Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Vosegaard, T. & Nielsen, N. C. (2004). Improved pulse sequences for pure exchange solid-state NMR spectroscopy. Magn. Reson. Chem., 42(2), 285-290.
Nielsen, T. K., Polanski, M., Zasada, D., Javadian, P., Besenbacher, F., Bystrzycki, J., Skibsted, J. & Jensen, T. R. (2011). Improved Hydrogen Storage Kinetics of Nanoconfined NaAlH4 Catalyzed with TiCl3 Nanoparticles. ACS Nano, 5(5), 4056-4064. https://doi.org/10.1021/nn200643b
Nielsen, T. K., Polanski, M., Hansen, B. R. S., Tolborg, S., Bomholdt Ravnsbæk, D., Besenbacher, F., Bystrzycki, J., Skibsted, J. & Jensen, T. R. (2012). Improved Hydrogen Storage Kinetics of nanoconfined LiBH4-mgH2 reactive hydride composites catalyzed with nickel nanoparticles. Materials Research Society Symposium Proceedings, 1441. https://doi.org/10.1557/opl.2012.1189
Vosegaard, T., Hald, E., Langer, V., Skov, H. J., Christensen, P. D., Bildsøe, H. & Jakobsen, H. J. (1998). Improved Hardware and Software for Single-Crystal NMR Spectroscopy. Journal of Magnetic Resonance, 135(1), 126-132. https://doi.org/10.1006/jmre.1998.1551
Vosegaard, T., Kehlet, C. T., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2005). Improved excitation schemes for multiple-quantum magic-angle spinning for quadrupolar nuclei designed using optimal control theory. Journal of the American Chemical Society, 127, 13768-13769.
Bellmann, F., Damidot, D., Möser, B. & Skibsted, J. (2010). Improved evidence for the existence of an intermediate phase during hydration of tricalcium silicate. Cement and Concrete Research, 40, 875-884.
Qoku, E., Bier, T. A., Schmidt, G. & Skibsted, J. (2022). Impact of sulphate source on the hydration of ternary pastes of Portland cement, calcium aluminate cement and calcium sulphate. Cement and Concrete Composites, 131, Article 104502. https://doi.org/10.1016/j.cemconcomp.2022.104502
Nie, S., Thomsen, R. M. & Skibsted, J. (2020). Impact of Mg substitution on the structure and pozzolanic reactivity of calcium aluminosilicate (CaO-Al2O3-SiO2) glasses. Cement and Concrete Research, 138, Article 106231. https://doi.org/10.1016/j.cemconres.2020.106231
Song, J., Zajac, M., Haha, M. B. & Skibsted, J. (2025). Impact of Ca/Si and Al/Si ratios on the composition and structure of the alumina-silica gel formed by wet carbonation of synthesized C-S-H in blends with portlandite and ettringite. Cement and Concrete Research, 197, Article 107931. https://doi.org/10.1016/j.cemconres.2025.107931
Khazaee, A., Jahanshahi, R., Sobhani, S., Skibsted, J. & Sansano, J. M. (2020). Immobilized piperazine on the surface of graphene oxide as a heterogeneous bifunctional acid-base catalyst for the multicomponent synthesis of 2-amino-3-cyano-4H -chromenes. Green Chemistry, 22(14), 4604-4616. https://doi.org/10.1039/d0gc01274b
Sobhani, S., Zarifi, F. & Skibsted, J. (2017). Immobilized Lanthanum(III) Triflate on Graphene Oxide as a New Multifunctional Heterogeneous Catalyst for the One-Pot Five-Component Synthesis of Bis(pyrazolyl)methanes. ACS Sustainable Chemistry & Engineering, 5(6), 4598-4606. https://doi.org/10.1021/acssuschemeng.6b03047
Vu-Quang, H., Vinding, M. S., Jakobsen, M., Song, P., Dagnaes-Hansen, F., Nielsen, N. C. & Kjems, J. (2019). Imaging rheumatoid arthritis in mice using combined near infrared and 19F magnetic resonance modalities. Scientific Reports, 9, Article 14314. https://doi.org/10.1038/s41598-019-50043-0
Ruiz-Santaquiteria, C. & Skibsted, J. (2018). Identification of reactive sites in calcined kaolinite and montmorillonite from a combination of chemical methods and solid-state nmr spectroscopy. In F. Martirena , A. Favier & K. Scrivener (Eds.), Calcined Clays for Sustainable Concrete - Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete (Vol. 16, pp. 404-408). Springer. https://doi.org/10.1007/978-94-024-1207-9_65
Holzinger, J., Nielsen, M., Beato, P., Brogaard, R. Y., Buono, C., Dyballa, M., Falsig, H., Skibsted, J. & Svelle, S. (2019). Identification of Distinct Framework Aluminum Sites in Zeolite ZSM-23: A Combined Computational and Experimental 27 Al NMR Study. Journal of Physical Chemistry C, 123(13), 7831-7844. https://doi.org/10.1021/acs.jpcc.8b06891
König, A., Schölzel, D., Uluca, B., Viennet, T., Akbey, Ü. & Heise, H. (2019). Hyperpolarized MAS NMR of unfolded and misfolded proteins. Solid State Nuclear Magnetic Resonance, 98, 1-11. https://doi.org/10.1016/j.ssnmr.2018.12.003
Taasti, K. I., Christensen, A. N., Norby, P., Hanson, J. C., Lebech, B., Jakobsen, H. J. & Skibsted, J. (2002). Hydrothermal synthesis, single-crystal structure analysis, and solid-state NMR characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). Journal of Solid State Chemistry, 164, 42-50.
Jepsen, L., Skibsted, J. & Jensen, T. R. (2012). Hydrogen storage properties in the LiAlH4-LiNH2 system.
Hansen, B. R. S., Ravnsbæk, D., Skibsted, J., Gundlach, C. & Jensen, T. R. (2013). Hydrogen storage in LiBH4-MgH2-Al. Poster session presented at Gordon Research Conference Hydrogen-Metal Systems, Barga, Italy.
Hansen, B. R. S., Ravnsbæk, D. B., Reed, D., Book, D., Gundlach, C., Skibsted, J. & Jensen, T. R. (2013). Hydrogen Storage Capacity Loss in a LiBH4-Al Composite. The Journal of Physical Chemistry Part C, 117(15), 7423-7432. https://doi.org/10.1021/jp312480h
Hansen, B. R. S., Jensen, T. R., Skibsted, J. & Ravnsbæk, D. (2013). Hydrogen storage and reversibility in composite systems. Poster session presented at Student conference on Hydrogen and Fuel Cells, København, Denmark.
Saldan, I., Schulze, M., Pistidda, C., Gosalawit-Utke, R., Zavorotynska, O., Rude, L. H., Skibsted, J., Haase, D., Cerenius, Y., Jensen, T. R., Spoto, G., Baricco, M., Taube, K. & Dornheim, M. (2013). Hydrogen sorption in the LiH-LiF-MgB2 system. The Journal of Physical Chemistry Part C, 117(33), 17360-17366. https://doi.org/10.1021/jp405856s
Hansen, B. R. S., Bomholdt Ravnsbæk, D., Skibsted, J. & Jensen, T. R. (2014). Hydrogen reversibility of LiBH4-MgH2-Al composites. Physical Chemistry Chemical Physics, 16(19), 8970-8980. https://doi.org/10.1039/c4cp00651h
Rude, L. H., Filsø, U., D’Anna, V., Spyratou, A., Richter, B., Hino, S., Zavorotynska, O., Baricco, M., Sørby, M. H., Hauback, B. C., Hagemann, H., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2013). Hydrogen–fluorine exchange in NaBH4–NaBF4. Physical Chemistry Chemical Physics, 15, 18185-18194. https://doi.org/10.1039/c3cp52815d
Penner, R., Andersen, E. S., Jensen, J. L., Kantcheva, A. K., Bublitz, M., Nissen, P., Rasmussen, A. M. H., Svane, K. L., Hammer, B., Rezazadegan, R., Nielsen, N. C., Nielsen, J. T. & Andersen, J. E. (2014). Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture. Nature Communications, 5, Article 5803. https://doi.org/10.1038/ncomms6803
Jensen, S. R. H., Paskevicius, M., Hansen, B. R. S., Jakobsen, A. S., Møller, K. T., White, J. L., Allendorf, M. D., Stavila, V., Skibsted, J. & Jensen, T. R. (2018). Hydrogenation properties of lithium and sodium hydride- closo -borate, [B10H10]2- and [B12H12]2-, composites. Physical Chemistry Chemical Physics, 20(23), 16266-16275. https://doi.org/10.1039/c7cp07776a
Krøyer, H., Lindgreen, H., Jakobsen, H. J. & Skibsted, J. (2003). Hydration of Portland cement in the presence of clay minerals studied by 29Si and 27Al MAS NMR spectroscopy. Advances in Cement Research, 15, 103-112.
Joseph, S., Skibsted, J. & Cizer, Ö. (2020). Hydration of polyphase Ca3SiO5-Ca3Al2O6 in the presence of gypsum and Na2SO4. Journal of the American Ceramic Society, 103(11), 6461-6474. https://doi.org/10.1111/jace.17321
Moesgaard, M., Poulsen, S. L., Herfort, D., Steenberg, M., Kirkegaard, L. F., Skibsted, J. & Yue, Y. (2012). Hydration of Blended Portland Cements Containing Calcium-Aluminosilicate Glass Powder and Limestone. Journal of the American Ceramic Society, 95, 403-409.
Zunino, F., Dhandapani, Y., Ben Haha, M., Skibsted, J., Joseph, S., Krishnan, S., Parashar, A., Juenger, M. C. G., Hanein, T., Bernal, S. A., Scrivener, K. L. & Avet, F. (2022). Hydration and mixture design of calcined clay blended cements: review by the RILEM TC 282-CCL. Materials and Structures/Materiaux et Constructions, 55(9), Article 234. https://doi.org/10.1617/s11527-022-02060-1
Pedersen, M. T., Lothenbach, B., Winnefeld, F. & Skibsted, J. (2018). Hydrate Phase Assemblages in Calcium Sulfoaluminate - Metakaolin - Limestone Blends. In Calcined Clays for Sustainable Concrete - Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete: Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete (Vol. 16, pp. 352-357). Springer. https://doi.org/10.1007/978-94-024-1207-9_57
Pedersen, M. T. & Skibsted, J. (2016). Hydrate Phase Assemblages in Blends of Ye’elimite and Gypsum with Alite and Belite. In 2nd International Conference on the Chemistry of Construction Materials (pp. 316-319)
Pedersen, M. T. & Skibsted, J. (2016). Hydrate Phase Assemblages in Blends of Ye'elimite and Gypsum with Alite and Belite. Poster session presented at 2nd International Conference on the Chemistry of Construction Materials, München, Germany.
López, S. A. B., Herfort, D. & Skibsted, J. (2011). Hybrid binders based on alkali sulfate-activated Portland clinker and metakaolin. XIII International Congress on the Chemistry of Cement, 141.
Runager, K., Basaiawmoit, R. V., Deva, T., Andreasen, M., Valnickova, Z., Sørensen, C. S., Karring, H., Thøgersen, I. B., Christiansen, G., Underhaug, J., Kristensen, T., Nielsen, N. C., Klintworth, G. K., Otzen, D. E. & Enghild, J. J. (2011). Human Phenotypically Distinct TGFBI Corneal Dystrophies Are Linked to the Stability of the Fourth FAS1 Domain of TGFBIp. Journal of Biological Chemistry, 286(7), 4951-8. https://doi.org/10.1074/jbc.M110.181099
Waagner, D., Heckmann, L.-H., Malmendal, A., Nielsen, N. C., Holmstrup, M. & Bayley, M. (2010). Hsp70 expression and metabolite composition in response to short-term thermal changes in Folsomia candida (Collembola). Comparative Biochemistry and Physiology -Part A : Molecular and Integrative Physiology, 157, 177-183. https://doi.org/10.1016/j.cbpa.2010.06.171
Hoffmann, F., Mulder, F. A. A. & Schäfer, L. V. (2022). How Much Entropy Is Contained in NMR Relaxation Parameters? Journal of Physical Chemistry B, 126(1), 54-68. https://doi.org/10.1021/acs.jpcb.1c07786
Xue, M., Wakamoto, T., Kejlberg, C., Yoshimura, Y., Nielsen, T. A., Risør, M. W., Sanggaard, K. W., Kitahara, R. & Mulder, F. A. A. (2019). How internal cavities destabilize a protein. Proceedings of the National Academy of Sciences (PNAS), 116(42), 21031-21036. https://doi.org/10.1073/pnas.1911181116
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. (2016). How Glycosaminoglycans Promote Fibrillation of Salmon Calcitonin. Journal of Biological Chemistry, 291(32), 16849-16862. https://doi.org/10.1074/jbc.M116.715466
Lorenzen, N., Nielsen, S. B., Yoshimura, Y., Vad, B. S., Andersen, C. B., Betzer, C., Kaspersen, J. D., Christiansen, G., Pedersen, J. S., Jensen, P. H., Mulder, F. A. A. & Otzen, D. E. (2014). How epigallocatechin gallate can inhibit α-synuclein oligomer toxicity in vitro. Journal of Biological Chemistry, 289(31), 21299-21310. https://doi.org/10.1074/jbc.M114.554667
Andersen, C. B., Yoshimura, Y., Nielsen, J., Otzen, D. E. & Mulder, F. A. A. (2021). How epigallocatechin gallate binds and assembles oligomeric forms of human alpha-synuclein. The Journal of Biological Chemistry, 296, Article 100788. https://doi.org/10.1016/j.jbc.2021.100788
Vestergaard, M., Christensen, M., Hansen, S. K., Gronvall, D., Kjolbye, L. R., Vosegaard, T. & Schiott, B. (2017). How a short pore forming peptide spans the lipid membrane. Biointerphases, 12(2), Article 02D405. https://doi.org/10.1116/1.4982642
Pinilla-Herrero, I., Borfecchia, E., Holzinger, J., Mentzel, U. V., Joensen, F., Lomachenko, K. A., Bordiga, S., Lamberti, C., Berlier, G., Olsbye, U., Svelle, S., Skibsted, J. & Beato, P. (2018). High Zn/Al ratios enhance dehydrogenation vs hydrogen transfer reactions of Zn-ZSM-5 catalytic systems in methanol conversion to aromatics. Journal of Catalysis, 362, 146-163. https://doi.org/10.1016/j.jcat.2018.03.032
Balsgart, N. M., Mulbjerg, M., Guo, Z., Bertelsen, K. & Vosegaard, T. (2016). High Throughput Identification and Quantification of Phospholipids in Complex Mixtures. Analytical Chemistry, 88(4), 2170-2176. https://doi.org/10.1021/acs.analchem.5b03798
Vosegaard, T. & Massiot, D. (2007). High-resolution two-dimensional NMR spectra of half-integer-spin quadrupolar nuclei from one-dimensional projections. Chemical Physics Letters, 437, 120-125. https://doi.org/10.1016/j.cplett.2007.01.077
Equbal, A., Basse, K. & Nielsen, N. C. (2016). Highly efficient F-19 heteronuclear decoupling in solid-state NMR spectroscopy using supercycled refocused-CW irradiation. Physical Chemistry Chemical Physics, 18(45), 30990-30997. https://doi.org/10.1039/c6cp06574k
Jakobsen, H. J., Bildsøe, H. K., Brorson, M., Wu, G., Gor'kov, P. L., Gan, Z. & Hung, I. (2015). High-Field 17O MAS NMR Reveals 1J(17O-127I) with its Sign and the NMR Crystallography of the Scheelite Structures for NaIO4 and KIO4. The Journal of Physical Chemistry Part C, 119(25), 14434-14442. https://doi.org/10.1021/acs.jpcc.5b03721
Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1998). High-field QCPMG-MAS NMR of half-integer quadrupolar nuclei with large quadrupole couplings. Molecular Physics, 95, 1185-1195.
Bjerring, M., Nielsen, A. B., Tosner, Z. & Nielsen, N. C. (2010). Heteronuclear dipolar recoupling in biological solid-state NMR without simultaneous 1H decoupling. Poster session presented at ICMRBS 2010, Cairns, Australia.
Equbal, A., Bjerring, M., Sharma, K., Madhu, P. K. & Nielsen, N. C. (2016). Heteronuclear decoupling in MAS NMR in the intermediate to fast sample spinning regime. Chemical Physics Letters, 644, 243-249. https://doi.org/10.1016/j.cplett.2015.12.014
Vosegaard, T., Kamihira-Ishijima, M., Watts, A. & Nielsen, N. C. (2008). Helix conformations in 7TM membrane proteins determined using oriented-sample solid-state NMR with multiple residue-specific 15N labeling. Biophysical Journal, 94, 241-250. https://doi.org/10.1529/biophysj.107.116004

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen