Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Ho, T. M., Abik, F., Hietala, S., Isaza Ferro, E., Pitkänen, L., Juhl, D. W., Vosegaard, T., Kilpeläinen, P. O. & Mikkonen, K. S. (2023). Wood lignocellulosic stabilizers: effect of their characteristics on stability and rheological properties of emulsions. Cellulose, 30(2), 753-773. https://doi.org/10.1007/s10570-022-04958-z
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.
Juhl, D. W., Tosner, Z. & Vosegaard, T. (2020). Versatile NMR simulations using SIMPSON. Annual Reports on N M R Spectroscopy, 100(Chapter One), 1-59. https://doi.org/10.1016/bs.arnmr.2019.12.001
Nielsen, J. T., Bjerring, M., Jeppesen, M., Pedersen, R. O., Pedersen, J. M., Hein, K. L., Vosegaard, T., Skrydstrup, T., Otzen, D. & Nielsen, N. C. (2009). Unique identification of supramolecular structures in amyloid fibrils by solid-state NMR spectroscopy. Angewandte Chemie International Edition, 48, 2118-2121.
Nielsen, J. T., Bjerring, M., Jeppesen, M., Pedersen, R. O., Pedersen, J. M., Hein, K. L., Vosegaard, T., Skrydstrup, T., Otzen, D. & Nielsen, N. C. (2009). Unique Identification of Supramolecular Structures in Amyloid Fibrils by Solid-State NMR. Poster session presented at 50th Experimental NMR conference (ENC), Asilomar, CA, United States.
Coulon, R., Gajan, D., Papawassiliou, W., Pell, A. J., Schlagnitweit, J., Fayon, F., Florian, P., Massiot, D., Afrough, A., Juhl, D. W., Vosegaard, T., Cerofolini, L., Lelli, M., Lucci, M., Luchinat, C., Aspers, R. L. E. G., Gómez, J. S., Kentgens, A. P. M., Lambregts, S. F. H. ... Lesage, A. (2025). Transforming solid-state nuclear magnetic resonance towards a chemistry-ready technique. Solid State Nuclear Magnetic Resonance, 140, Article 102048. https://doi.org/10.1016/j.ssnmr.2025.102048
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.
Frahm, H., Hansen, S. K., Vad, B. S., Nielsen, E. H., Nielsen, J. T., Vosegaard, T., Skrydstrup, T. & Otzen, D. E. (2015). The natural, peptaibolic peptide SPF-5506-A4 adopts a β-bend spiral structure, shows low hemolytic activity and targets membranes through formation of large pores. Biochimica et Biophysica Acta - Proteins and Proteomics, 1854(8), 882-889. https://doi.org/10.1016/j.bbapap.2015.03.003
Fruergaard, S., Lund, M. B., Schramm, A., Vosegaard, T. & Bilde, T. (2021). The myth of antibiotic spider silk. iScience, 24(10), Article 103125. https://doi.org/10.1016/j.isci.2021.103125
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.
Nielsen, N. C., Malmendal, A. & Vosegaard, T. (2004). Techniques and Applications of NMR to Membrane Proteins. Mol. Membr. Biol., 21, 129-141.
Villadsen, N. L., Jacobsen, K. M., Keiding, U., Weibel, E. T., Christiansen, B., Vosegaard, T., Bjerring, M., Jensen, F., Johannsen, M., Tørring, T. & Poulsen, T. (2017). Synthesis of ent-BE-43547A1 reveals a potent hypoxia-selective anticancer agent and uncovers the biosynthetic origin of the APD-CLD natural products. Nature Chemistry, 9(3), 264-272. https://doi.org/10.1038/nchem.2657
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.
Yde, C. C., Verstraeten, S. V. & Vosegaard, T. (2016). 31P NMR spectroscopy - strong interaction between wild bilberry components and cell membranes. Poster session presented at EUROMAR 2016, Aarhus, Denmark.
Vosegaard, T. & Jakobsen, H. J. (1997). 27Al Chemical Shielding Anisotropy. Journal of Magnetic Resonance, 128(2), 135-137. https://doi.org/10.1006/jmre.1997.1236
Skibsted, J., Vosegaard, T., Bildsøe, H. & Jakobsen, H. J. (1996). 133Cs Chemical Shielding nisotropies and Quadrupole Couplings from Magic-Angle Spinning NMR of Cesium Salts. Journal of Physical Chemistry, 100(36), 14872-14881. https://doi.org/10.1021/jp9608741
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.
Mortensen, H. G., Jensen, G. V., Hansen, S. K., Vosegaard, T. & Pedersen, J. S. (2018). Structure of phospholipid mixed micelles (Bicelles) studied by small-angle X-ray scattering. Langmuir, 34(48), 14597-14607. https://doi.org/10.1021/acs.langmuir.8b02704
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.
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., Skibsted, J., Bildsøe, H. & Jakobsen, H. J. (1999). Solid-state 87Rb NMR of RbVO3. A comparison of experiments for retrieving chemical shielding and quadrupole coupling tensorial interactions. Solid State Nuclear Magnetic Resonance, 14(3-4), 203-210. https://doi.org/10.1016/S0926-2040(99)00021-1
Hansen, S. K., Bertelsen, K., Jensen, B. P., Nielsen, N. C. & Vosegaard, T. (2015). Solid-State NMR Methods for Oriented Membrane Proteins. Progress in Nuclear Magnetic Resonance Spectroscopy, 88-89, 48-85. https://doi.org/10.1016/j.pnmrs.2015.05.001
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.
Nielsen, A. B., Hansen, M. R., Andersen, J. E. & Vosegaard, T. (2019). Single-Spin Vector Analysis of Strongly Coupled Nuclei in TOCSY NMR Experiments. Journal of Chemical Physics, 151(13), Article 134117. https://doi.org/10.1063/1.5123046
Vosegaard, T. (2021). Single-crystal NMR spectroscopy. Progress in Nuclear Magnetic Resonance Spectroscopy, 123, 51-72. https://doi.org/10.1016/j.pnmrs.2021.01.001
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.
Vosegaard, T., Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1997). Sensitivity-Enhanced Multiple-Quantum MAS NMR of Half-Integer Quadrupolar Nuclei. Journal of the American Chemical Society, 119, 9055-9056.
Vosegaard, T., Bertelsen, K., Pedersen, J. M., Thøgersen, L., Schiøtt, B., Tajkhorshid, E., Skrydstrup, T. & Nielsen, N. C. (2008). Resolution Enhancement in Solid-State NMR of Oriented Membrane Proteins by Anisotropic Differential Linebroadening. Journal of the American Chemical Society, 130, 5028-5029.
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
Scoma, A., Heyer, R., Rifai, R., Dandyk, C., Marshall, I., Kerckhof, F. M., Marietou, A., Boshker, H. T. S., Meysman, F. J. R., Malmos, K. G., Vosegaard, T., Vermeir, P., Banat, I. M., Benndorf, D. & Boon, N. (2019). Reduced TCA cycle rates at high hydrostatic pressure hinder hydrocarbon degradation and obligate oil degraders in natural, deep-sea microbial communities. ISME Journal, 13(4), 1004-1018. https://doi.org/10.1038/s41396-018-0324-5
Brenner, D., Vinding, M. S., Tse, D. H. Y., Vellmer, S., Vosegaard, T., Suter, D., Stöcker, T. & Maximov, I. (2016). Reduced field of view diffusion imaging at 7T using the “blOCh” pulse design package. Poster session presented at EUROMAR 2016, Aarhus, Denmark.
Malmos, K., Gouilleux, B. A., Sønderskov, P., Andersen, T., Frambøl, J. V. & Vosegaard, T. (2018). Quantification of Ammonium Phosphatide Emulsifiers in Chocolate Using 31P NMR Spectroscopy. Journal of Agricultural and Food Chemistry, 66(39), 10309–10316. https://doi.org/10.1021/acs.jafc.8b04379
Vosegaard, T., Skibsted, J., Bildsøe, H. K. & Jakobsen, H. J. (1996). Quadrupole Coupling and Anisotropic Shielding from Single-Crystal NMR of the Central Transition for Quadrupolar Nuclei. 87Rb NMR of RbClO4 and Rb2SO4. Journal of Magnetic Resonance, 122(2), 111-119. https://doi.org/10.1006/jmra.1996.0186
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.
Thøgersen, L., Schiøtt, B., Vosegaard, T., Nielsen, N. C. & Tajkhorshid, E. (2008). Peptide Aggregation and Pore Formation in a Lipid Bilayer: A Combined Coarse-Grained and All Atom Molecular Dynamics Study. Biophysical Journal, 95(9), 4337-4347. https://doi.org/10.1529/biophysj.108.133330
Sørensen, J. J. W. H., Nyemann, J. S., Motzoi, F., Sherson, J. & Vosegaard, T. (2020). Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei. Journal of Chemical Physics, 152(5), Article 054104. https://doi.org/10.1063/1.5141384
Grombacher, D. J., Vinding, M. S., Vosegaard, T. & Auken, E. (2016). Optimal control to design pulses providing high SNR and sharp resolution in geophysical surface NMR. Poster session presented at EUROMAR 2016, Aarhus, Denmark.
Tosner, Z., Vosegaard, T., Kehlet, C., Khaneja, N., Glaser, S. & Nielsen, N. C. (2009). Optimal control in NMR spectroscopy: Numerical implementation in SIMPSON. Journal of Magnetic Resonance, 197, 120-134. https://doi.org/10.1016/j.jmr.2008.11.020
Kehlet, C., Tosner, Z., Nielsen, A. B., Bjerring, M., Nielsen, J. T., Vinding, M. S., Vosegaard, T., Glaser, S. J., Khaneja, N. & Nielsen, N. C. (2009). Optimal Control in NMR Spectroscopy: Implementation into SIMPSON and Novel Experiments for Biological Solid-State NMR. Poster session presented at 50th Experimental NMR conference (ENC), Asilomar, CA, United States.
Hansen, J. Ø., Kehlet, C., Bjerring, M., Vosegaard, T., Glaser, S., Khaneja, N. & Nielsen, N. C. (2007). Optimal control based design of composite dipolar recoupling experiments by analogy to single-spin inversion pulses. Chemical Physics Letters, 447, 154-161. https://doi.org/10.1016/j.cplett.2007.08.072
Vosegaard, T., Tosner, Z. & Nielsen, N. C. (2010). Numerical Simulations in Solid-State NMR with SIMPSON. In M. A.E. & T. Polenova (Eds.), Solid-State NMR of Biopolymers (pp. 377-394). John Wiley & Sons Ltd.
Vosegaard, T., Tosner, Z. & Nielsen, N. C. (2010). Numerical Simulations in Solid-State NMR with SIMPSON. In Encyclopedia of Magnetic Resonance Wiley. https://doi.org/10.1002/9780470034590.emrstm1097
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.
Vosegaard, T. & Nielsen, N. C. (2014). NMR Investigations of the Structure and Dynamics of Antimicrobial Peptides: The Peptaibol Alamethicin. In F. Separovic & A. Naito (Eds.), Advances in Biological Solid-State NMR: Proteins and Membrane-Active Peptides (pp. 267-286). Royal Society of Chemistry. https://doi.org/10.1039/9781782627449-00267
Jespersen, S. N., Bjarkam, C. R., Nyengaard, J. R., Mallar, C., Hansen, B., Vosegaard, T., Østergaard, L., Yablonskiy, DA., Nielsen, N. C. & Vestergaard-Poulsen, P. (2010). Neurite density from magnetic resonance diffusion measurements at ultrahigh field: comparison with light microscopy and electron microscopy. NeuroImage, 49(1), 205-16. https://doi.org/10.1016/j.neuroimage.2009.08.053
Mortensen, H. G., Madsen, J. K., Andersen, K. K., Vosegaard, T., Deen, G. R., Otzen, D. E. & Pedersen, J. S. (2017). Myoglobin and α-Lactalbumin Form Smaller Complexes with the Biosurfactant Rhamnolipid Than with SDS. Biophysical Journal, 113(12), 2621-2633. https://doi.org/10.1016/j.bpj.2017.10.024
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.
Tolchard, J., Le Marchand, T., Aspers, R. L. E. G., Batta, G., Bechinger, B., Brath, U., Chasapi, S. A., Čikoš, A., Ecsedi, K., Favier, A., Ferreira, A. S. D., Fiala, R., Georgiopoulou, P. D., Gómez, J. S., Jaudzems, K., Karlsson, G., Kentgens, A. P. M., Lambregts, S. F. H., Morelli, F. ... Pintacuda, G. (2026). Moving NMR infrastructures to remote access capabilities. Progress in Nuclear Magnetic Resonance Spectroscopy, 152-153, Article 101595. https://doi.org/10.1016/j.pnmrs.2026.101595
Aagaard, A., Bechsgaard, J., Sørensen, J. G., Sandfeld, T., Settepani, V., Bird, T. L., Lund, M. B., Malmos, K. G., Falck-Rasmussen, K., Darolti, I., Nielsen, K. L., Johannsen, M., Vosegaard, T., Tregenza, T., Verhoeven, K. J. F., Mank, J. E., Schramm, A. & Bilde, T. (2024). Molecular Mechanisms of Temperature Tolerance Plasticity in an Arthropod. Genome Biology and Evolution, 16(8), Article evae165. https://doi.org/10.1093/gbe/evae165
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.

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen