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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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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.

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. Advance online publication. https://doi.org/10.1002/mrc.5540

Equbal, A., Bjerring, M., Madhu, P. K. & Nielsen, N. C. (2015). A unified heteronuclear decoupling strategy for magic-angle-spinning solid-state NMR spectroscopy. Journal of Chemical Physics, 142(18), Article 184201. https://doi.org/10.1063/1.4919634

Sharma, K., Equbal, A., Nielsen, N. C. & Madhu, P. K. (2019). A unified heteronuclear decoupling picture in solid-state NMR under low radio-frequency amplitude and fast magic-angle-spinning frequency regime. Journal of Chemical Physics, 150(14), Article 144201. https://doi.org/10.1063/1.5082352

Vosegaard, T., Hald, E., Christensen, P. D. & Jakobsen, H. J. (1999). A two-axis goniometer for sensitivity enhancement in single-crystal nuclear magnetic resonance spectroscopy. Review of Scientific Instruments, 70(3), 1771-1779. https://doi.org/10.1063/1.1149667

Juel, I., Herfort, D., Gollop, R., Konnerup-Madsen, J., Jakobsen, H. J. & Skibsted, J. (2003). A thermodynamic model for predicting the stability of thaumasite. Cement Concrete Comp, 25, 867-872. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-49NVGWW-1-H&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c& wchp=dGLbVtb-zSkWb&_acct=C000034578&_version=1&_userid=642076&md5=77425a3e0e1a20826942ceed2924c3c8&ie=f.pdf

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.

Jakobsen, H. J., Bildsøe, H. K., Skibsted, J., Brorson, M., Gor'kov, P. & Gan, Z. (2010). A strategy for acquisition and analysis of complex natural-abundance ³³S solid-state NMR spectra of a disordered tetrathio transition-metal anion. Journal of Magnetic Resonance, 202, 173-179. https://doi.org/10.1016/j.jmr.2009.11.001

Laustsen, C., Østergaard, J., Lauritzen, M. H., Nørregaard, R., Ringgaard, S., Søgaard, L. V.-C., Bowen, S., Nielsen, N. C., Flyvbjerg, A., Pedersen, M. & Ardenkjær-Larsen, J. H. (2012). Assessment of diabetic nephropathy with Hyperpolarized [1-13C]Pyruvate. In ISMRM

Avanti, C., Oktaviani, N. A., Hinrichs, W. L. J., Frijlink, H. W. & Mulder, F. A. A. (2013). Aspartate buffer and divalent metal ions affect oxytocin in aqueous solution and protect it from degradation. International Journal of Pharmaceutics, 444(1-2), 139-145. https://doi.org/10.1016/j.ijpharm.2013.01.051

Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2004). A solid-state ¹⁴N magic-angle spinning NMR study of some amino acids. Journal of Magnetic Resonance, 166, 262-272.

Maximov, I. I., Salomon, J., Turinici, G. & Nielsen, N. C. (2010). A smoothing monotonic convergent optimal control algorithm for nuclear magnetic resonance pulse sequence design. Journal of Chemical Physics, 132(8). https://doi.org/10.1063/1.3328783

Jensen, S. K., 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. & Nørnberg, P. (2014). A sink for methane on Mars? The answer is blowing in the wind. Icarus, 236, 24-27. https://doi.org/10.1016/j.icarus.2014.03.036

Vinding, M. S., Kessler, T. O. & Vosegaard, T. (2016). A Single-Crystal NMR Kit for Your Existing NMR Probe. Poster session presented at EUROMAR 2016, Aarhus, Denmark.

Vinding, M. S., Kessler, T. O. & Vosegaard, T. (2016). A Simple Low-Cost Single-Crystal NMR Setup. Journal of Magnetic Resonance, 269, 120-127. https://doi.org/10.1016/j.jmr.2016.06.004

Bomholdt Ravnsbæk, D., Filinchuk, Y., Cerenius, Y., Jakobsen, H. J., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2009). A series of novel alkali zinc borohydrides for hydrogen storage. Poster session presented at 2nd Danscatt meeting, Lyngby, Denmark.

Ravnsbæk, D., Filinchuk, Y., Cerenius, Y., Jakobsen, H. J., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2009). A series of mixed-metal borohydrides. Angewandte Chemie International Edition, 48, 6659-6663.

Jensen, R. W. M. & Skibsted, J. (2025). Aqueous Carbonation of Calcium Silicates With Different Ca/Si Ratios Studied by Solid-State NMR Spectroscopy. Magnetic Resonance in Chemistry, 63(7), 476-494. https://doi.org/10.1002/mrc.5528

Mariz Maia Neto, F., Snellings, R. & Skibsted, J. (2024). Aqueous carbonation of aged blended Portland cement pastes: Impact of the Al/Si ratio on the structure of the alumina-silica gel. Cement and Concrete Research, 177, Article 107428. https://doi.org/10.1016/j.cemconres.2024.107428

Joseph, S., Skibsted, J. & Cizer, Ö. (2019). A quantitative study of the C₃A hydration. Cement and Concrete Research, 115, 145-159. https://doi.org/10.1016/j.cemconres.2018.10.017

Jensen, S. K., Bregnhøj, M., Thøgersen, J., Nørnberg, P., Nielsen, A. B., Skibsted, J. & Finster, K. (2023). A putative mechanism for capture of carbon dioxide by quartz, mediated by triboelectric charging. Chemical Physics Letters, 816, Article 140395. https://doi.org/10.1016/j.cplett.2023.140395

Displaying results 651 to 700 out of 787

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Revised 17.04.2023

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Lise Refstrup Linnebjerg Pedersen