation, Stockholm, Sweden.
Andersen, O. J., Risør, M. W., Poulsen, E. C., Nielsen, N. C., Miao, Y., Enghild, J. J. & Schiøtt, B. (2017). The reactive center loop insertion in α-1-antitrypsin captured by accelerated molecular dynamics simulation. Biochemistry, 56(4), 634-646. https://doi.org/10.1021/acs.biochem.6b00839
Andersen, C. B., Yoshimura, Y., Nielsen, J., Otzen, D. E. & Mulder, F. A. A. (2021). How epigallocatechin gallate binds and assembles oligomeric forms of human alpha-synuclein. The Journal of Biological Chemistry, 296, Article 100788. https://doi.org/10.1016/j.jbc.2021.100788
Andersen, C., Grønnemose, A. L., Pedersen, J. N., Nowak, J. S., Christiansen, G., Nielsen, J., Mulder, F. A. A., Otzen, D. E. & Jørgensen, T. J. D. (2021). Lipid Peroxidation Products HNE and ONE Promote and Stabilize Alpha-Synuclein Oligomers by Chemical Modifications. Biochemistry, 60(47), 3644-3658. https://doi.org/10.1021/acs.biochem.1c00478
Andersen, F. D., Pedersen, K. D., Wilkens Juhl, D., Mygind, T., Chopin, P., B. Svenningsen, E., Poulsen, T. B., Braad Lund, M., Schramm, A., Gotfredsen, C. H. & Tørring, T. (2022). Triculamin: An Unusual Lasso Peptide with Potent Antimycobacterial Activity. Journal of Natural Products, 85(6), 1514-1521. https://doi.org/10.1021/acs.jnatprod.2c00065
Andersen, C. B., Lausdahl, A. K., Nielsen, J., Clausen, M. P., Mulder, F. A. A., Otzen, D. E. & Arnspang, E. C. (2023). 4-Oxo-2-nonenal-Induced α-Synuclein Oligomers Interact with Membranes in the Cell, Leading to Mitochondrial Fragmentation. Biochemistry, 62(16), 2417-2425. https://doi.org/10.1021/acs.biochem.3c00114
Ali, A. A. A. I., Hoffmann, F., Schäfer, L. V. & Mulder, F. A. . A. (2022). Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations. Journal of Chemical Theory and Computation, 18(12), 7722-7732. https://doi.org/10.1021/acs.jctc.2c00568
Akbey, Ü., Nieuwkoop, A. J., Wegner, S., Voreck, A., Kunert, B., Bandara, P., Engelke, F., Nielsen, N. C. & Oschkinat, H. (2014). Quadruple-resonance magic-angle spinning NMR spectroscopy of deuterated solid proteins. Angewandte Chemie, 53(9), 2438-42. https://doi.org/10.1002/anie.201308927
Akbey, Ü. & Oschkinat, H. (2016). Structural biology applications of solid state MAS DNP NMR. Journal of Magnetic Resonance, 269(August), 213-224. https://doi.org/10.1016/j.jmr.2016.04.003
Afrough, A., Christensen, N. V., Jensen, R. W. M., Juhl, D. W. & Vosegaard, T. (2023). Magic Angle Spinning Effects on Longitudinal NMR Relaxation: 15N in L-Histidine. AIP Advances, 13(11), 1-8. Article 115123. https://doi.org/10.1063/5.0177246
Afrough, A., Weihrauch, T. N. A., Juhl, D. W., Bakalis, S., Malmos, K. G. & Vosegaard, T. (2024). Water in Fat-Filled Milk Powder: New Insights by Magnetic Resonance Spectroscopy. Poster session presented at 19th Food Colloids Conference, Thessaloniki, Greece.
Afrough, A., Pérez-Mendigorri, M. & Vosegaard, T. (2025). Automated Data Processing Workflows for Non-Expert Users of NMR Facilities. Magnetic Resonance in Chemistry, 63(8), 604-612. https://doi.org/10.1002/mrc.5540

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen