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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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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. & Mulder, F. A. A. (2021). CheSPI: chemical shift secondary structure population inference. Journal of Biomolecular NMR, 75(6-7), 273-291. https://doi.org/10.1007/s10858-021-00374-w

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

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2004). Characterization of white Portland cement hydration and the C-S-H structure in the presence of sodium aluminate by ²⁷Al and ²⁹Si MAS NMR spectroscopy. Cement and Concrete Research, 34, 857-868.

Vosegaard, T., Byriel, I. P. & Jakobsen, H. J. (1997). Characterization of the Two Rubidium Sites in Rb₂CrO₄ by ⁸⁷Rb Single-Crystal NMR. Journal of Physical Chemistry B, 101(44), 8955-8958. https://doi.org/10.1021/jp9720247

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)

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2002). Characterization of the alpha->beta phase transition in Friedels salt (Ca2Al(OH)6Cl.2H2O) by variable-temperature 27Al MAS NMR spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 6676-6682.

Skibsted, J. (2022). Characterization of supplementary cementitious materials and their quantification in cement blends by solid-state NMR. In Industrial Waste: Characterization, Modification and Applications of Residues (pp. 3-32). De Gruyter. https://doi.org/10.1515/9783110674941-001

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.

Nie, S. & Skibsted, J. (2022). Characterization of Monochromate and Hemichromate AFm Phases and Chromate-Containing Ettringite by¹H,²⁷Al, and⁵³Cr MAS NMR Spectroscopy. Minerals, 12(3), Article 371. https://doi.org/10.3390/min12030371

Vosegaard, T., Skibsted, J. & Jakobsen, H. J. (1999). Characterization of Mo(CO)₆ by ⁹⁵Mo Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103(45), 9144-9149. https://doi.org/10.1021/jp9922615

Skibsted, J., Andersen, M. D., Hansen, M. R. & Jakobsen, H. J. (2003). Characterization of Guest-Ions in Cement Minerals and the C-S-H Phase by solid-State NMR Spectroscopy. Poster session presented at Rocky Mountain Conference on Analytical Chemistry, Denver, Colorado, United States.

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.

Nesgaard, L. W., Hoffmann, S. V., Andersen, C. B., Malmendal, A. & Otzen, D. (2008). Characterization of Dry Globular Proteins and Protein Fibrils by Synchrotron Radiation Vacuum UV Circular Dichroism. Biopolymers, 89(9), 779-795.

Skibsted, J. & Hall, C. (2007). Characterization of cement minerals, cements and their reaction products at the atomic and nanoscale level. In 12. International Congress on the Chemistry of Cement, Montréal, Canada (pp. WPL2: 1-44)

Skibsted, J. & Hall, C. (2008). Characterization of cement minerals, cements and their reaction products at the atomic and nano scale. Cement and Concrete Research, 38, 205-225.

Richardson, I., Skibsted, J., Black, L. & Kirkpatrick, R. J. (2010). Characterization of cement hydrate phases by TEM, NMR and Raman spectroscopy. Advances in Cement Research, 22(4), 233-248.

Maia Neto, F. & Skibsted, J. (2025). Characterization of aqueous carbonated cement-based materials by multinuclear solid-state NMR spectroscopy. Journal of Sustainable Cement-Based Materials, 14(6), 1191-1206. https://doi.org/10.1080/21650373.2025.2495142

Vosegaard, T. (2010). Challenges in Numerical Simulations of Solid-State NMR Experiments: Spin Exchange Pulse Sequences. Solid State Nuclear Magnetic Resonance, 38. https://doi.org/10.1016/j.ssnmr.2011.01.002

Maeno, A., Sindhikara, D., Hirata, F., Otten, R., Dahlquist, F. W., Yokoyama, S., Akasaka, K., Mulder, F. A. A. & Kitahara, R. (2015). Cavity as a Source of Conformational Fluctuation and High-Energy State: High-Pressure NMR Study of a Cavity-Enlarged Mutant of T4Lysozyme. Biophysical Journal, 108(1), 133-45. https://doi.org/10.1016/j.bpj.2014.11.012

Jakobsen, L. O., Malmendal, A., Nielsen, N. C. & Esmann, M. (2006). Cation binding in Na,K-ATPase investigated using ²⁰⁵Tl solid-state NMR spectroscopy. Biochemistry, 45, 10768-10776.

Jakobsen, L. O., Malmendahl, A., Nielsen, N. C. & Esmann, M. (2006). Cation Binding in Na,K-ATPase, Investigated by 205Tl Solid-State NMR Spectroscopy. Biochemistry, 45, 10768-10776. https://doi.org/10.1021/bi060642k

Bregnhøj, M., Jensen, S. J. K., Strunge, K., Nielsen, A. B., Thøgersen, J., Nørnberg, P., Skibsted, J. & Finster, K. (2023). Carbon Dioxide Sequestration by Triboelectric Charging of Tumbling Quartz Sand. Journal of Physical Chemistry C, 127(25), 12008-12015. https://doi.org/10.1021/acs.jpcc.3c02008

Shi, Z., Lothenbach, B., Geiker, M. R., Kaufmann, J., Garzon, S. F. & Skibsted, J. (2015). Carbonation of Portland cement mortars including metakaolin and limestone. In Proceedings of the 14th International Congress on the Chemistry of Cement (pp. 441)

Sevelsted, T. F. & Skibsted, J. (2015). Carbonation of C-S-H and C-A-S-H samples studied by ¹³C, ²⁷Al and ²⁹Si MAS NMR spectroscopy. Cement and Concrete Research, 71, 56-65. https://doi.org/10.1016/j.cemconres.2015.01.019

Malmendal, A., Vander Kooi, C. W., Nielsen, N. C. & Chazin, W. (2005). Calcium-modulated S100 protein-phospholipic interactions. An NMR study of calbindin D9k and DPC. Biochemistry, 44, 6502-6512.

Moesgaard, M., Herfort, D., Skibsted, J. & Yue, Y. (2010). Calcium aluminosilicate glasses as supplementary cementitious materials. Glass Technology-European Journal of Glass Science and Technology Part A, 51(5), 183-190.

Hundebøl, B. N. R. G., Rohde, P. D., Kristensen, T. N., Jensen, R. W. M., Vosegaard, T. & Sørensen, J. G. (2024). Bugs on Drugs: Paracetamol Exposure Reveals Genotype-Specific Generational Effects on Life History Traits in Drosophila melanogaster. Insects, 15(10), Article 763. https://doi.org/10.3390/insects15100763

Nielsen, A. B., Straasø, L. A., Nieuwkoop, A. J., Rienstra, C. M., Bjerring, M. & Nielsen, N. C. (2010). Broadband Heteronuclear Solid-State NMR Experiments by Exponentially Modulated Dipolar Recoupling without Decoupling. The Journal of Physical Chemistry Letters, 1((13)), 1952-1958.

Bjerring, M., Nielsen, A. B., Tosner, Z. & Nielsen, N. C. (2010). Broadband heteronuclear dipolar recoupling without 1H decoupling in solid-state NMR using simple cross-polarization methods. Chemical Physics Letters, 494(4-6), 326-330. https://doi.org/10.1016/j.cplett.2010.06.018

Hohwy, M., Jakobsen, H. J., Edén, M., Levitt, M. H. & Nielsen, N. C. (1998). Broadband dipolar recoupling in the nuclear magnetic resonanceof rotating solids: A compensated C7 pulse sequence. Journal of Chemical Physics, 108(7), 2686-2694.

Schulte-Herbrüggen, T., Untidt, T. S., Nielsen, N. C. & Sørensen, O. W. (2001). Broadband composite spin-state-selective rotations for NMR spectroscopy on partially aligned molecules. Journal of Chemical Physics, 115, 8506-8517.

Carvalho, J. P., Nielsen, A. B., Baligács, E., Wili, N. & Nielsen, N. C. (2025). Bridging Dynamic Nuclear Polarization and Solid-State NMR Dipolar Recoupling: From Static Single Crystal to Spinning Powders. The Journal of Physical Chemistry Letters, 16(17), 4363-4371. https://doi.org/10.1021/acs.jpclett.5c00617

Vinding, M. S., Brenner, D., Tse, D. H. Y., Vellmer, S., Vosegaard, T., Suter, D., Stöcker, T. & Maximov, I. (2016). Brain stem zoomed echo planar imaging with optimal control parallel transmit at 7T. Abstract from EUROMAR 2016, Aarhus, Denmark.

Wang, J., Norgaard, T., Kisielius, V., Nielsen, A. B., Carvalho, P. N., Nielsen, N. C. & Wu, S. (2026). Biochar–calcium peroxide composite for sustained tebuconazole removal via adsorption and surface-mediated oxidative degradation. Journal of Hazardous Materials, 501, Article 140943. https://doi.org/10.1016/j.jhazmat.2025.140943

Laustsen, C., Ringgaard, S., Pedersen, M. & Nielsen, N. C. (2010). Binomial Sequence for Selective Quadrupolar 23Na in Vitro and in Vivo NMR and MRI. Abstract from ISMRM, Stockholm, Sweden.

Nørnberg, P., Knak Jensen, S. J., Skibsted, J., Jakobsen, H. J., Kate, I. L. T., Gunnlaugsson, H. P., Merrison, J. P., Finster, K., Bak, E. N., Iversen, J. J. & Kondrup, J. C. (2015). Binding of methane to activated mineral surfaces - a methane sink on Mars?. Paper presented at The European Planetary Science Congress 2015, Nantes, France.

Roodbeen, R., Paaske, B., Jiang, L., Jensen, J. K., Christensen, A., Nielsen, J. T., Huang, M., Mulder, F. A. A., Nielsen, N. C., Andreasen, P. & Jensen, K. J. (2013). Bicyclic Peptide Inhibitor of Urokinase-Type Plasminogen Activator: Mode of Action. ChemBioChem, 14(16), 2179–2188. https://doi.org/10.1002/cbic.201300335

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

Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2002). Beta-VO2 - a V(IV) or mixed valence V(III)-V(V) oxide - studied by 51V MAS NMR spectroscopy. Chemical Physics Letters, 356, 73-78.

Malmos, K. G., Lüdeking, A. H., Vosegaard, T., Aagaard, A., Bechsgaard, J., Sørensen, J. G. & Bilde, T. (2021). Behavioural and physiological responses to thermal stress in a social spider. Functional Ecology, 35(12), 2728-2742. https://doi.org/10.1111/1365-2435.13921

Sette, M., Johnson, L. A., Jimenez, R. & Mulder, F. A. A. (2023). Backbone ¹H, ¹⁵N and ¹³C resonance assignments of the 27kDa fluorescent protein mCherry. Biomolecular NMR Assignments, 17(2), 243-247. https://doi.org/10.1007/s12104-023-10149-z

Wood, K., Paz, A., Dijkstra, K., Scheek, R. M., Otten, R., Silman, I., Sussman, J. L. & Mulder, F. A. A. (2012). Backbone and side chain NMR assignments for the intrinsically disordered cytoplasmic domain of human neuroligin-3. Biomolecular N M R Assignments, 6(1), 15-8. https://doi.org/10.1007/s12104-011-9315-4

O'Malley, T. T., Oktaviani, N. A., Zhang, D., Lomakin, A., O'Nuallain, B., Linse, S., Benedek, G. B., Rowan, M. J., Mulder, F. A. A. & Walsh, D. M. (2014). Aβ dimers differ from monomers in structural propensity, aggregation paths and population of synaptotoxic assemblies. Biochemical Journal, 461(3), 413-426. https://doi.org/10.1042/BJ20140219

Huynh, T. H. V., Mantel, M., Mikkelsen, K., Lindhardt, A. T., Nielsen, N. C., Otzen, D. & Skrydstrup, T. (2009). A Versatile Approach to β-Amyloid Fibril-Binding Compounds Exploiting the Shirakawa/Hayashi Protocol for trans-Alkene Synthesis. Organic Letters, 11, 999-1002.

Nielsen, J. T., Kulminskaya, N., Bjerring, M. & Nielsen, N. C. (2014). Automated robust and accurate assignment of protein resonances for solid state NMR. Journal of Biomolecular N M R, 59(2), 119-134. https://doi.org/10.1007/s10858-014-9835-1

Afrough, A., Pérez-Mendigorri, M. & Vosegaard, T. (2025). Automated Data Processing Workflows for Non-Expert Users of NMR Facilities. Magnetic Resonance in Chemistry, 63(8), 604-612. https://doi.org/10.1002/mrc.5540

Displaying results 651 to 700 out of 808

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Lise Refstrup Linnebjerg Pedersen