Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Malmendal, A., Underhaug, J., Otzen, D. E. & Nielsen, N. C. (2010). Fast mapping of global protein folding states by multivariate NMR: a GPS for proteins. PLoS One, 5(4), e10262. https://doi.org/10.1371/journal.pone.0010262
Vinding, M. S., Brenner, D., Tse, D. H. Y., Stöcker, T., Nielsen, N. C., Suter, D. & Maximov, I. (2015). Fast design of 2D spatially selective RF pulses for parallel transmit at ultra-high fields. Poster session presented at ESMRMB, Edinburgh, United Kingdom.
Jensen, O. N., Beyer, M., Sørensen, M. K., Kreimeyer, M. & Nielsen, N. C. (2021). Fast and accurate quantification of nitrogen and phosphorus constituents in animal slurries using NMR sensor technology. ACS Omega, 6(27), 17335-17341. https://doi.org/10.1021/acsomega.1c01441
Wang, J., Norgaard, T., Kisielius, V., Wili, N., Muhmood, A., Wang, D., Carvalho, P. N., Nielsen, N. C. & Wu, S. (2024). Exploring the intensified catalytic role of biochar in facilitating advanced oxidation of tebuconazole. Chemical Engineering Journal, 498, Article 155025. https://doi.org/10.1016/j.cej.2024.155025
Siminovitch, D., Untidt, T. S. & Nielsen, N. C. (2004). Exact effective Hamiltonian theory. II: Expansion of matrix functions and entangled unitary exponential operators. Journal of Chemical Physics, 120, 51-66.
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
Bjerring, M. & Nielsen, N. C. (2003). Solid-state NMR heteronuclear dipolar recoupling using off-resonance symmetry-based pulse sequences. Chemical Physics Letters, 370, 496-503. https://doi.org/10.1016/S0009-2614(03)00103-9
Bjerring, M., Rasmussen, J. T., Krogshave, R. S. & Nielsen, N. C. (2003). Heteronuclear coherence transfer in solid-state NMR using a gamma-encoded transferred echo experiment. Journal of Chemical Physics, 119, 8916-8926. https://doi.org/10.1063/1.1613933
Hohwy, M. & Nielsen, N. C. (1997). Elimination of high order terms in multiple pulse nuclear magneticresonance spectroscopy: Application to homonuclear decoupling in solids. Journal of Chemical Physics, 106, 7574-7586.
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. Biochimica et Biophysica Acta - 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. PLoS 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
Kildahl, S. S., Kaussler, C., Ebenbauer, R., Bech, T. B., Giovanelli, R., Henriksen, M. L., Mithani, M., Uysal-Unalan, I., Juhl, D. W., Nielsen, N. C. & Skrydstrup, T. (Accepted/In press). CO2 capture with post-modified nitrile and styrene-butadiene-styrene rubbers. Chem, Article 102918. https://doi.org/10.1016/j.chempr.2025.102918
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
Nielsen, A. B., Carvalho, J. P., Wili, N., Jensen, F. V., Goodwin, D. L., Untidt, T. S., Tošner, Z. & Nielsen, N. C. (2025). Controlling effective Hamiltonians: Broadband pulsed dynamic nuclear polarization by constrained random walk and non-linear optimization. The Journal of Chemical Physics, 163(14), Article 144111. https://doi.org/10.1063/5.0287050
Cao, F., Sørensen, S. S., Christensen, A. K. R., Mollick, S., Ge, X., Sun, D., Nielsen, A. B., Nielsen, N. C., Lock, N., Lu, R., Klemmt, R., Kristensen, P. K., Jensen, L. R., Dallari, F., Baglioni, J., Monaco, G., Karlsen, M. A., Baran, V. & Smedskjaer, M. M. (2025). Continuous structure modification of metal-organic framework glasses via halide salts. Nature Communications, 16(1), Article 7001. https://doi.org/10.1038/s41467-025-62143-9
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

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen