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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Skibsted, J., Sevelsted, T. F., Poulsen, S. L. & Tran, T. T. (2012). Degree of reaction and guest-ion incorporation in Portland cement, SCM mixtures studied by solid-state NMR spectroscopy. Paper presented at 18th IBAUSIL, Weimar, Germany.

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

Sommer, S., Iversen, B. B., Lock, N., Skibsted, J., Kasai, H. & Bøjesen, E. D. (2019). Defects wrongly modelled as inversion: The case of ZnAl₂O₄ spinels . Poster session presented at european crystallographic meeting , Wien, Austria.

Karasawa, A., Erkens, G. B., Berntsson, R. P.-A., Otten, R., Schuurman-Wolters, G. K., Mulder, F. A. A. & Poolman, B. (2011). Cystathionine β-synthase (CBS) domains 1 and 2 fulfill different roles in ionic strength sensing of the ATP-binding cassette (ABC) transporter OpuA. Journal of Biological Chemistry, 286(43), 37280-91. https://doi.org/10.1074/jbc.M111.284059

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.

Olsen, W. P., Courtade, G., Peña-Díaz, S., Nagaraj, M., Sønderby, T. V., Mulder, F. A. A., Malle, M. G. & Otzen, D. E. (2024). CsgA gatekeeper residues control nucleation but not stability of functional amyloid. Protein Science, 33(10), Article e5178. https://doi.org/10.1002/pro.5178

Vosegaard, T., Byriel, I. P., Pawlak, D. A., Wozniak, K. & Jakobsen, H. J. (1998). Crystal Structure Studies on the Garnet Y₃Al₅O₁₂ by ²⁷Al Single-Crystal NMR Spectroscopy. Journal of the American Chemical Society, 120(31), 7900-7904. https://doi.org/10.1021/ja980443r

Vosegaard, T., Byriel, I. P., Binet, L., Massiot, D. & Jakobsen, H. J. (1998). Crystal Structure Studies by Single-Crystal NMR Spectroscopy. ⁷¹Ga and ⁶⁹Ga Single-Crystal NMR of β-Ga₂O₃ Twins. Journal of the American Chemical Society, 120(32), 8184-8188. https://doi.org/10.1021/ja981666k

Nielsen, U. G., Jakobsen, H. J., Skibsted, J. & Norby, P. (2001). Crystal structure of α-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy. Chem. Soc. Dalton Trans., 3214-3218.

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

Haist, M., Divoux, T., Krakowiak, K. J., Skibsted, J., Pellenq, R. J. M., Müller, H. S. & Ulm, F. J. (2021). Creep in reactive colloidal gels: A nanomechanical study of cement hydrates. Physical Review Research , 3(4), Article 043127. https://doi.org/10.1103/PhysRevResearch.3.043127

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. O., Akbey, Ü., Aussenac, F., Olsen, G. L., Feintuch, A., Oschkinat, H. & Frydman, L. (2016). Cover Picture: On The Potential of Dynamic Nuclear Polarization Enhanced Diamonds in Solid-State and Dissolution ¹³C NMR Spectroscopy (ChemPhysChem 17/2016). ChemPhysChem, 17(17), 2609. https://doi.org/10.1002/cphc.201600878

Zajac, M., Skocek, J., Skibsted, J. & Ben Haha, M. (2021). Co₂ mineralization of demolished concrete wastes into a supplementary cementitious material – a new ccu approach for the cement industry. RILEM Technical Letters, 6, 53-60. https://doi.org/10.21809/rilemtechlett.2021.141

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

Malmos, K. G., Bjerring, M., Jessen, C. M., Nielsen, E. H. T., Poulsen, E. T., Christiansen, G., Vosegaard, T., Skrydstrup, T., Enghild, J. J., Pedersen, J. S. & Otzen, D. E. (2017). Correction to: How glycosaminoglycans promote fibrillation of salmon calcitonin. Journal of Biological Chemistry, 292(38), 15992. https://doi.org/10.1074/jbc.A116.715466

Srivastava, D., Vosegaard, T., Massiot, D. & Grandinetti, P. J. (2020). Core Scientific Dataset Model: A lightweight and portable model and file format for multi-dimensional scientific data. PLoS One, 15(1), Article e0225953. https://doi.org/10.1371/journal.pone.0225953

Koppe, J., Yakimov, A. V., Gioffrè, D., Usteri, M. E., Vosegaard, T., Pintacuda, G., Lesage, A., Pell, A. J., Mitchell, S., Pérez-Ramírez, J. & Copéret, C. (2025). Coordination environments of Pt single-atom catalysts from NMR signatures. Nature, 642(8068), 613-619. https://doi.org/10.1038/s41586-025-09068-x

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

Hass, M. A. S. & Mulder, F. A. A. (2015). Contemporary NMR Studies of Protein Electrostatics. Annual Review of Biophysics, 44, 53-75. https://doi.org/10.1146/annurev-biophys-083012-130351

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.

Erdemi, H., Akbey, Ü. & Meyer, W. H. (2010). Conductivity behavior and solid state NMR investigation of imidazolium-based polymeric ionic liquids. Solid State Ionics, 181(35-36), 1586-1595. https://doi.org/10.1016/j.ssi.2010.08.018

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.

Oktaviani, N. A., Pool, T. J., Kamikubo, H., Slager, J., Scheek, R. M., Kataoka, M. & Mulder, F. A. A. (2012). Comprehensive determination of protein tyrosine pKa values for photoactive yellow protein using indirect 13C NMR spectroscopy. Biophysical Journal, 102(3), 579-86. https://doi.org/10.1016/j.bpj.2011.12.024

Rodriguez, E. T., Richardson, I. G., Black, L., Boehm-Courjault, E., Nonat, A. & Skibsted, J. (2015). Composition, silicate anion structure and morphology of calcium silicate hydrates (C-S-H) synthesised by silica-lime reaction and by controlled hydration of tricalcium silicate (C₃S). Advances in Applied Ceramics, 114(7), 362-371. https://doi.org/10.1179/1743676115Y.0000000038

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.

Zajac, M., Song, J., Skocek, J., Ben Haha, M. & Skibsted, J. (2023). Composite cements with aqueous and semi-dry carbonated recycled concrete pastes. Construction and Building Materials, 407, Article 133362. https://doi.org/10.1016/j.conbuildmat.2023.133362

Steenberg, M., Herfort, D., Poulsen, S. L., Skibsted, J. & Damtoft, J. S. (2011). Composite cement based on Portland cement clinker, limestone and calcined clay. XIII International Congress on the Chemistry of Cement, 97.

Enemark-Rasmussen, K., Moesgaard, M., Køhler, L. L., Tran, T. T. & Skibsted, J. (2015). Comparison of the pozzolanic reactivity for flash and soak calcined clays in Portland cement blends. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 151-157). Springer. https://doi.org/10.1007/978-94-017-9939-3_19

Bertram, H. C., Jakobsen, H. J. & Andersen, H. J. (2004). Combined High-Field ¹³C CP MAS NMR and Low-Field NMR Relaxation Measurements on Post Mortem Porcine Muscles. Journal of Agricultural and Food Chemistry, 52, 3159-3164.

Vosegaard, T., Skibsted, J., Bildsøe, H. & Jakobsen, H. J. (1995). Combined Effect of second-Order Quadrupole Coupling and Chemical Shielding Anisotropy on the Central Transition in MAS NMR of Quadrupolar Nuclei. ⁸⁷Rb MAS NMR of RbClO₄. Journal of Physical Chemistry, 99(27), 10731-10735. https://doi.org/10.1021/j100027a009

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. Journal of Dairy Science, 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 and 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

Zajac, M., Lechevallier, A., Durdzinski, P., Bullerjahn, F., Skibsted, J. & Ben Haha, M. (2020). CO2 mineralisation of Portland cement: Towards understanding the mechanisms of enforced carbonation. Journal of CO2 Utilization, 38, 398-415. https://doi.org/10.1016/j.jcou.2020.02.015

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

Gomez, C. R. S. Q., Fernández-Jiménez, A., Skibsted, J. & Palomo, A. (2013). Clay reactivity: Production of alkali activated cements. Applied Clay Science, 73, 11-16. https://doi.org/10.1016/j.clay.2012.10.012

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Lise Refstrup Linnebjerg Pedersen