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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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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

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

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, 1-8. Article 115123. https://doi.org/10.1063/5.0177246

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

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

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

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

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

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, 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

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

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

Vinding, M. S., Guérin, B., Vosegaard, T. & Chr. Nielsen, N. (2019). Erratum to: Local SAR, global SAR, and power-constrained large-flip-angle pulses with optimal control and virtual observation points: SAR Constrained Large-Flip-Angle Pulses (Magnetic Resonance in Medicine, (2017), 77, 1, (374-384), 10.1002/mrm.26086). Magnetic Resonance in Medicine, 81(3), 2195-2195. https://doi.org/10.1002/mrm.27581

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

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. (2018). Fast simulations of multidimensional NMR spectra of proteins and peptides. Magnetic Resonance in Chemistry, 56(6), 438-448. https://doi.org/10.1002/mrc.4663

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

Vosegaard, T. (2018). iSpec: A Web-Based Activity for Spectroscopy Teaching. Journal of Chemical Education, 95(1), 90-103. https://doi.org/10.1021/acs.jchemed.7b00482

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.

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

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

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

Vinding, M. S., Brenner, D., Tse, D. H. Y., Vellmer, S., Vosegaard, T., Suter, D., Stöcker, T. & Maximov, I. (2017). Application of the limited-memory quasi-Newton algorithm for multi-dimensional, large flip-angle RF pulses at 7T. Magnetic Resonance Materials in Physics, Biology and Medicine, 30(1), 29-39. https://doi.org/10.1007/s10334-016-0580-1

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

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

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

Vestergaard, M., Christensen, M., Hansen, S. K., Gronvall, D., Kjolbye, L. R., Vosegaard, T. & Schiott, B. (2017). How a short pore forming peptide spans the lipid membrane. Biointerphases, 12(2), Article 02D405. https://doi.org/10.1116/1.4982642

Vinding, M. S., Guérin, B., Vosegaard, T. & Nielsen, N. C. (2017). Local SAR, global SAR, and power-constrained large-flip- angle pulses with optimal control and virtual observation points. Magnetic Resonance in Medicine, 77(1), 374–384. https://doi.org/10.1002/mrm.26086

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

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

Vinding, M. S., Kessler, T. O. & Vosegaard, T. (2016). A Simple Low-Cost Single-Crystal NMR Setup. Journal of Magnetic Resonance, 269, 120-127. https://doi.org/10.1016/j.jmr.2016.06.004

Vinding, M. S., Kessler, T. O. & Vosegaard, T. (2016). A Single-Crystal NMR Kit for Your Existing NMR Probe. Poster session presented at EUROMAR 2016, Aarhus, Denmark.

Vinding, M. S., Brenner, D., Tse, D. H. Y., Vellmer, S., Vosegaard, T., Suter, D., Stöcker, T. & Maximov, I. (2016). Brain stem zoomed echo planar imaging with optimal control parallel transmit at 7T. Abstract from EUROMAR 2016, Aarhus, Denmark.

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

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

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

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

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.

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.

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.

Zhang, R., Damron, J., Vosegaard, T. & Ramamoorthy, A. (2015). A Cross-Polarization Based Rotating-Frame Separated-Local-Field NMR Experiment Under Ultrafast MAS Conditions. Journal of Magnetic Resonance, 250, 37-44. https://doi.org/10.1016/j.jmr.2014.10.013

Vestergaard, M., Kraft, J. F., Vosegaard, T., Thøgersen, L. & Schiøtt, B. (2015). Bicelles and Other Membrane Mimics: Comparison of Structure, Properties, and Dynamics from MD Simulations. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(52), 15831-15843. https://doi.org/10.1021/acs.jpcb.5b08463

Vosegaard, T. (2015). jsNMR: An Embedded Platform-Independent NMR Spectrum Viewer. Magnetic Resonance in Chemistry, 53(4), 285-290. https://doi.org/10.1002/mrc.4195

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

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. B B A - Proteins and Proteomics, 1854(8), 882-889. https://doi.org/10.1016/j.bbapap.2015.03.003

Tosner, Z., Andersen, R., Stevensson, B., Edén, M., Nielsen, N. C. & Vosegaard, T. (2014). Computer-intensive simulation of solid-state NMR experiments using SIMPSON. Journal of Magnetic Resonance, 246, 79-93. https://doi.org/10.1016/j.jmr.2014.07.002

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

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

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

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

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Lise Refstrup Linnebjerg Pedersen