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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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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

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

Vigna, E. & Skibsted, J. (2015). Optimization of alkali activated Portland cement – calcined clay blends based on the phase assemblage in the Na₂O-CaO-Al₂O₃-SiO₂-H₂O system. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 101-107). Springer. https://doi.org/10.1007/978-94-017-9939-3_13

Vestergaard-Poulsen, P., Wegener, G., Hansen, B., Bjarkam, C. R., Blackband, S. J., Nielsen, N. C. & Jespersen, S. N. (2011). Diffusion-weighted MRI and quantitative biophysical modeling of hippocampal neurite loss in chronic stress. P L o S One, 6(7), e20653. https://doi.org/10.1371/journal.pone.0020653

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

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

Vad, B. S., Thomsen, L. A. H., Bertelsen, K., Franzmann, M., Pedersen, J. M., Nielsen, S. B., Vosegaard, T., Valnickova, Z., Skrydstrup, T., Enghild, J. J., Wimmer, R., Nielsen, N. C. & Otzen, D. (2010). Divorcing folding from function: how acylation affects the membrane-perturbing properties of an antimicrobial peptide. B B A - Proteins and Proteomics, 1804(4), 806-20. https://doi.org/10.1016/j.bbapap.2009.12.006

Vad, B. S., Bertelsen, K., Johansen, C. H., Pedersen, J. M., Skrydstrup, T., Nielsen, N. C. & Otzen, D. E. (2010). Pardaxin permeabilizes vesicles more efficiently by pore formation than by disruption. Biophysical Journal, 98(4), 576-85. https://doi.org/10.1016/j.bpj.2009.08.063

Untidt, T., Glaser, S. J., Griesinger, C. & Nielsen, N. C. (1999). Unitary bounds; controllability of quantum evolution in NMR spectroscopy. Mol. Phys., 96, 1739-1744.

Untidt, T., Schulte-Herbrüggen, T., Sørensen, O. W. & Nielsen, N. C. (1999). Optimum α/β-HSQC pulse sequences for coherence-order-; spin-state-selective transfer in I₂S spin systems. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 8921-8926.

Untidt, T. S. & Nielsen, N. C. (2000). Analytical unitary bounds on quantum dynamics: Design of optimum NMR experiments in two-spin-1/2 systems. Journal of Chemical Physics, 113, 8464-8471.

Untidt, T. S. & Nielsen, N. C. (2002). Closed solution to the Baker-Campbell-Hausdorff problem: exact effective Hamiltonian theory for analysis of nuclear-magnetic resonance experiments. Physical Review E, 65(2).

Untidt, T., Schulte-Herbrüggen, T., Luy, B., Glaser, S. J., Griesinger, C., Sørensen, O. W. & Nielsen, N. C. (1998). Design of NMR pulse experiments with optimum sensitivity: coherence-order-selective transfer in I2S and I3S spin systems. Molecular Physics, 95, 787-796.

Underhaug, J., Jakobsen, L. O., Esmann, M., Malmendal, A. & Nielsen, N. C. (2006). NMR studies of the fifth transmembrane segment of Na⁺,K⁺-ATPase reveals a non-helical ion-binding region. FEBS Letters, 580, 4777-4783.

Underhaug, J., Koldsø, H., Runager, K., Nielsen, J. T., Sørensen, C. S., Kristensen, T., Otzen, D., Karring, H., Malmendal, A., Schiøtt, B., Enghild, J. J. & Nielsen, N. C. (2013). Mutation in transforming growth factor beta induced protein associated with granular corneal dystrophy type 1 reduces the proteolytic susceptibility through local structural stabilization. BBA General Subjects, 1834(12), 2812–2822. https://doi.org/10.1016/j.bbapap.2013.10.008

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2009). Site Preferences of Fluoride Guest Ions in the Calcium Silicate Phases of Portland Cement from ²⁹Si{¹⁹F} CP-REDOR NMR Spectroscopy. Journal of the American Chemical Society, 131(40), 14170-14171. https://doi.org/10.1021/ja905223d

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2009). Incorporation of Fluoride Guest-Ions in the Calcium Silicate Phases of Portland Cement: A ¹⁹F, ²⁷Al and ²⁹Si MAS NMR Study. Paper presented at IBAUSIL, Weimar, Germany.

Tran, T. T., Poulsen, S. L., Jansang, B., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2010). Characterization of guest-ion incorporation and site preferences in alite and belite in Portland cements by MAS NMR experiments and Density Functional Theory calculations. Extended Abstracts of the 30th Cement and Concrete Science Conference, Birmingham, September 13 – 15, 2010, England, 93-96.

Tran, T. T., Poulsen, S. L., Jansang, B., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2010). Characterization of Guest-Ion Incorporation and Site Preferences in Alite and Belite in Portland Cement by MAS NMR Experiments and Density Functional Theory Calculations (In russian). Journal Cement, (November-December), 57-59.

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2011). Site Preferences of F^-, Al³⁺ and Fe³⁺ Guest Ions in the Calcium Silicate Phases of Portland cement from Solid-State NMR Spectroscopy. In XIII International Congress on the Chemistry of Cement (ICCC) (Vol. Area 1, p. 13).

Tran, T. T., López, S. A. B., Herfort, D. & Skibsted, J. (2011). Characterization of the Network Structure of Alkali-activated Aluminosilicate Binders by Single- and Double-Resonance ²⁹Si{²⁷Al} MAS NMR Experiments. In 10th International Congress for Applied Mineralogy (ICAM)

Tran, T. T., Herfort, D., Jakobsen, H. J. & Skibsted, J. (2012). Site Preferences of F-, Al3+ and Fe3+ Guest Ions in the Calcium Silicate Phases of Portland cement from Solid-State NMR Spectroscopy (in russian). Cement and its applications, issue 6 for 2011(p. 54-58).

Tran, T. T., Bildsøe, H. K., Jakobsen, H. J. & Skibsted, J. (2012). Double cross-polarization MAS NMR in the assignment of abundant-spin resonances: 19F–{29Si}–19F FBCP/MAS NMR of fluoride ions incorporated in calcium silicate hydrate (C–S–H) phases. Journal of Magnetic Resonance, 221, 19-23.

Tran, T. T. & Skibsted, J. (2012). Structural environments of fluoride ions in C-S-H phases of Portland cement from 19F and 29Si MAS NMR spectroscopy. Paper presented at 18th IBAUSIL, Weimar, Germany.

Tosner, Z., Glaser, S. J., Khaneja, N. & Nielsen, N. C. (2006). Effective hamiltonians by optimal control: solid-state NMR double-quantum and isotropic dipolar recoupling. Journal of Chemical Physics, 125, 184502-1 - 184502-10.

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

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

Tosner, Z., Nielsen, N. C. & Vinding, M. S. (2017). Computational design of NMR pulse sequences. In J. C. Lindon, G. E. Tranter & D. W. Koppenaal (Eds.), Encyclopedia of Spectroscopy and Spectrometry: Encyclopedia of Spectroscopy and Spectrometry (Third Edition) (3rd ed., pp. 341–349). Elsevier. https://doi.org/10.1016/B978-0-12-409547-2.12105-5

Thomsen, R. M., Garzón, S. F., Herfort, D., Skibsted, J. & Yue, Y. (2017). Physical performances of alkali-activated portland cement-glass-limestone blends. Journal of the American Ceramic Society, 100(9), 4159-4172. https://doi.org/10.1111/jace.14955

Thomsen, R. M., Skibsted, J. & Yue, Y. (2018). The Charge-Balancing Role of Calcium and Alkali Ions in Per-Alkaline Aluminosilicate Glasses. Journal of Physical Chemistry B, 122(12), 3184-3195. https://doi.org/10.1021/acs.jpcb.7b12437

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

Thøgersen, H., Nielsen, N. C. & Sørensen, O. W. (1996). A systematic strategy for design of optimum coherent experiments applied to efficient interconversion of double- and single-quantum coherencesin nuclear magnetic resonance. Journal of Chemical Physics, 105, 3962-3968.

Thøgersen, J., Bak, E. N., Finster, K., Nørnberg, P., Jakobsen, H. J. & Knak Jensen, S. J. (2019). Light on windy nights on Mars: A study of saltation-mediated ionization of argon in a Mars-like atmosphere. Icarus, 332, 14-18. https://doi.org/10.1016/j.icarus.2019.06.025

Tamiola, K. & Mulder, F. A. A. (2012). Using NMR chemical shifts to calculate the propensity for structural order and disorder in proteins. Biochemical Society. Transactions, 40(5), 1014-20. https://doi.org/10.1042/BST20120171

Tamiola, K. & Mulder, F. A. A. (2011). ncIDP-assign: a SPARKY extension for the effective NMR assignment of intrinsically disordered proteins. Bioinformatics (Online), 27(7), 1039-40. https://doi.org/10.1093/bioinformatics/btr054

Tamiola, K., Acar, B. & Mulder, F. A. A. (2010). Sequence-specific random coil chemical shifts of intrinsically disordered proteins. Journal of the American Chemical Society, 132(51), 18000-3. https://doi.org/10.1021/ja105656t

Tamiola, K., Scheek, R. M., Van Der Meulen, P. & Mulder, F. A. A. (2018). PepKalc: Scalable and comprehensive calculation of electrostatic interactions in random coil polypeptides. Bioinformatics, 34(12), 2053-2060. https://doi.org/10.1093/bioinformatics/bty033

Taasti, K. I., Christensen, A. N., Norby, P., Hanson, J. C., Lebech, B., Jakobsen, H. J. & Skibsted, J. (2002). Hydrothermal synthesis, single-crystal structure analysis, and solid-state NMR characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). Journal of Solid State Chemistry, 164, 42-50.

Svane, A. S. P., Jahn, K., Deva, T., Malmendal, A., Otzen, D., Dittmer, J. & Nielsen, N. C. (2008). Early Stages of Amyloid Fibril Formation Studied by Liquid-State NMR: The Peptide Hormone Glucagon. Biophysical Journal, 95(1), 366 – 377. https://doi.org/10.1529/biophysj.107.122895

Svane, A. S. P., Sørensen, J., Schiøtt, H. B. & Nielsen, N. C. (2009). Glucagon - A model for amyloid fibril formation. Poster session presented at 7th Annual iNano Symposium, Århus, Denmark.

Svane, A. S. P., Jahn, K., Malmendal, A., Dittmer, J. & Nielsen, N. C. (2009). Studying the Kenitics of Amyloid Formation using Liquid-State NMR: Early Stages of Glucagon Fibril Formation. Poster session presented at 50th Experimental NMR conference (ENC), Asilomar, CA, United States.

Supur, M., Yurtsever, A. & Akbey, Ü. (2015). Remarkable enhancement of ambient-air electrical conductivity of the perylenediimide π-stacks isolated in the flexible films of a hydrogen-bonded polymer. RSC Advances, 5(79), 64240-64246. https://doi.org/10.1039/c5ra12169h

Stropp, J., Wili, N., Nielsen, N. C. & Klose, D. (2025). Increased sensitivity in electron-nuclear double resonance spectroscopy with chirped radiofrequency pulses. Magnetic Resonance, 6(1), 33-42. https://doi.org/10.5194/mr-6-33-2025

Straasø, L. A., Bjerring, M., Khaneja, N. & Nielsen, N. C. (2009). Multiple-oscillating-field techniques for accurate distance measurements by solid-state NMR. Journal of Chemical Physics, 130, 225103-1-225103-14. https://doi.org/10.1063/1.3147010

Straasø, L. A., Bjerring, M., Khaneja, N. & Nielsen, N. C. (2009). Four-Oscillating-Fiels Technique for Accurate Distance Measurement by Solid-State NMR. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, CA, United States.

Straasø, L. A. & Nielsen, N. C. (2010). Recoupling of native homonuclear dipolar couplings in magic-angle-spinning solid-state NMR by the double-oscillating field technique. Journal of Chemical Physics, 133, 064501.

Straasø, L. A., Nielsen, J. T., Bjerring, M., Khaneja, N. & Nielsen, N. C. (2014). Accurate measurements of ¹³C-¹³C distances in uniformly ¹³C-labeled proteins using multi-dimensional four-oscillating field solid-state NMR spectroscopy. Journal of Chemical Physics, 141(11), Article 114201. https://doi.org/10.1063/1.4895527

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

Stöger, B., Weil, M. & Skibsted, J. (2013). The crystal structure of BaPO₃ revisited - a combined X-ray diffraction and solid-state ¹⁹F, ³¹P MAS NMR study. Dalton Transactions (Print Edition), 42(32), 11672-11682. https://doi.org/10.1039/C3DT50373A

Stöger, B., Weil, M. & Skibsted, J. (2013). The crystal structure of BaPO3F revisited - a combined X-ray diffraction and solid-state F-19, P-31 MAS NMR study. Dalton Transactions (Print Edition), 42, 11672-11582. https://doi.org/10.1039/c3dt50373a

Displaying results 101 to 150 out of 780

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Revised 17.04.2023

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Lise Refstrup Linnebjerg Pedersen