Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Straasø, L. A., Shankar, R., Tan, K. O., Hellwagner, J., Meier, B. H., Hansen, M. R., Nielsen, N. C., Vosegaard, T., Ernst, M. & Nielsen, A. B. (2016). Improved transfer efficiencies in radio-frequency-driven recoupling solid-state NMR by adiabatic sweep through the dipolar recoupling condition. The Journal of Chemical Physics, 145(3), Article 034201. https://doi.org/10.1063/1.4958318
Srivastava, D., Vosegaard, T., Massiot, D. & Grandinetti, P. J. (2020). Core Scientific Dataset Model: A lightweight and portable model and file format for multi-dimensional scientific data. PLoS One, 15(1), Article e0225953. https://doi.org/10.1371/journal.pone.0225953
Sørensen, M. K., M. Balsgart, N., Jensen, O., Nielsen, N. C. & Vosegaard, T. (2018). Fast Wide‐Line Solid‐State NMR on a Low‐Cost Benchtop Spectrometer. ChemPhysChem, 19(22), 2985-2988. https://doi.org/10.1002/cphc.201800711
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
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
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.
Shankar, R., Ernst, M., Madhu, P. K., Vosegaard, T., Nielsen, N. C. & Nielsen, A. B. (2017). A general theoretical description of the influence of isotropic chemical shift in dipolar recoupling experiments for solid-state NMR. Journal of Chemical Physics, 146(13), Article 134105. https://doi.org/10.1063/1.4979123
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
Sandfeld, T., Wurster, M., Malmos, K., Bechsgaard, J. S., Lalk, M., Vosegaard, T., Bilde, T. & Schramm, A. (2018). Metabolite Profiling of Social Spiders (Stegodyphus dumicola) along a Climate Gradient. Poster session presented at 17th International Symposium on Microbial Ecology, Leipzig, Germany.
Sandfeld, T., Malmos, K. G., Nielsen, C. B., Lund, M. B., Aagaard, A., Bechsgaard, J., Wurster, M., Lalk, M., Johannsen, M., Vosegaard, T., Bilde, T. & Schramm, A. (2022). Metabolite Profiling of the Social Spider Stegodyphus dumicola Along a Climate Gradient. Frontiers in Ecology and Evolution, 10, Article 841490. https://doi.org/10.3389/fevo.2022.841490
Nielsen, N. C., Malmendal, A. & Vosegaard, T. (2004). Techniques and Applications of NMR to Membrane Proteins. Mol. Membr. Biol., 21, 129-141.
Nielsen, N. C., Vosegaard, T. & Malmendal, A. (2006). Analytical and Numerical Tools for Experiment Design in Solid-State NMR Spectroscopy. In Handbook of Modern Magnetic Resonance
Nielsen, N. C., Vosegaard, T., Ishijima, M. K. & Watts, A. (2007). Helix Conformations in 7TM Membrane Protein Determined using Oriented Sample Solid-State NMR. Biophysical Journal, 94, 241-250.
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.
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
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
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
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
Malmos, K. G., Bjerring, M., Jessen, C. M., Nielsen, E. H. T., Poulsen, E. T., Christiansen, G., Vosegaard, T., Skrydstrup, T., Enghild, J. J., Pedersen, J. S. & Otzen, D. E. (2016). How Glycosaminoglycans Promote Fibrillation of Salmon Calcitonin. Journal of Biological Chemistry, 291(32), 16849-16862. https://doi.org/10.1074/jbc.M116.715466
Malmos, K. G., Bjerring, M., Jessen, C. M., Nielsen, E. H. T., Poulsen, E. T., Christiansen, G., Vosegaard, T., Skrydstrup, T., Enghild, J. J., Pedersen, J. S. & Otzen, D. E. (2017). Correction to: How glycosaminoglycans promote fibrillation of salmon calcitonin. Journal of Biological Chemistry, 292(38), 15992. https://doi.org/10.1074/jbc.A116.715466
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
Malmos, K. G., Lüdeking, A. H., Vosegaard, T., Aagaard, A., Bechsgaard, J., Sørensen, J. G. & Bilde, T. (2021). Behavioural and physiological responses to thermal stress in a social spider. Functional Ecology, 35(12), 2728-2742. https://doi.org/10.1111/1365-2435.13921
Li, J., Vosegaard, T. & Guo, Z. (2017). Applications of nuclear magnetic resonance in lipid analyses: An emerging powerful tool for lipidomics studies. Progress in Lipid Research, 68, 37-56. https://doi.org/10.1016/j.plipres.2017.09.003
Koppe, J., Yakimov, A. V., Gioffrè, D., Usteri, M. E., Vosegaard, T., Pintacuda, G., Lesage, A., Pell, A. J., Mitchell, S., Pérez-Ramírez, J. & Copéret, C. (2025). Coordination environments of Pt single-atom catalysts from NMR signatures. Nature, 642(8068), 613-619. https://doi.org/10.1038/s41586-025-09068-x
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.
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.
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.
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
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
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.
Hundebøl, B. N. R. G., Rohde, P. D., Kristensen, T. N., Jensen, R. W. M., Vosegaard, T. & Sørensen, J. G. (2024). Bugs on Drugs: Paracetamol Exposure Reveals Genotype-Specific Generational Effects on Life History Traits in Drosophila melanogaster. Insects, 15(10), Article 763. https://doi.org/10.3390/insects15100763
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
Hjørringgaard, C. U., Pedersen, J. M., Vosegaard, T., Nielsen, N. C. & Skrydstrup, T. (2009). An automatic solid-phase synthesis of peptaibols. Journal of Organic Chemistry, 74, 1329–1332.
Hjørringgaard, C. U., Vad, B., Nielsen, S. B., Matchkov, V., Vosegaard, T., Nielsen, N. C., Otzen, D. & Skrydstrup, T. (2010). Cyclodextrin scaffolded alamethicin with highly efficient channel-forming properties. Journal of Peptide Science, 16, 148.
Hjørringgaard, C. U., Pedersen, J. M., Vosegaard, T., Nielsen, N. C. & Skrydstrup, T. (2008). A Highly Time-saving and Efficient Automatic Solid Phase Synthesis of Peptaibols. Poster session presented at Organic Chemistry and Scientific Presentation Techniques. OCHEM SCHOOL, Sandbjerg, Denmark.
Hjørringgaard, C. U., Pedersen, J. M., Vosegaard, T., Nielsen, N. C. & Skrydstrup, T. (2008). A Highly Time-saving and Efficient Automatic Solid Phase Synthesis of Peptaibols. Poster session presented at iNANO Autumn School, Fuglsø Centret, Denmark.
Hjørringgaard, C. U., Vad, B. S., Matchkov, V., Nielsen, S. B., Vosegaard, T., Nielsen, N. C., Otzen, D. & Skrydstrup, T. (2010). Cyclodextrin Scaffolded Alamethicin with Highly Efficient Channel-forming Properties. Poster session presented at 31st European Peptide Symposium, 31EPS, Copenhagen, Denmark.
Hjørringgaard, C. U., Pedersen, J. M., Vosegaard, T., Nielsen, N. C. & Skrydstrup, T. (2009). An Automatic Solid-Phase Synthesis of Peptaibols. Abstract from 2nd Modern Solid Phase Peptide Synthesis & Its Applications Symposium, Gold Coast, Australia.
Hjørringgaard, C. U., Vad, B. S., Matchkov, V., Nielsen, S. B., Vosegaard, T., Nielsen, N. C., Otzen, D. & Skrydstrup, T. (2012). Cyclodextrin-Scaffolded Alamethicin with Remarkably Efficient Membrane Permeabilizing Properties and Membrane Current Conductance. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 116(26), 7652-7659. https://doi.org/10.1021/jp2098679
Henriksen, M. L., Ravnsbæk, J. B., Bjerring, M., Vosegaard, T., Daasbjerg, K. & Hinge, M. (2017). Epoxy Matrices Modified by Green Additives for Recyclable Materials. ChemSusChem (Print), 10(14), 2936-2944. https://doi.org/10.1002/cssc.201700712
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.
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
Hansen, S. K., Vestergaard, M., Thøgersen, L., Schiøtt, B., Nielsen, N. C. & Vosegaard, T. (2014). Lipid Dynamics Studied by Calculation of 31P Solid-State NMR Spectra Using Ensembles from Molecular Dynamics Simulations. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 118(19), 5119-5129. https://doi.org/10.1021/jp5000304
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
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.
Gouilleux, B., Christensen, N. V., Malmos, K. G. & Vosegaard, T. (2019). Analytical Evaluation of Low-Field 31P NMR Spectroscopy for Lipid Analysis. Analytical Chemistry, 91(4), 3035-3042. https://doi.org/10.1021/acs.analchem.8b05416
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.
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
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

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen