Aarhus University Seal / Aarhus Universitets segl

Thomas Vosegaard

  1. 2020
  2. Published

    Core Scientific Dataset Model: A lightweight and portable model and file format for multi-dimensional scientific data. / Srivastava, Deepansh; Vosegaard, Thomas; Massiot, Dominique; Grandinetti, Philip J.

    In: PLOS ONE, Vol. 15, No. 1, e0225953, 2020.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  3. Published

    Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei. / Sørensen, Jens Jakob Winther H; Nyemann, Jacob Søgaard; Motzoi, Felix; Sherson, Jacob; Vosegaard, Thomas.

    In: Journal of Chemical Physics, Vol. 152, No. 5, 054104, 2020.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  4. Published

    Versatile NMR simulations using SIMPSON. / Juhl, Dennis Wilkens; Tosner, Zdenek; Vosegaard, Thomas.

    In: Annual Reports on N M R Spectroscopy, Vol. 100, No. Chapter One, 2020, p. 1-59.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  5. 2019
  6. Published

    Reduced TCA cycle rates at high hydrostatic pressure hinder hydrocarbon degradation and obligate oil degraders in natural, deep-sea microbial communities. / Scoma, Alberto; Heyer, Robert; Rifai, Ridwan; Dandyk, Christian; Marshall, Ian; Kerckhof, Frederiek Maarten; Marietou, Angeliki; Boshker, Henricus T.S.; Meysman, Filip J.R.; Malmos, Kirsten G.; Vosegaard, Thomas; Vermeir, Pieter; Banat, Ibrahim M.; Benndorf, Dirk; Boon, Nico.

    In: ISME Journal, Vol. 13, No. 4, 04.2019, p. 1004-1018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  7. Published

    Analytical Evaluation of Low-Field 31P NMR Spectroscopy for Lipid Analysis. / Gouilleux, Boris; Christensen, Nichlas Vous; Malmos, Kirsten G.; Vosegaard, Thomas.

    In: Analytical Chemistry, Vol. 91, No. 4, 02.2019, p. 3035-3042.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  8. Published

    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). / Vinding, Mads S.; Guérin, Bastien; Vosegaard, Thomas; Chr. Nielsen, Niels.

    In: Magnetic Resonance in Medicine, Vol. 81, No. 3, 28.01.2019, p. 2195-2195.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  9. Published

    Single-Spin Vector Analysis of Strongly Coupled Nuclei in TOCSY NMR Experiments. / Nielsen, Anders Bodholt; Hansen, Michael Ryan; Andersen, Jørgen Ellegaard; Vosegaard, Thomas.

    In: Journal of Chemical Physics, Vol. 151, No. 13, 134117, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  10. 2018
  11. Published

    Structure of phospholipid mixed micelles (Bicelles) studied by small-angle X-ray scattering. / Mortensen, Henriette G.; Jensen, Grethe V.; Hansen, Sara K.; Vosegaard, Thomas; Pedersen, Jan Skov.

    In: Langmuir, Vol. 34, No. 48, 01.11.2018, p. 14597-14607.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  12. Published

    Quantification of Ammonium Phosphatide Emulsifiers in Chocolate Using 31P NMR Spectroscopy. / Malmos, Kirsten; Gouilleux, Boris Alban; Sønderskov, Patrick ; Andersen, Tommy; Frambøl, Jens Viggo; Vosegaard, Thomas.

    In: Journal of Agricultural and Food Chemistry, Vol. 66, No. 39, 03.10.2018, p. 10309–10316.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  13. Published

    Fast Wide‐Line Solid‐State NMR on a Low‐Cost Benchtop Spectrometer. / Sørensen, Morten Kjærulff; M. Balsgart, Nicolas; Jensen, Ole; Nielsen, Niels Christian; Vosegaard, Thomas.

    In: ChemPhysChem, Vol. 19, No. 22, 23.09.2018, p. 2985-2988.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  14. Published

    Metabolite Profiling of Social Spiders (Stegodyphus dumicola) along a Climate Gradient. / Sandfeld, Tobias; Wurster, Martina ; Malmos, Kirsten; Bechsgaard, Jesper Smærup; Lalk, Michael; Vosegaard, Thomas; Bilde, Trine; Schramm, Andreas.

    2018. Poster session presented at 17th International Symposium on Microbial Ecology, Leipzig, Germany.

    Research output: Contribution to conferencePosterResearch

  15. Published

    Fast simulations of multidimensional NMR spectra of proteins and peptides. / Vosegaard, Thomas.

    In: Magnetic Resonance in Chemistry, Vol. 56, No. 6, 24.05.2018, p. 438-448.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  16. Published

    iSpec : A Web-Based Activity for Spectroscopy Teaching. / Vosegaard, Thomas.

    In: Journal of Chemical Education, Vol. 95, No. 1, 2018, p. 90-103.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  17. 2017
  18. Published

    Myoglobin and α-Lactalbumin Form Smaller Complexes with the Biosurfactant Rhamnolipid Than with SDS. / Mortensen, Henriette Gavlshøj; Madsen, Jens Kvist; Andersen, Kell K; Vosegaard, Thomas; Deen, G Roshan; Otzen, Daniel E; Pedersen, Jan Skov.

    In: Biophysical Journal, Vol. 113, No. 12, 19.12.2017, p. 2621-2633.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  19. Published

    Correction to: How glycosaminoglycans promote fibrillation of salmon calcitonin. / Malmos, Kirsten Gade; Bjerring, Morten; Jessen, Christian Moestrup; Nielsen, Erik Holm Toustrup; Poulsen, Ebbe T; Christiansen, Gunna; Vosegaard, Thomas; Skrydstrup, Troels; Enghild, Jan J; Pedersen, Jan Skov; Otzen, Daniel E.

    In: Journal of Biological Chemistry, Vol. 292, No. 38, 22.09.2017, p. 15992.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  20. Published

    Applications of nuclear magnetic resonance in lipid analyses: An emerging powerful tool for lipidomics studies. / Li, Jingbo; Vosegaard, Thomas; Guo, Zheng.

    In: Progress in Lipid Research, Vol. 68, 11.09.2017, p. 37-56.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  21. Published

    Epoxy Matrices Modified by Green Additives for Recyclable Materials. / Henriksen, Martin L.; Ravnsbæk, Jens B.; Bjerring, Morten; Vosegaard, Thomas; Daasbjerg, Kim; Hinge, Mogens.

    In: ChemSusChem (Print), Vol. 10, No. 14, 21.07.2017, p. 2936-2944.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  22. Published

    How a short pore forming peptide spans the lipid membrane. / Vestergaard, Mikkel; Christensen, Mikkel; Hansen, Sara K.; Gronvall, Dennis; Kjolbye, Lisbeth R.; Vosegaard, Thomas; Schiott, Birgit.

    In: Biointerphases, Vol. 12, No. 2, 02D405, 06.2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  23. Published

    Application of the limited-memory quasi-Newton algorithm for multi-dimensional, large flip-angle RF pulses at 7T. / Vinding, Mads Sloth; Brenner, Daniel; Tse, Desmond H. Y.; Vellmer, Sebastian; Vosegaard, Thomas; Suter, Dieter; Stöcker, Tony; Maximov, Ivan.

    In: Magnetic Resonance Materials in Physics, Biology and Medicine, Vol. 30, No. 1, 02.2017, p. 29-39.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  24. Published

    Local SAR, global SAR, and power-constrained large-flip- angle pulses with optimal control and virtual observation points. / Vinding, Mads Sloth; Guérin, Bastien; Vosegaard, Thomas; Nielsen, Niels Christian.

    In: Magnetic Resonance in Medicine, Vol. 77, No. 1, 01.2017, p. 374–384.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  25. Published

    A general theoretical description of the influence of isotropic chemical shift in dipolar recoupling experiments for solid-state NMR. / Shankar, Ravi; Ernst, Matthias; Madhu, P. K.; Vosegaard, Thomas; Nielsen, Niels Christian; Nielsen, Anders B.

    In: Journal of Chemical Physics, Vol. 146, No. 13, 134105, 2017.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  26. Published

    Synthesis of ent-BE-43547A1 reveals a potent hypoxia-selective anticancer agent and uncovers the biosynthetic origin of the APD-CLD natural products. / Villadsen, Nikolaj Lilholm; Jacobsen, Kristian Mark; Keiding, Ulrik; Weibel, Esben Thybo; Christiansen, Bjørn; Vosegaard, Thomas; Bjerring, Morten; Jensen, Frank; Johannsen, Mogens; Tørring, Thomas; Poulsen, Thomas.

    In: Nature Chemistry, Vol. 9, 2017, p. 264-272.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  27. 2016
  28. Published

    How Glycosaminoglycans Promote Fibrillation of Salmon Calcitonin. / Malmos, Kirsten G; Bjerring, Morten; Jessen, Christian Moestrup; Nielsen, Erik Holm Toustrup; Poulsen, Ebbe Toftgaard; Christiansen, Gunna; Vosegaard, Thomas; Skrydstrup, Troels; Enghild, Jan J; Pedersen, Jan Skov; Otzen, Daniel E.

    In: Journal of Biological Chemistry, Vol. 291, No. 32, 05.08.2016, p. 16849-16862.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  29. Published

    A Simple Low-Cost Single-Crystal NMR Setup. / Vinding, Mads Sloth; Kessler, Tommy Ole; Vosegaard, Thomas.

    In: Journal of Magnetic Resonance, Vol. 269, 08.2016, p. 120-127.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  30. Published

    31P NMR spectroscopy - strong interaction between wild bilberry components and cell membranes. / Yde, Christian Clement; Verstraeten, Sandra V.; Vosegaard, Thomas.

    2016. Poster session presented at EUROMAR 2016, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  31. Published

    A Single-Crystal NMR Kit for Your Existing NMR Probe. / Vinding, Mads Sloth; Kessler, Tommy Ole; Vosegaard, Thomas.

    2016. Poster session presented at EUROMAR 2016, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  32. Published

    Brain stem zoomed echo planar imaging with optimal control parallel transmit at 7T. / Vinding, Mads Sloth; Brenner, Daniel; Tse, Desmond H. Y.; Vellmer, Sebastian; Vosegaard, Thomas; Suter, Dieter; Stöcker, Tony; Maximov, Ivan.

    2016. Abstract from EUROMAR 2016, Aarhus, Denmark.

    Research output: Contribution to conferenceConference abstract for conferenceResearchpeer-review

  33. Published

    Handling the influence of chemical shift in amplitude-modulated heteronuclear dipolar recoupling solid-state NMR. / Basse, Kristoffer; Shankar, Ravi; Bjerring, Morten; Vosegaard, Thomas; Nielsen, Niels Christian; Nielsen, Anders Bodholt.

    In: Journal of Chemical Physics, Vol. 145, No. 9, 094202, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  34. Published

    High Throughput Identification and Quantification of Phospholipids in Complex Mixtures. / Balsgart, Nicholas Mcleod; Mulbjerg, Mette; Guo, Zheng; Bertelsen, Kresten; Vosegaard, Thomas.

    In: Analytical Chemistry, Vol. 88, No. 4, 2016, p. 2170-2176.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  35. Published

    Improved transfer efficiencies in radio-frequency-driven recoupling solid-state NMR by adiabatic sweep through the dipolar recoupling condition. / Straasø, Lasse Arnt; Shankar, Ravi; Tan, Kong Ooi; Hellwagner, Johannes; Meier, Beat H.; Hansen, Michael Ryan; Nielsen, Niels Christian; Vosegaard, Thomas; Ernst, Matthias; Nielsen, Anders Bodholt.

    In: The Journal of Chemical Physics, Vol. 145, No. 3, 034201, 2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  36. Published

    Optimal control to design pulses providing high SNR and sharp resolution in geophysical surface NMR. / Grombacher, Denys James; Vinding, Mads Sloth; Vosegaard, Thomas; Auken, Esben.

    2016. Poster session presented at EUROMAR 2016, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  37. Published

    Reduced field of view diffusion imaging at 7T using the “blOCh” pulse design package. / Brenner, Daniel; Vinding, Mads Sloth; Tse, Desmond H. Y.; Vellmer, Sebastian; Vosegaard, Thomas; Suter, Dieter; Stöcker, Tony; Maximov, Ivan.

    2016. Poster session presented at EUROMAR 2016, Aarhus, Denmark.

    Research output: Contribution to conferencePosterResearch

  38. 2015
  39. Published

    Bicelles and Other Membrane Mimics: Comparison of Structure, Properties, and Dynamics from MD Simulations. / Vestergaard, Mikkel; Kraft, Johan Frederik; Vosegaard, Thomas; Thøgersen, Lea; Schiøtt, Birgit.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 119, No. 52, 26.11.2015, p. 15831-15843.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  40. Published

    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. / Frahm, Heidi; Hansen, Sara K; Vad, Brian S; Nielsen, Erik H; Nielsen, Jakob T; Vosegaard, Thomas; Skrydstrup, Troels; Otzen, Daniel E.

    In: B B A - Proteins and Proteomics, Vol. 1854, No. 8, 08.2015, p. 882-889.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  41. Published

    A Cross-Polarization Based Rotating-Frame Separated-Local-Field NMR Experiment Under Ultrafast MAS Conditions. / Zhang, Rungchun; Damron, Joshua; Vosegaard, Thomas; Ramamoorthy, Ayyalusamy.

    In: Journal of Magnetic Resonance, Vol. 250, 2015, p. 37-44.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  42. Published

    Solid-State NMR Methods for Oriented Membrane Proteins. / Hansen, Sara Krogh; Bertelsen, Kresten; Jensen, Berit Paaske; Nielsen, Niels Christian; Vosegaard, Thomas.

    In: Progress in Nuclear Magnetic Resonance Spectroscopy, Vol. 88-89, 2015, p. 48-85.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperReviewResearchpeer-review

  43. Published

    jsNMR: An Embedded Platform-Independent NMR Spectrum Viewer. / Vosegaard, Thomas.

    In: Magnetic Resonance in Chemistry, Vol. 53, No. 4, 2015, p. 285-290.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  44. 2014
  45. Published

    Computer-intensive simulation of solid-state NMR experiments using SIMPSON. / Tosner, Zdenek; Andersen, Rasmus; Stevensson, Baltzar; Edén, Mattias; Nielsen, Niels Christian; Vosegaard, Thomas.

    In: Journal of Magnetic Resonance, Vol. 246, 2014, p. 79-93.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  46. Published

    Lipid Dynamics Studied by Calculation of 31P Solid-State NMR Spectra Using Ensembles from Molecular Dynamics Simulations. / Hansen, Sara Krogh; Vestergaard, Mikkel; Thøgersen, Lea; Schiøtt, Birgit; Nielsen, Niels Christian; Vosegaard, Thomas.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 118, No. 19, 2014, p. 5119-5129.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  47. Published

    NMR Investigations of the Structure and Dynamics of Antimicrobial Peptides: The Peptaibol Alamethicin. / Vosegaard, Thomas; Nielsen, Niels Christian.

    Advances in Biological Solid-State NMR: Proteins and Membrane-Active Peptides. ed. / F. Separovic; A. Naito. Royal Society of Chemistry, 2014. p. 267-286.

    Research output: Contribution to book/anthology/report/proceedingBook chapterResearchpeer-review

  48. 2012
  49. Published

    Cyclodextrin-Scaffolded Alamethicin with Remarkably Efficient Membrane Permeabilizing Properties and Membrane Current Conductance. / Hjørringgaard, Claudia Ulrich; Vad, Brian Stougaard; Matchkov, Vladimir; Nielsen, Søren Bang; Vosegaard, Thomas; Nielsen, Niels Christian; Otzen, Daniel; Skrydstrup, Troels.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 116, No. 26, 05.07.2012, p. 7652-7659.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  50. Published

    Fast Forward Maximum Entropy Reconstruction of Sparsely Sampled Data. / Balsgart, Nicholas Mcleod; Vosegaard, Thomas.

    In: Journal of Magnetic Resonance, Vol. 223, 2012, p. 164.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  51. Published

    Mechanisms of Peptide-Induced Pore Formation in Lipid Bilayers Investigated by Oriented 31P Solid-State NMR Spectroscopy. / Bertelsen, Kresten; Dorosz, Jerzy; Hansen, Sara Krogh; Nielsen, Niels Christian; Vosegaard, Thomas.

    In: P L o S One, Vol. 7, No. 10, 2012.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  52. 2011
  53. Published

    Long-term-stable ether-lipid vs conventional ester-lipid bicelles in oriented solid-state NMR : altered structural information in studies of antimicrobial peptides. / Bertelsen, Kresten; Vad, Brian; Nielsen, Erik Holm Toustrup; Hansen, Sara K; Skrydstrup, Troels; Otzen, Daniel; Vosegaard, Thomas; Nielsen, Niels Christian.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 115, No. 8, 2011, p. 1767-1774.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  54. 2010
  55. Published

    Cyclodextrin scaffolded alamethicin with highly efficient channel-forming properties. / Hjørringgaard, Claudia Ulrich; Vad, Brian; Nielsen, Søren Bang; Matchkov, Vladimir; Vosegaard, Thomas; Nielsen, Niels Christian; Otzen, Daniel; Skrydstrup, Troels.

    In: Journal of Peptide Science, Vol. 16, 09.2010, p. 148.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  56. Published

    Challenges in Numerical Simulations of Solid-State NMR Experiments: Spin Exchange Pulse Sequences. / Vosegaard, Thomas.

    In: Solid State Nuclear Magnetic Resonance, Vol. 38, 2010.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  57. Published

    Cyclodextrin Scaffolded Alamethicin with Highly Efficient Channel-forming Properties. / Hjørringgaard, Claudia Ulrich; Vad, Brian Stougaard; Matchkov, Vladimir; Nielsen, Søren Bang; Vosegaard, Thomas; Nielsen, Niels Christian; Otzen, Daniel; Skrydstrup, Troels.

    2010. Poster session presented at 31st European Peptide Symposium, 31EPS, Copenhagen, Denmark.

    Research output: Contribution to conferencePosterResearch

  58. Published

    Divorcing folding from function: how acylation affects the membrane-perturbing properties of an antimicrobial peptide. / Vad, Brian Stougaard; Thomsen, Line Aagot Hede; Bertelsen, Kresten; Franzmann, Magnus; Pedersen, Jan Mondrup; Nielsen, Søren Bang; Vosegaard, Thomas; Valnickova, Zuzana; Skrydstrup, Troels; Enghild, Jan J.; Wimmer, Reinhard; Nielsen, Niels Christian; Otzen, Daniel.

    In: B B A - Proteins and Proteomics, Vol. 1804, No. 4, 2010, p. 806-20.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  59. Published

    Neurite density from magnetic resonance diffusion measurements at ultrahigh field: comparison with light microscopy and electron microscopy. / Jespersen, Sune Nørhøj; Bjarkam, Carsten Reidies; Nyengaard, Jens Randel; Mallar, Chakravarty; Hansen, Brian; Vosegaard, Thomas; Østergaard, Leif; Yablonskiy, DA; Nielsen, Niels Christian; Vestergaard-Poulsen, Peter.

    In: NeuroImage, Vol. 49, No. 1, 2010, p. 205-16.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  60. Published

    Numerical Simulations in Solid-State NMR with SIMPSON. / Vosegaard, Thomas; Tosner, Zdenek; Nielsen, Niels Christian.

    Encyclopedia of Magnetic Resonance. Wiley, 2010.

    Research output: Contribution to book/anthology/report/proceedingBook chapterResearchpeer-review

  61. Published

    Numerical Simulations in Solid-State NMR with SIMPSON. / Vosegaard, Thomas; Tosner, Zdenek; Nielsen, Niels Christian.

    Solid-State NMR of Biopolymers. ed. / McDermott A.E.; T. Polenova. John Wiley & Sons Ltd, 2010. p. 377-394.

    Research output: Contribution to book/anthology/report/proceedingBook chapterResearchpeer-review

  62. 2009
  63. Published

    A dynamic View on Membrane-Bound Peptides by Combined 15N and 2H Oriented-Sample Solid-State NMR. / Bertelsen, Kresten; Jensen, Berit Paaske; Nielsen, Niels Christian; Vosegaard, Thomas.

    2009. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, CA, United States.

    Research output: Contribution to conferencePosterResearch

  64. Published

    An Automatic Solid-Phase Synthesis of Peptaibols. / Hjørringgaard, Claudia Ulrich; Pedersen, Jan Mondrup; Vosegaard, Thomas; Nielsen, Niels Christian; Skrydstrup, Troels.

    2009. Abstract from 2nd Modern Solid Phase Peptide Synthesis & Its Applications Symposium, Gold Coast, Australia.

    Research output: Contribution to conferenceConference abstract for conferenceResearchpeer-review

  65. Published

    An automatic solid-phase synthesis of peptaibols. / Hjørringgaard, Claudia Ulrich; Pedersen, Jan Mondrup; Vosegaard, Thomas; Nielsen, Niels Christian; Skrydstrup, Troels.

    In: Journal of Organic Chemistry, Vol. 74, 2009, p. 1329–1332.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  66. Published

    Defining the Sampling Space in Multidimensional NMR Experiments: What should the Maximum Sampling Time Be? / Vosegaard, Thomas; Nielsen, Niels Christian.

    2009. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, United States.

    Research output: Contribution to conferencePosterResearch

  67. Published

    Defining the sampling space in multidimensional NMR experiments: What should the maximum sampling time be? / Vosegaard, Thomas; Nielsen, Niels Christian.

    In: Journal of Magnetic Resonance, Vol. 199, No. 2, 2009, p. 146-158.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  68. Published

    Incorporation of Antimicrobial Peptides into Membranes : A Combined Liquid-State NMR and Molecular Dynamics Study of Alamethicin in DMPC/DHPC Bicelles. / Dittmer, Jens; Thøgersen, Lea; Underhaug, Jarl; Bertelsen, Kresten; Vosegaard, Thomas; Pedersen, Jan Mondrup; Schiøtt, Hanne Birgit; Tajkhorshid, Emad; Skrydstrup, Troels; Nielsen, Niels Christian.

    In: Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, Vol. 113, No. 19, 2009, p. 6928-6937.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  69. Published

    Optimal Control in NMR Spectroscopy: Implementation into SIMPSON and Novel Experiments for Biological Solid-State NMR. / Kehlet, Cindie; Tosner, Zdenek; Nielsen, Anders Bodholt; Bjerring, Morten; Nielsen, Jakob Toudahl; Vinding, Mads Sloth; Vosegaard, Thomas; Glaser, Steffen J.; Khaneja, Navin; Nielsen, Niels Christian.

    2009. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, CA, United States.

    Research output: Contribution to conferencePosterResearch

  70. Published

    Optimal control in NMR spectroscopy: Numerical implementation in SIMPSON. / Tosner, Zdenek; Vosegaard, Thomas; Kehlet, Cindie; Khaneja, Navin; Glaser, Steffen; Nielsen, Niels Christian.

    In: Journal of Magnetic Resonance, Vol. 197, 2009, p. 120-134.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  71. Published

    Residue-Specific Information about the Dynamics of Antimicrobial Peptides from 1H−15N and 2H Solid-State NMR Spectroscopy. / Bertelsen, Kresten; Jensen, Berit Paaske; Thøgersen, Lea; Tajkhorshid, Emad; Schiøtt, Hanne Birgit; Skrydstrup, Troels; Nielsen, Niels Christian; Vosegaard, Thomas.

    In: Journal of the American Chemical Society, Vol. 131, No. 51, 2009, p. 18335–18342.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  72. Published

    Unique Identification of Supramolecular Structures in Amyloid Fibrils by Solid-State NMR. / Nielsen, Jakob Toudahl; Bjerring, Morten; Jeppesen, Martin; Pedersen, Ronnie Overgaard; Pedersen, Jan Mondrup; Hein, Kim Langmach; Vosegaard, Thomas; Skrydstrup, Troels; Otzen, Daniel; Nielsen, Niels Christian.

    2009. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, CA, United States.

    Research output: Contribution to conferencePosterResearch

  73. Published

    Unique identification of supramolecular structures in amyloid fibrils by solid-state NMR spectroscopy. / Nielsen, Jakob Toudahl; Bjerring, Morten; Jeppesen, Martin; Pedersen, Ronnie O.; Pedersen, Jan Mondrup; Hein, Kim Langmach; Vosegaard, Thomas; Skrydstrup, Troels; Otzen, Daniel; Nielsen, Niels Christian.

    In: Angewandte Chemie International Edition, Vol. 48, 2009, p. 2118-2121.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  74. 2008
  75. Published

    A Highly Time-saving and Efficient Automatic Solid Phase Synthesis of Peptaibols. / Hjørringgaard, Claudia Ulrich; Pedersen, Jan Mondrup; Vosegaard, Thomas; Nielsen, Niels Christian; Skrydstrup, Troels.

    2008. Poster session presented at iNANO Autumn School, Fuglsø Centret, Denmark.

    Research output: Contribution to conferencePosterResearch

  76. Published

    A Highly Time-saving and Efficient Automatic Solid Phase Synthesis of Peptaibols. / Hjørringgaard, Claudia Ulrich; Pedersen, Jan Mondrup; Vosegaard, Thomas; Nielsen, Niels Christian; Skrydstrup, Troels.

    2008. Poster session presented at Organic Chemistry and Scientific Presentation Techniques. OCHEM SCHOOL, Sandbjerg, Denmark.

    Research output: Contribution to conferencePosterResearch

  77. Published

    Helix conformations in 7TM membrane proteins determined using oriented-sample solid-state NMR with multiple residue-specific 15N labeling. / Vosegaard, Thomas; Kamihira-Ishijima, Miya; Watts, Anthony; Nielsen, Niels Christian.

    In: Biophysical Journal, Vol. 94, 2008, p. 241-250.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  78. Published

    Peptide Aggregation and Pore Formation in a Lipid Bilayer : A Combined Coarse-Grained and All Atom Molecular Dynamics Study. / Thøgersen, Lea; Schiøtt, Birgit; Vosegaard, Thomas; Nielsen, Niels Chr.; Tajkhorshid, Emad.

    In: Biophysical Journal, Vol. 95, No. 9, 2008, p. 4337-4347.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  79. Published

    Resolution Enhancement in Solid-State NMR of Oriented Membrane Proteins by Anisotropic Differential Linebroadening. / Vosegaard, Thomas; Bertelsen, Kresten; Pedersen, Jan Mondrup; Thøgersen, Lea; Schiøtt, Birgit; Tajkhorshid, Emad; Skrydstrup, Troels; Nielsen, Niels Christian.

    In: Journal of the American Chemical Society, Vol. 130, 2008, p. 5028-5029.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  80. 2007
  81. Published

    2D separated-local field spectra from projections of 1D experiments. / Bertelsen, Kresten; Pedersen, Jan Mondrup; Nielsen, Niels Christian; Vosegaard, Thomas.

    In: Journal of Magnetic Resonance, Vol. 184, 2007, p. 330-6.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  82. Published

    Helix Conformations in 7TM Membrane Protein Determined using Oriented Sample Solid-State NMR. / Nielsen, Niels Christian; Vosegaard, Thomas; Ishijima, Miya Kamihira; Watts, Anthony.

    In: Biophysical Journal, Vol. 94, 2007, p. 241-250.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  83. Published

    High-resolution two-dimensional NMR spectra of half-integer-spin quadrupolar nuclei from one-dimensional projections. / Vosegaard, Thomas; Massiot, Dominique.

    In: Chemical Physics Letters, Vol. 437, 2007, p. 120-125.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  84. Published

    Membrane-bound conformation of peptaibols with methyl-deuterated a-amino isobutyric acids by 2H solid-state NMR spectroscopy. / Bertelsen, Kresten; Pedersen, Jan Mondrup; Rasmussen, Brian Schou; Skrydstrup, Troels; Nielsen, Niels Christian; Vosegaard, Thomas.

    In: Journal of the American Chemical Society, Vol. 129, 2007, p. 14717-14723.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  85. Published

    Optimal control based design of composite dipolar recoupling experiments by analogy to single-spin inversion pulses. / Hansen, Jonas Ørbæk; Kehlet, Cindie; Bjerring, Morten; Vosegaard, Thomas; Glaser, Steffen; Khaneja, Navin; Nielsen, Niels Christian.

    In: Chemical Physics Letters, Vol. 447, 2007, p. 154-161.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  86. 2006
  87. Published

    Analytical and Numerical Tools for Experiment Design in Solid-State NMR Spectroscopy. / Nielsen, Niels Christian; Vosegaard, Thomas; Malmendal, Anders.

    Handbook of Modern Magnetic Resonance. 2006.

    Research output: Contribution to book/anthology/report/proceedingBook chapterResearch

  88. 2005
  89. Published

    Improved excitation schemes for multiple-quantum magic-angle spinning for quadrupolar nuclei designed using optimal control theory. / Vosegaard, Thomas; Kehlet, C.T.; Khaneja, N.; Glaser, S.J.; Nielsen, Niels Christian.

    In: Journal of the American Chemical Society, Vol. 127, 2005, p. 13768-13769.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  90. Published

    Low-power homonuclear dipolar recoupling in solid-state NMR developed using optimal control theory. / Kehlet, C.T.; Vosegaard, Thomas; Khaneja, N.; Glaser, S.J.; Nielsen, Niels Christian.

    In: Chemical Physics Letters, Vol. 414, 2005, p. 204-209.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  91. Published

    Numerical Simulations in Biological Solid-State NMR Spectroscopy. / Sivertsen, A.C.; Bjerring, M.; Kehlet, C.T.; Vosegaard, T.; Nielsen, N.C.

    In: Ann. R. NMR. S., Vol. 54, 2005, p. 243-293.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  92. Published

    Structural and orientational constraints of bacteriorhodopsin in purple membranes determined by oriented-sample solid-state NMR spectroscopy. / Kamihira, M.; Vosegaard, T.; Mason, A.J.; Straus, S.K.; Nielsen, N.C.; Watts, A.

    In: J. Struct. Biol., Vol. 149, 2005, p. 7-16.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  93. 2004
  94. Published

    11B Chemical Shift Anisotropies in Borates from 11B MAS, MQMAS, and Single-Crystal NMR Spectroscopy. / Hansen, M.R.; Vosegaard, T.; Jakobsen, H.J.; Skibsted, J.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 108, 2004, p. 586-594.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  95. Published

    Improved pulse sequences for pure exchange solid-state NMR spectroscopy. / Vosegaard, T.; Nielsen, N.C.

    In: Magn. Reson. Chem., Vol. 42, No. 2, 2004, p. 285-290.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  96. Published

    Techniques and Applications of NMR to Membrane Proteins. / Nielsen, N.C.; Malmendal, A.; Vosegaard, T.

    In: Mol. Membr. Biol., Vol. 21, 2004, p. 129-141.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  97. 2003
  98. Published

    77Se and 87Rb solid state NMR study of the structure of Rb2[Pd(Se4)2].Se8. / Goldbach, A.; Fayon, F.; Vosegaard, Thomas; Wachhold, M.; Kanatzidis, M.G.; Massiot, D.; Saboungi, M.-L.

    In: Inorg. Chem., Vol. 42, 2003, p. 6996-7000.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  99. Published

    Methodological development of solid-state NMR for characterization of membrane proteins. / Bjerring, Morten; Vosegaard, Thomas; Malmendal, Anders; Nielsen, Niels Christian.

    In: Concepts Magn. Reson., Vol. 18A, 2003, p. 111-129.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  100. 2002
  101. Published

    Specification and visualization of anisotropic interaction tensors for numerical simulation of solid-state NMR experiments on polypeptide structures. / Bak, M.; Schultz, R.; Vosegaard, Thomas; Nielsen, Niels Christian.

    In: Journal of Magnetic Resonance, Vol. 154, 2002.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  102. Published

    The flexibility of SIMPSON and SIMMOL for numerical simulations in solid- and liquid-state NMR spectroscopy. / Vosegaard, Thomas; Malmendal, Anders; Nielsen, Niels Christian.

    In: Chem. Monthly, Vol. 133, 2002, p. 1555-1574.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  103. Published

    Towards high-resolution solid-state NMR on large uniformly 15N- and [13C, 15N]-labeled membrane proteins in oriented lipid bilayers. / Vosegaard, Thomas; Nielsen, Niels Christian.

    In: J. Biomol. NMR, Vol. 22, 2002, p. 225-247.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  104. 2001
  105. Published

    Multiple-quantum magic-angle spinning using rotary resonance excitation. / Vosegaard, Thomas; Florian, P.; Massiot, M.; Grandinetti, P.H.

    In: Journal of Chemical Physics, Vol. 114, 2001, p. 4618-4624.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  106. 2000
  107. Published

    A new rubidium zinc hydrogenphosphate, Rb2Zn2(HPO4)3: Synthesis, crystal structure, and 31P single-crystal NMR. / Jensen, T.R.; Hazell, Rita Grønbæk; Vosegaard, Thomas; Jakobsen, Hans Jørgen.

    In: Inorg. Chem., Vol. 39, 2000, p. 2026-2032.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  108. Published

    Pure absorption-mode spectra using a modulated RF mixing period in MQMAS experiments. / Vosegaard, Thomas; Florian, P.; Grandinetti, P.J.; Massiot, D.

    In: Journal of Magnetic Resonance, Vol. 143, 2000, p. 217-222.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  109. Published

    Sensitivity enhancements in MQ-MAS NMR of spin-5/2 nuclei using modulated RF mixing pulses. / Vosegaard, Thomas; Massiot, D; Grandinetti, P.J.

    In: Chemical Physics Letters, Vol. 326, 2000, p. 454-460.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  110. Published

    Small crystals and small coils in variable temperature single-crystal NMR. / Vosegaard, Thomas; Christensen, Preben Daugård; Hald, Eigil; Jakobsen, Hans Jørgen.

    In: Journal of Magnetic Resonance, Vol. 142, 2000, p. 379-381.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  111. 1999
  112. Published

    71Ga NMR of reference GaIV, GaV, and GaVI compounds by MAS and QPASS, extension of gallium/aluminum NMR parameter correlation. / Massiot, D; Vosegaard, T; Magneron, N; Trumeau, D; Montouillout, V; Berthet, P; Loiseau, T; Bujoli, B.

    In: Solid State Nuclear Magnetic Resonance, Vol. 15, No. 3, 12.1999, p. 159-169.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  113. Published

    A two-axis goniometer for sensitivity enhancement in single-crystal nuclear magnetic resonance spectroscopy. / Vosegaard, Thomas; Hald, Eigil; Christensen, Preben Daugård; Jakobsen, Hans J.

    In: Review of Scientific Instruments, Vol. 70, No. 3, 1999, p. 1771-1779.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  114. Published

    Characterization of Mo(CO)6 by 95Mo Single-Crystal NMR Spectroscopy. / Vosegaard, Thomas; Skibsted, Jørgen; Jakobsen, Hans J.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 103, No. 45, 1999, p. 9144-9149.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  115. Published

    Improved 67Zn Solid-State NMR from Single-Crystals. Zn(CH3COO)2.2H2O. / Vosegaard, T.; Andersen, U.; Jakobsen, Hans Jørgen.

    In: Journal of the American Chemical Society, Vol. 121, 1999, p. 1970-1971.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  116. Published

    Solid-state 87Rb NMR of RbVO3. A comparison of experiments for retrieving chemical shielding and quadrupole coupling tensorial interactions. / Vosegaard, Thomas; Skibsted, Jørgen; Bildsøe, Henrik; Jakobsen, Hans J.

    In: Solid State Nuclear Magnetic Resonance, Vol. 14, No. 3-4, 1999, p. 203-210.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  117. 1998
  118. Published

    Crystal Structure Studies by Single-Crystal NMR Spectroscopy. 71Ga and 69Ga Single-Crystal NMR of β-Ga2O3 Twins. / Vosegaard, Thomas; Byriel, Inger P.; Binet, Laurent; Massiot, Dominique; Jakobsen, Hans J.

    In: Journal of the American Chemical Society, Vol. 120, No. 32, 1998, p. 8184-8188.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  119. Published

    Crystal Structure Studies on the Garnet Y3Al5O12 by 27Al Single-Crystal NMR Spectroscopy. / Vosegaard, Thomas; Byriel, Inger P.; Pawlak, Dorota A.; Wozniak, Krzysztof; Jakobsen, Hans J.

    In: Journal of the American Chemical Society, Vol. 120, No. 31, 1998, p. 7900-7904.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  120. Published

    Improved Hardware and Software for Single-Crystal NMR Spectroscopy. / Vosegaard, Thomas; Hald, Eigil; Langer, Vagn; Skov, Hans J.; Christensen, Preben Daugård; Bildsøe, Henrik; Jakobsen, Hans J.

    In: Journal of Magnetic Resonance, Vol. 135, No. 1, 1998, p. 126-132.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  121. 1997
  122. Published

    71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR. / Vosegaard, Thomas; Massiot, Dominique; Gautier, Nathalie; Jakobsen, Hans J.

    In: Inorganic Chemistry, Vol. 36, No. 11, 1997, p. 2446-2450.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  123. Published

    27Al Chemical Shielding Anisotropy. / Vosegaard, Thomas; Jakobsen, Hans J.

    In: Journal of Magnetic Resonance, Vol. 128, No. 2, 1997, p. 135-137.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

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