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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Kehlet, C. & Nielsen, N. C. (2006). Solid-State NMR Experiments by Optimal Control. Bruker Report, 157, 31-34. http://www.bruker-est.com/fileadmin/be_user/News_Events/SpinReport/SpinReport157_31-34.pdf

Sørensen, M. K., Lemming, C., Jensen, O. N. & Nielsen, N. C. (2024). Soil Analysis by Mobile Multinuclear NMR: Quantification of Phosphorus, Aluminum, and Sodium. Analytical Chemistry, 96(43), 17086-17091. https://doi.org/10.1021/acs.analchem.4c01333

Nielsen, A. B., Nielsen, N. C., Gath, J., Székely, K., Ernst, M. & Meier, B. H. (2012). Simultaneous acquisition of PAR and PAIN spectra. Journal of Biomolecular N M R, Volume 52(Issue 4), 283-288. https://doi.org/10.1007/s10858-012-9616-7

Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2011). SIMPSON - An important driver for numerical simulations in solid-state NMR spectroscopy. Journal of Magnetic Resonance, 213(2), 401-403. https://doi.org/10.1016/j.jmr.2011.08.002

Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2000). SIMPSON: A general program for solid-state NMR spectroscopy. Journal of Magnetic Resonance, 147, 296-330.

Equbal, A., Shankar, R., Leskes, M., Vega, S. S. S. S., Nielsen, N. C. & Madhu, P. K. (2017). Significance of symmetry in the nuclear spin Hamiltonian for efficient heteronuclear dipolar decoupling in solid-state NMR: A Floquet description of supercycled rCW schemes. Journal of Chemical Physics, 146(10), Article 104202. https://doi.org/10.1063/1.4977738

Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Separation of ²H MAS NMR spectra by two-dimensional spectroscopy. Journal of Magnetic Resonance, 139, 314-333.

Goswami, M., Madhu, P. K., Dittmer, J., Nielsen, N. C. & Ganapathy, S. (2009). Sensitivity enhancement of ²⁹Si double-quantum dipolar recoupling spectroscopy by Carr-Purcell-Meiboom-Gill acquisition method. Chemical Physics Letters, 478, 287-291.

Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1997). Sensitivity-Enhanced Quadrupolar-Echo NMR of Half-Integer Quadrupolar Nuclei. Magnitudes and Relative Orientation of Chemical Shielding and Quadrupolar Coupling Tensors. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 101, 8597-8606.

Vosegaard, T., Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1997). Sensitivity-Enhanced Multiple-Quantum MAS NMR of Half-Integer Quadrupolar Nuclei. Journal of the American Chemical Society, 119, 9055-9056.

Weber, M., Schneider, D., Prodöhl, A., Dreher, C., Becker, C., Underhaug, J., Svane, A. S. P., Malmendal, A., Nielsen, N. C. & Otzen, D. (2011). SDS-facilitated in vitro formation of a transmembrane B-type cytochrome is mediated by changes in local pH. Journal of Molecular Biology, 407(4), 594-606. https://doi.org/10.1016/j.jmb.2011.02.005

Kalashnyk, N., Nielsen, J. T., Nielsen, E. H., Skrydstrup, T., Otzen, D., Lægsgaard, E., Wang, C., Besenbacher, F., Nielsen, N. C. & Linderoth, T. R. (2012). Scanning tunneling microscopy reveals single-molecule insights into the self-assembly of amyloid fibrils. A C S Nano, 6(8), 6882-6889. https://doi.org/10.1021/nn301708d

Equbal, A., Paul, S., Mithu, V. S., Vinther, J. M., Nielsen, N. C. & Madhu, P. K. (2014). rTPPM: Towards Improving Solid-State NMR Two-Pulse Phase-Modulation Heteronuclear Dipolar Decoupling Sequence by Refocusing. Journal of Magnetic Resonance, 244, 68-73. https://doi.org/10.1016/j.jmr.2014.04.009

Vinther, J. M., Khaneja, N. & Nielsen, N. C. (2013). Robust and Efficient 19F Heteronuclear Dipolar Decoupling using Refocused Continuous-Wave Rf Irradiation. Journal of Magnetic Resonance. https://doi.org/10.1016/j.jmr.2012.11.003

Vosegaard, T., Bertelsen, K., Pedersen, J. M., Thøgersen, L., Schiøtt, B., Tajkhorshid, E., Skrydstrup, T. & Nielsen, N. C. (2008). Resolution Enhancement in Solid-State NMR of Oriented Membrane Proteins by Anisotropic Differential Linebroadening. Journal of the American Chemical Society, 130, 5028-5029.

Kehlet, C., Nielsen, J. T., Tosner, Z. & Nielsen, N. C. (2011). Resolution-Enhanced Solid-State NMR 13C-13C Correlation Spectroscopy by Optimal Control Dipolar-Driven Spin-State-Selective Coherence Transfer. The Journal of Physical Chemistry Letters, 2, 543-547.

Bertelsen, K., Jensen, B. P., Thøgersen, L., Tajkhorshid, E., Schiøtt, H. B., Skrydstrup, T., Nielsen, N. C. & Vosegaard, T. (2009). Residue-Specific Information about the Dynamics of Antimicrobial Peptides from ¹H−¹⁵N and ²H Solid-State NMR Spectroscopy. Journal of the American Chemical Society, 131(51), 18335–18342. https://doi.org/10.1021/ja908604u

Bak, M. & Nielsen, N. C. (1997). REPULSION, A Novel Approach to Efficient Powder Averaging in Solid-State NMR. Journal of Magnetic Resonance, 125(1), 132-139.

Bundgaard, E., Hagemann, O., Bjerring, M., Nielsen, N. C., Andreasen, J. W., Andreasen, B. & Krebs, F. C. (2012). Removal of Solubilizing Side Chains at Low Temperature: A New Route to Native Poly(thiophene). Macromolecules, 45(8), 3644-3646. https://doi.org/10.1021/ma300075x

Bak, M. & Nielsen, N. C. (1997). Relative orientation of chemical shielding and dipolar coupling tensors: Mixed single- and double-quantum homonuclear rotary resonancenuclear magnetic resonance of rotating solids. Journal of Chemical Physics, 106(18), 7587-7599.

Equbal, A., Leskes, M., Nielsen, N. C., Madhu, P. K. & Vega, S. S. S. S. (2016). Relative merits of rCWA and XiX heteronuclear spin decoupling in solid-state magic-angle-spinning NMR spectroscopy: A bimodal Floquet analysis. Journal of Magnetic Resonance, 263, 55-64. https://doi.org/10.1016/j.jmr.2015.12.019

Vinther, J. M., Nielsen, A. B., Bjerring, M., van Eck, E., Kentgens, A., Khaneja, N. & Nielsen, N. C. (2012). Refocused continuous-wave decoupling: A new approach to heteronuclear dipolar decoupling in solid-state NMR spectroscopy. Journal of Chemical Physics, 137(21), 214202. https://doi.org/10.1063/1.4768953

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.

Maximov, I. I., Vinding, M. S., Tse, D. H. Y., Nielsen, N. C. & Shah, N. J. (2015). Real-time 2D spatially selective MRI experiments: Comparative analysis of optimal control design methods. Journal of Magnetic Resonance, 254(110-120), 110-120. https://doi.org/10.1016/j.jmr.2015.03.003

Bjerring, M. M., Jensen, B. P., Oschkinat, H. H., Akbey, U. & Nielsen, N. C. (2012). Rapid solid-state NMR of deuterated proteins by interleaved cross-polarization from ¹ H and ² H nuclei. Journal of Magnetic Resonance, 214, 324-328. https://doi.org/10.1016/j.jmr.2011.10.020

Nielsen, K. M. E., Dittmer, J., Malmendal, A. & Nielsen, N. C. (2008). Quantitative Analysis of Constituents in Heavy Fuel Oil by 1H Nuclear Magnetic Resonance (NMR) Spectroscopy and Multivariate Data Analysis. Energy & Fuels, 22(6), 4070–4076. https://doi.org/10.1021/ef800539g

Laustsen, C., Ringgaard, S., Pedersen, M. & Nielsen, N. C. (2010). Quadrupolar-coupling-specific binomial pulse sequences for in vivo(23)Na NMR and MRI. Journal of Magnetic Resonance, 206, 139-146. https://doi.org/10.1016/j.jmr.2010.06.017

Akbey, Ü., Nieuwkoop, A. J., Wegner, S., Voreck, A., Kunert, B., Bandara, P., Engelke, F., Nielsen, N. C. & Oschkinat, H. (2014). Quadruple-resonance magic-angle spinning NMR spectroscopy of deuterated solid proteins. Angewandte Chemie, 53(9), 2438-42. https://doi.org/10.1002/anie.201308927

Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1998). QCPMG-MAS NMR of Half-Integer Quadrupolar Nuclei. Journal of Magnetic Resonance, 131, 144-147.

Runager, K., Garcia-Castellanos, R., Valnickova, Z., Kristensen, T., Nielsen, N. C., Klintworth, G. K., Gomis-Ruth, F. X. & Enghild, J. J. (2009). Purification, crystallization and preliminary X-raydiffraction of wild-type and mutant recombinanthuman transforming growth factor b-inducedprotein (TGFBIp). Acta Crystallographica. Section F: Structural Biology and Crystallization Communications Online, 65, 299-303.

Meissner, A., Moskau, D., Nielsen, N. C. & Sørensen, O. W. (1997). Proton-Detected¹³C-¹³C Double-Quantum Coherence. Journal of Magnetic Resonance, 124(1), 245-249.

Kosicka, I., Kristensen, T., Bjerring, M., Thomsen, K., Scavenius, C., Enghild, J. J. & Nielsen, N. C. (2014). Preparation of Uniformly 13C,15N-Labeled Recombinant Human Amylin for Solid-State NMR Investigation. Protein Expression and Purification, 99, 119-130. https://doi.org/10.1016/j.pep.2014.04.002

Bjerring, M., Nielsen, J. S., Nielsen, N. C. & Krebs, F. C. (2007). Polythiophene by solution processing. Macromolecules, 40, 6012-6013. https://doi.org/10.1021/ma071200z

Brodszkij, E., Ryberg, C., Lyons, J. A., Juhl, D. W., Nielsen, N. C., Sigalas, N. I., Lyulin, A. V., Pedersen, J. S. & Städler, B. (2024). Poly(Sitosterol)-Based Hydrophobic Blocks in Amphiphilic Block Copolymers for the Assembly of Hybrid Vesicles. Small, 20(40), Article 2401934. https://doi.org/10.1002/smll.202401934

Ghodke, S. D., Jensen, G. V., Svane, A. S. P., Weise, K., Søndergaard, A., Behrens, M. A., Pedersen, J. S., Nielsen, N. C., Pedersen, J. S., Winter, R. & Otzen, D. (2014). Polymorphism, metastable species and interconversion: the many states of glucagon fibrils. In V. Uversky & Y. Lyubchenko (Eds.), Bio-nanoimaging: Protein misfolding and aggregation (pp. 373-386). Elsevier. https://doi.org/10.1016/B978-0-12-394431-3.00034-1

Andreasen, M., Nielsen, S. B., Runager, K., Christiansen, G., Nielsen, N. C., Enghild, J. J. & Otzen, D. (2012). Polymorphic Fibrillation of the Destabilized Fourth Fasciclin-1 Domain Mutant A₅₄6T of the Transforming Growth Factor-β-induced Protein (TGFBIp) Occurs through Multiple Pathways with Different Oligomeric Intermediates. Journal of Biological Chemistry, 287(41), 34730-34742. https://doi.org/10.1074/jbc.M112.379552

Vu-Quang, H., Vinding, M. S., Nielsen, T., Ullisch, M. G., Nielsen, N. C., Nguyen, D. T. & Kjems, J. (2019). Pluronic F127-folate coated super paramagenic iron oxide nanoparticles as contrast agent for cancer diagnosis in magnetic resonance imaging. Polymers, 11(4), Article 743. https://doi.org/10.3390/polym11040743

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

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

Equbal, A., Madhu, P. K., Meier, B. H., Nielsen, N. C., Ernst, M. & Agarwal, V. (2017). Parameter independent low-power heteronuclear decoupling for fast magic-angle spinning solid-state NMR. Journal of Chemical Physics, 146(8), Article 139901. https://doi.org/10.1063/1.4979997, https://doi.org/10.1063/1.4976997

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.

Oktaviani, N. A., Risør, M. W., Lee, Y.-H., Megens, R. P., de Jong, D. H., Otten, R., Scheek, R. M., Enghild, J. J., Nielsen, N. C., Ikegami, T. & Mulder, F. A. A. (2015). Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide. Journal of Biomolecular N M R, 62(2), 129-142. https://doi.org/10.1007/s10858-015-9925-8

Vinding, M. S., Maximov, I., Tosner, Z., Jespersen, S. N. & Nielsen, N. C. (2011). Optimal Control Theory in Magnetic Resonance Imaging: Global Optima for 2DRF pulses. Poster session presented at 32nd Annual Danish NMR Meeting, Korsør, Denmark.

Laustsen, C., Bowen, S., Vinding, M. S., Nielsen, N. C. & Ardenkjær-Larsen, J. H. (2012). Optimal Control Singlet State Storage of hyperpolarized compounds. In Optimal Control Singlet State Storage of hyperpolarized compounds

Laustsen, C., Bowen, S., Vinding, M. S., Nielsen, N. C. & Ardenkjær-Larsen, J. H. (2013). OPTIMAL CONTROL SINGLET STATE STORAGE FOR CLINICAL MR SYSTEMS. Abstract from ISMRM 2013, Salt Lake City, United States.

Nielsen, N. C., Kehlet, C., Glaser, S. J. & Khaneja, N. (2010). Optimal control methods in NMR. In Encyclopedia of Magnetic Resonance John Wiley & Sons Ltd. https://doi.org/10.1002/9780470034590.emrstm1043

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

Kehlet, C., Tosner, Z., Nielsen, A. B., Bjerring, M., Nielsen, J. T., Vinding, M. S., Vosegaard, T., Glaser, S. J., Khaneja, N. & Nielsen, N. C. (2009). Optimal Control in NMR Spectroscopy: Implementation into SIMPSON and Novel Experiments for Biological Solid-State NMR. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, CA, United States.

Bretschneider, C. O., Nielsen, N. C., Karabanov, A. & Kockenberger, W. (2009). Optimal Control Design of Parahydrogen Induced Polarisation Experiments. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, United States.

Maximov, I., Tosner, Z. & Nielsen, N. C. (2008). Optimal control design of NMR and dynamic nuclear polarization experiments using monotonically convergent algorithms. Journal of Chemical Physics, 128, 184505. https://doi.org/10.1063/1.2903458

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Lise Refstrup Linnebjerg Pedersen