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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Hohwy, M., Bildsøe, H. K., Jakobsen, H. J. & Nielsen, N. C. (1999). Efficient spectral simulations in NMR of rotating solids. The gamma-COMPUTE algorithm. Journal of Magnetic Resonance, 136, 6-14.

Basse, K., Jain, S. K., Bakharev, O. N. & Nielsen, N. C. (2014). Efficient Polarization Transfer between Spin-1/2 and ¹⁴N Nuclei in Solid-State MAS NMR Spectroscopy. Journal of Magnetic Resonance, 244, 85-89. https://doi.org/10.1016/j.jmr.2014.04.017

Equbal, A., Paul, S., Mithu, V. S., Madhu, P. K. & Nielsen, N. C. (2014). Efficient Heteronuclear Decoupling in MAS Solid-State NMR using Non-rotor-synchronized rCW Irradiation. Journal of Magnetic Resonance, 246, 104-109. https://doi.org/10.1016/j.jmr.2014.07.006

Jain, S. K., Bjerring, M. & Nielsen, N. C. (2012). Efficient and Robust Heteronuclear Cross-Polarization for High-Speed-Spinning Biological Solid-State NMR Spectroscopy. The Journal of Physical Chemistry Letters, 3, 703-708.

Nielsen, N. C., Malmendal, A., Bertram, H. C., Petersen, B. O., Madsen, J. C., Pedersen, H., Hoppe, C., Mølgaard, C., Michaelsen, K. F. & Duus, J. Ø. (2007). Effect of magnetic field strength on NMR-based metabonomic of human urine data - A comparative study of 250, 400, 500 and 800 MHz. Bunseki, 79(18), 7110-7115.

Larsen, F. H. & Nielsen, N. C. (1999). Effect of finite Rf pulses; sample spinning speed in multiple-quantum magic-angle spinning (MQ-MAS); multiple-quantum Carr-Purcell-Meiboom-Gill magic-angle spinning (MQ-QCPMG-MAS) nuclear magnetic resonance ofhalf integer quadrupolar nuclei. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 10825-10832.

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.

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

Koldsø, H., Andersen, O. J., Nikolajsen, C. L., Scavenius, C., Sørensen, C. S., Underhaug, J., Runager, K., Nielsen, N. C., Enghild, J. J. & Schiøtt, B. (2015). Early Events in the Amyloid Formation of the A546T Mutant of Transforming Growth Factor Beta Induced Protein (TGFBIp) in Corneal Dystrophies Compared to the Non-Fibrillating R555W and R555Q Mutants. Biochemistry, 54(36), 55546-5556. https://doi.org/10.1021/acs.biochem.5b00473

Nielsen, A. B., Carvalho, J. P. A., Goodwin, D. L., Wili, N. & Nielsen, N. C. (2024). Dynamic nuclear polarization pulse sequence engineering using single-spin vector effective Hamiltonians. Physical chemistry chemical physics : PCCP, 26(44), 28208-28219. https://doi.org/10.1039/d4cp03041a

Vinding, M. S., Laustsen, C., Maximov, I., Søgaard, L. V., Ardenkjær-Larsen, J. H. & Nielsen, N. C. (2013). Dynamic nuclear polarization and optimal control spatial-selective 13C MRI and MRS. Journal of Magnetic Resonance, 227, 57-61. https://doi.org/10.1016/j.jmr.2012.12.002

Bunkenborg, J., Nielsen, N. C. & Sørensen, O. W. (2000). Doubling the sensitivity of natural abundance ¹³C-¹³C INADEQUATE with off-resonance compensation. Magn. Reson. Chem., 38, 58-61.

Nielsen, N. C., Thøgersen, H. & Sørensen, O. W. (1995). Doubling the Sensitivity of INADEQUATE for a I3a I3Tracing Out the Carbon Skeleton of Moleculesby NMR. Journal of the American Chemical Society, 117, 11365-11366.

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

Rasmussen, L. K., Johnsen, L. B., Tsiora, A., Sørensen, E. S., Thomsen, J. K., Nielsen, N. C., Jakobsen, H. J. & Petersen, T. E. (1999). Disulphide-linked caseins and casein micelles. International Dairy Journal, 9, 215-218.

Jiang, L., Zhao, B., Xu, P., Sørensen, H. P., Jensen, J. K., Christensen, A., Hosseini, M., Nielsen, N. C., Jensen, K. J., Andreasen, P. A. & Huang, M. (2015). Distinctive binding modes and inhibitory mechanisms of two peptidic inhibitors of urokinase-type plasminogen activator with isomeric P1 residues. International Journal of Biochemistry & Cell Biology, 62, 88-92. https://doi.org/10.1016/j.biocel.2015.02.016

Mittag, T., Christensen, K. L., Lindsay, K., Nielsen, N. C. & Skrydstrup, T. (2008). Direct Entry to Peptidyl Ketones via SmI2-Mediated C−C Bond Formation with Readily Accessible N-Peptidyl Oxazolidinones. Journal of Organic Chemistry, 73(3), 1088–1092. https://doi.org/10.1021/jo702286b

Nielsen, N. C., Straasø, L. A. & Nielsen, A. B. (2012). Dipolar Recoupling. Topics in Current Chemistry, 306, 1-45.

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

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.

Bjerring, M., Jain, S. K., Jensen, B. P., Vinther, J. M. & Nielsen, N. C. (2013). Designing dipolar recoupling and decoupling experiments for biological solid-state NMR using interleaved continuous wave and rf pulse irradiation. Accounts of Chemical Research, 46(9), 2098-2107. https://doi.org/10.1021/ar300329g

Wili, N., Nielsen, A. B., Völker, L. A., Schreder, L., Nielsen, N. C., Jeschke, G. & Tan, K. O. (2022). Designing broadband pulsed dynamic nuclear polarization sequences in static solids. Science Advances, 8(28), Article eabq0536. https://doi.org/10.1126/sciadv.abq0536

Vosegaard, T. & Nielsen, N. C. (2009). Defining the Sampling Space in Multidimensional NMR Experiments: What should the Maximum Sampling Time Be?. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, United States.

Vosegaard, T. & Nielsen, N. C. (2009). Defining the sampling space in multidimensional NMR experiments: What should the maximum sampling time be? Journal of Magnetic Resonance, 199(2), 146-158. https://doi.org/10.1016/j.jmr.2009.04.007

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

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., 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.

Risør, M. W., Juhl, D. W., Bjerring, M., Mathiesen, J., Enghild, J. J., Nielsen, N. C. & Otzen, D. E. (2017). Critical Influence of Cosolutes and Surfaces on the Assembly of Serpin-Derived Amyloid Fibrils. Biophysical Journal, 113(3), 580-596. https://doi.org/10.1016/j.bpj.2017.06.030

Young, J. F., Larsen, L. B., Malmendal, A., Nielsen, N. C., Straadt, I. K., Oksbjerg, N. & Bertram, H. C. (2010). Creatine-induced activation of antioxidative defence in myotube cultures revealed by explorative NMR-based metabonomics and proteomics. Journal of the international society of sports nutrition, 7(9). https://doi.org/10.1186/1550-2783-7-9

Bretschneider, C., Karabanov, A., Nielsen, N. C. & Köckenberger, W. (2012). Conversion of parahydrogen induced longitudinal two-spin order to evenly distributed single spin polarisation by optimal control pulse sequences. Journal of Chemical Physics, 136(9), 094201. https://doi.org/10.1063/1.3691193

Vinding, M. S., Guérin, B. & Nielsen, N. C. (2014). Constraining local and global SAR in MRI pulse design. Poster session presented at 35th Danish NMR Meeting, Denmark.

Juhl, D. W., Risør, M. W., Scavenius, C., Rasmussen, C. B., Otzen, D., Nielsen, N. C. & Enghild, J. J. (2019). Conservation of the Amyloid Interactome Across Diverse Fibrillar Structures. Scientific Reports, 9(1), Article 3863. https://doi.org/10.1038/s41598-019-40483-z

Bak, M., Bywater, R., Hohwy, M., Thomsen, J. K., Adelhorst, K., Jakobsen, H. J., Sørensen, O. W. & Nielsen, N. C. (2001). Conformation of alamethicin in oriented phospholipid bilayers determined by ¹⁵N solid-state NMR. Biophysical Journal, 81, 1684-1698.

Bak, M., Bywater, R. P., Hohwy, M., Thomsen, J. K., Adelhorst, K., Jakobsen, H. J., Sørensen, O. W. & Nielsen, N. C. (2001). Conformation of Alamethicin in Oriented Phospholipid Bilayers Determined by 15N Solid-State Nuclear Magnetic Resonance. Biophysical Journal, (81), 1684-1698.

Nielsen, N. C. & Sørensen, O. W. (1995). Conditional Bounds on Polarization Transfer. Journal of Magnetic Resonance, 114, 24-31.

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

Vinding, M. S., Nielsen, N. C., Suter, D. & Maximov, I. (2015). Computational framework “blOCh” for a multidimensional RF pulse design using optimal control theory. Poster session presented at European Society for Magnetic Resonance in Medicine and Biology, Edinburgh, United Kingdom.

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

Nielsen, N. C. (2005). Computational Aspects of Biological Solid-State NMR Spectroscopy. In NMR Spectroscopy of Biological Solids (pp. Chapter 11). Taylor & Francis.

Khaneja, N., Kehlet, C., Glaser, S. J. & Nielsen, N. C. (2006). Composite dipolar recoupling: anisotropy compensated coherence transfer in solid-state NMR. Journal of Chemical Physics, 124, 114503-1 - 114503-7.

Bak, M., Rasmussen, L. K., Petersen, T. E. & Nielsen, N. C. (2001). Colloidal calcium phosphates in casein micelles studied by slow-speed-spinning ³¹P magic angle spinning solid-state nuclear magnetic resonance. J. Dairy Sci., 84, 1310-1319.

Slotsbo, S., Hansen, L. M., Jordaens, K., Backeljau, T., Malmendal, A., Nielsen, N. C. & Holmstrup, M. (2012). Cold tolerance and freeze-induced glucose accumulation in three terrestrial slugs. Comparative Biochemistry and Physiology - Part A: Molecular & Integrative Physiology, 161(4), 443-449. https://doi.org/10.1016/j.cbpa.2012.01.002

Zhang, S., Andreasen, M., Nielsen, J. T., Liu, L., Nielsen, E. H., Song, J., Ji, G., Sun, F., Skrydstrup, T., Besenbacher, F., Nielsen, N. C., Otzen, D. E. & Dong, M. (2013). Coexistence of ribbon and helical fibrils originating from hIAPP20-29 revealed by quantitative nanomechanical atomic force microscopy. Proceedings of the National Academy of Sciences (PNAS), 110(8), 2798-2803. https://doi.org/10.1073/pnas.1209955110

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).

Würtz, P., Permi, P., Nielsen, N. C. & Sørensen, O. W. (2008). Clean HMBC: Suppression of strong-coupling induced artifacts in HMBC spectra. Journal of Magnetic Resonance, 194(1), 89-98. https://doi.org/10.1016/j.jmr.2008.06.002

Jensen, M., Bjerring, M., Nielsen, N. C. & Nerdal, W. (2010). Cisplatin interaction with phosphatidylserine bilayer studied by solid-state NMR spectroscopy. Journal of Biological Inorganic Chemistry, 15(2), 213-223. https://doi.org/10.1007/s00775-009-0586-5

Vu Quang, H., Vinding, M. S., Xia, D., Nielsen, T., Ullisch, M. G., Dong, M., Nielsen, N. C. & Kjems, J. (2016). Chitosan-coated Poly(lactic-co-glycolic acid) Perfluorooctyl Bromide Nanoparticles for Cell Labeling in 19F Magnetic Resonance Imaging. Carbohydrate Polymers, 136, 936-944. https://doi.org/10.1016/j.carbpol.2015.09.076

Nielsen, J. T., Eghbalnia, H. R. & Nielsen, N. C. (2012). Chemical shift prediction for protein structure calculation and quality assessment using an optimally parameterized force field. Progress in Nuclear Magnetic Resonance Spectroscopy, 60, 1-28. https://doi.org/10.1016/j.pnmrs.2011.05.002

Singh, G., Phalgune, U. D., Madhu, P. K., Nielsen, N. C. & Ganapathy, S. (2022). Chemical shielding and electric field gradient tensors of disodium 5′-adenosine triphosphate trihydrate determined by solid-state NMR spectroscopy and ab initio calculations. Journal of Magnetic Resonance, 10-11, Article 100051. https://doi.org/10.1016/j.jmro.2022.100051

Rasmussen, L. K., Sørensen, E., Petersen, T. E., Nielsen, N. C. & Thomsen, J. K. (1997). Characterization of Phosphate Sites in Native Ovine, Caprine, and Bovine Casein Micelles and Their Caseinomacropeptides: A Solid-State Phosphorus-31 Nuclear Magnetic Resonance and Sequence and Mass Spectrometric Study. Journal of Dairy Science, 80, 607-614.

Displaying results 201 to 250 out of 299

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Revised 17.04.2023

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Lise Refstrup Linnebjerg Pedersen