Publications

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Goodwin, D. L., Carvalho, J. P., Nielsen, A. B., Wili, N., Brinkmann, A., Vosegaard, T., Tošner, Z. & Nielsen, N. C. (2026). Extending numerical simulations in SIMPSON: Electron paramagnetic resonance, dynamic nuclear polarisation, propagator splitting, pulse transients, and quadrupolar cross terms. Journal of Magnetic Resonance Open, 27, Artikel 100218. https://doi.org/10.1016/j.jmro.2026.100218

Afrough, A. & Vosegaard, T. (2026). Lifetime distribution of multiexponential recovery processes. Physical Review Applied, 25(3), Artikel 034020. https://doi.org/10.1103/v4pb-vvd2

Afrough, A., Andersen, P., Weihrauch, T. N. A., Juhl, D. W., Bakalis, S., Malmos, K. G. & Vosegaard, T. (2026). Mobility of lactose in Milk powders. Food Research International, 231 Part 2, Artikel 118724. https://doi.org/10.1016/j.foodres.2026.118724

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, Artikel 101595. https://doi.org/10.1016/j.pnmrs.2026.101595

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

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

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, Artikel 102048. https://doi.org/10.1016/j.ssnmr.2025.102048

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), Artikel 763. https://doi.org/10.3390/insects15100763

Bakalis, S., Vosegaard, T., Afrough, A. & Malmos, K. G. (2024). Designing Powder Products: A New Take on an Old Problem. Abstract fra Food Physics 2024, London, Storbritannien.

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), Artikel evae165. https://doi.org/10.1093/gbe/evae165

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 præsenteret på 19th Food Colloids Conference, Thessaloniki, Grækenland.

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. Artikel 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, Artikel 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), Artikel 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), Artikel 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), Artikel 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), Artikel 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), 97-103. 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 præsenteret på 17th International Symposium on Microbial Ecology, Leipzig, Tyskland.

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), Artikel 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, 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), Artikel 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 præsenteret på EUROMAR 2016, Aarhus, Danmark.

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 fra EUROMAR 2016, Aarhus, Danmark.

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), Artikel 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), Artikel 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 præsenteret på EUROMAR 2016, Aarhus, Danmark.

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 præsenteret på EUROMAR 2016, Aarhus, Danmark.

Yde, C. C., Verstraeten, S. V. & Vosegaard, T. (2016). ³¹P NMR spectroscopy - strong interaction between wild bilberry components and cell membranes. Poster-session præsenteret på EUROMAR 2016, Aarhus, Danmark.

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

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Revideret 30.06.2026

Fie Noer Christensen