Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Olesen, H. G., Mohr, D., Seweryn, P., Yoshimura, Y., Kutlubaeva, Z., Dolman, F., Chelchessa, B., Chetverin, A. B., Mulder, F. A. A., Brodersen, D. E. & Knudsen, C. R. (2015). Structural basis for RNA-genome recognition during bacteriophage Qβ replication. Nucleic Acids Research, 43(22), 10893-10906. https://doi.org/10.1093/nar/gkv1212
Jensen, S., Jepsen, L., Skibsted, J. & Jensen, T. R. (2015). Study of the NaBH4/KBH4 system with thermal treatment and in-situ PXD. Poster session presented at Danscatt Annual meeting 2015, Aarhus, Denmark.
Scrivener, K. L., Lothenbach, B., De Belie, N., Gruyaert, E., Skibsted, J., Snellings, R. & Vollpracht, A. (2015). TC 238-SCM: hydration and microstructure of concrete with SCMs: State of the art on methods to determine degree of reaction of SCMs. Materials and Structures, 48(4), 835-862. https://doi.org/10.1617/s11527-015-0527-4
Frahm, H., Hansen, S. K., Vad, B. S., Nielsen, E. H., Nielsen, J. T., Vosegaard, T., Skrydstrup, T. & Otzen, D. E. (2015). The natural, peptaibolic peptide SPF-5506-A4 adopts a β-bend spiral structure, shows low hemolytic activity and targets membranes through formation of large pores. Biochimica et Biophysica Acta - Proteins and Proteomics, 1854(8), 882-889. https://doi.org/10.1016/j.bbapap.2015.03.003
Mentink-Vigier, F., Akbey, Ü., Oschkinat, H., Vega, S. & Feintuch, A. (2015). Theoretical aspects of Magic Angle Spinning - Dynamic Nuclear Polarization. Journal of Magnetic Resonance, 258, 102-120. https://doi.org/10.1016/j.jmr.2015.07.001
Skibsted, J., Dai, Z., Enemark-Rasmussen, K. & Garg, N. (2015). Thermal activation and pozzolanic reactivity of calcined clay minerals for applications in Portland cement blends. In 19th IBAUSIL – Internationale Baustofftagung (pp. 191-204). Bauhaus-Universität Weimar.
Kunther, W., Dai, Z. & Skibsted, J. (2015). Thermodynamic modeling of Portland cement - metakaolin - limestone 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. 143-149). Springer. https://doi.org/10.1007/978-94-017-9939-3_18
Kunther, W., Dai, Z. & Skibsted, J. (2015). Thermodynamic modeling of Portland cement – metakaolin – limestone blends. In ICCC 2015 Beijing : the 14th international congress on the chemistry of cement, 13-16 October, 2015: 1 Abstract book (pp. 108-114)
Hong, Z., Nowakowski, M., Spronk, C., Petersen, S. V., Andreasen, P., Koźmiński, W., Mulder, F. & Jensen, J. K. (2015). The solution structure of the MANEC-type domain from Hepatocyte Growth Factor Activator Inhibitor 1 reveals an unexpected PAN/apple domain-type fold. Biochemical Journal, 466(2), 299-309. https://doi.org/10.1042/BJ20141236
Jepsen, L. H., Ley, M. B., Černý, R., Lee, Y.-S., Cho, Y. W., Ravnsbæk, D., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2015). Trends in Syntheses, Structures, and Properties for Three Series of Ammine Rare-Earth Metal Borohydrides, M(BH4)3·nNH3 (M = Y, Gd, and Dy). Inorganic Chemistry, 54(15), 7402-7414. https://doi.org/10.1021/acs.inorgchem.5b00951
Gosalawit-Utke, R., Milanese, C., Javadian, P., Girella, A., Laipple, D., Puszkiel, J., Cattaneo, A. S., Ferrara, C., Wittayakhun, J., Skibsted, J., Jensen, T. R., Marini, A., Klassen, T. & Dornheim, M. (2014). 2LiBH4-MgH2-0.13TiCl4 confined in nanoporous structure of carbon aerogel scaffold for reversible hydrogen storage. Journal of Alloys and Compounds, 599, 78-86. https://doi.org/10.1016/j.jallcom.2014.02.032
Wittenborn, T. R., Larsen, E. K. U., Nielsen, T., Rydtoft, L. M., Hansen, L., Nygaard, J. V., Vorup-Jensen, T., Kjems, J., Horsman, M. R. & Nielsen, N. C. (2014). Accumulation of nano-sized particles in a murine model of angiogenesis. Biochemical and Biophysical Research Communications, 443(2), 470-6. https://doi.org/10.1016/j.bbrc.2013.11.127
Straasø, L. A., Nielsen, J. T., Bjerring, M., Khaneja, N. & Nielsen, N. C. (2014). Accurate measurements of 13C-13C distances in uniformly 13C-labeled proteins using multi-dimensional four-oscillating field solid-state NMR spectroscopy. Journal of Chemical Physics, 141(11), Article 114201. https://doi.org/10.1063/1.4895527
Zhao, B., Xu, P., Jiang, L., Paaske, B., Kromann-Hansen, T., Jensen, J. K., Sørensen, H. P., Liu, Z., Nielsen, J. T., Christensen, A., Hosseini, M., Sørensen, K. K., Nielsen, N. C., Jensen, K. J., Huang, M. & Andreasen, P. A. (2014). A cyclic peptidic serine protease inhibitor: increasing affinity by increasing Peptide flexibility. PLoS One, 9(12), Article e115872. https://doi.org/10.1371/journal.pone.0115872
Lendel, C., Bjerring, M., Dubnovitsky, A., Kelly, R., Filippov, A., Antzutkin, O. N., Nielsen, N. C. & Härd, T. (2014). A Hexameric Peptide Barrel as Building Block of Amyloid-beta Protofibrils. Angewandte Chemie International Edition, 53(47), 12756-12760. https://doi.org/10.1002/anie.201406357
Dai, Z., Tran, T. T. & Skibsted, J. (2014). Aluminum Incorporation in the C-S-H Phase of White Portland Cement-Metakaolin Blends studied by 27Al and 29Si MAS NMR Spectroscopy. Journal of the American Ceramic Society, 97(8), 2662-2671. https://doi.org/10.1111/jace.13006
Jepsen, L. H., Ravnsbæk, D. B., Grundlach, C., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2014). A novel intermediate in the LiAlH4-LiNH2 hydrogen storage system. Dalton Transactions (Print Edition), 43(8), 3095-3103. https://doi.org/10.1039/c3dt52538d
Nørnberg, P., 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. (2014). A possible sink for methane on Mars. http://www.hou.usra.edu/meetings/8thmars2014/pdf/1111.pdf
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
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
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
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., Guérin, B. & Nielsen, N. C. (2014). Constraining local and global SAR in MRI pulse design. Poster session presented at 35th Danish NMR Meeting, Denmark.
Pistidda, C., Karimi, F., Garroni, S., Rzeszutek, A., Bonatto Minella, C., Milanese, C., Le, T. T., Rude, L. H., Skibsted, J., Jensen, T. R., Horstmann, C., Gundlach, C., Tolkiehn, M., Pranzas, P. K., Schreyer, A., Klassen, T. & Dornheim, M. (2014). Effect of the Partial Replacement of CaH2 with CaF2 in the Mixed System CaH2 + MgB2. The Journal of Physical Chemistry Part C, 118(49), 28409-28417. https://doi.org/10.1021/jp508780b
Equbal, A., Paul, S., Mithu, V. S., Madhu, P. K. & Nielsen, N. C. (2014). Efficient Heteronuclear Decoupling in MAS Solid-State NMR using Non-rotor-synchronized rCW Irradiation. Journal of Magnetic Resonance, 246, 104-109. https://doi.org/10.1016/j.jmr.2014.07.006
Basse, K., Jain, S. K., Bakharev, O. N. & Nielsen, N. C. (2014). Efficient Polarization Transfer between Spin-1/2 and 14N Nuclei in Solid-State MAS NMR Spectroscopy. Journal of Magnetic Resonance, 244, 85-89. https://doi.org/10.1016/j.jmr.2014.04.017
Bjerring, M. & Nielsen, N. C. (2014). Forskningscenter: inSPIN Center for Insoluble Protein Structures. Biozoom, 2014(2), 1-9. http://www.biokemi.org/biozoom/issues/534/articles/2453
Lovschall, H., Ranjkesh, B., Illemann, K., Birn, L. B. & Skibsted, J. (2014). Gillmore testing of initial setting-time: iMTA, Dycal Biodentine and MTA.
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
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
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
Hansen, S. K., Vestergaard, M., Thøgersen, L., Schiøtt, B., Nielsen, N. C. & Vosegaard, T. (2014). Lipid Dynamics Studied by Calculation of 31P Solid-State NMR Spectra Using Ensembles from Molecular Dynamics Simulations. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 118(19), 5119-5129. https://doi.org/10.1021/jp5000304
Jain, S. K., Nielsen, A. B., Hiller, M., Handel, L., Ernst, M., Oschkinat, H., Akbey, Ü. & Nielsen, N. C. (2014). Low-power polarization transfer between deuterons and spin-1/2 nuclei using adiabatic (RESPIRATION)CP in solid-state NMR. Physical Chemistry Chemical Physics, 16(7), 2827-30. https://doi.org/10.1039/c3cp54419b
Jakobsen, H. J., Bildsoe, H., Beekman, M., Stefanoski, S., Nolas, G. S. & Bowers, C. R. (2014). Low-Temperature 23Na MAS NMR Reveals Dynamic Effects and Compositions for the Large and Small Channels in the Zeolite-Like Ge-Framework of Na1-xGe3+Z Materials. The Journal of Physical Chemistry Part C, 118(49), 28890-28897. https://doi.org/10.1021/jp509978j
Sørensen, M. K., Bakharev, O., Jensen, O., Jakobsen, H. J., Skibsted, J. & Nielsen, N. C. (2014). Magic-angle spinning solid-state multinuclear NMR on low-field instrumentation. Journal of Magnetic Resonance, 238, 20-25. https://doi.org/10.1016/j.jmr.2013.10.015
Nielsen, T. K., Javadian, P., Polanski, M., Besenbacher, F., Bystrzycki, J., Skibsted, J. & Jensen, T. R. (2014). Nanoconfined of NaAlH4: Prolific effects from increased surface area and pore volume. Nanoscale, 6(1), 599-607. https://doi.org/10.1039/c3nr03538g
Nørby, P., Overgaard, J., Sigaard Christensen, P., Richter, B., Song, X., Dong, MD., Han, A., Skibsted, J., Iversen, B. B. & Johnsen, S. (2014). (NH4)4Sn2S6·3H 2O: Crystal structure, thermal decomposition, and precursor for textured thin film. Chemistry of Materials, 26(15), 4494-4504. https://doi.org/10.1021/cm501681r
Vosegaard, T. & Nielsen, N. C. (2014). NMR Investigations of the Structure and Dynamics of Antimicrobial Peptides: The Peptaibol Alamethicin. In F. Separovic & A. Naito (Eds.), Advances in Biological Solid-State NMR: Proteins and Membrane-Active Peptides (pp. 267-286). Royal Society of Chemistry. https://doi.org/10.1039/9781782627449-00267
Sørensen, M. K., Vinding, M. S., Bakharev, O. N., Nesgaard, T., Jensen, O. & Nielsen, N. C. (2014). NMR Sensor for Onboard Ship Detection of Catalytic Fines in Marine Fuel Oil. Analytical Chemistry, 86(15), 7205-7208. https://doi.org/10.1021/ac5014496
Kirkegaard, K., Svane, A. S. P., Nielsen, J. S., Hindkjær, J. J., Nielsen, N. C. & Ingerslev, H. J. (2014). Nuclear magnetic resonance metabolomic profiling of Day 3 and 5 embryo culture medium does not predict pregnancy outcome in good prognosis patients: a prospective cohort study on single transferred embryos. Human reproduction (Oxford, England), 29(11), 2413-20. https://doi.org/10.1093/humrep/deu236
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
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
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
Jakobsen, H. J., Bildsoe, H., Brorson, M., Gan, Z. & Hung, I. (2014). Quantitative Dynamics and Structure for Crystalline Cs2WO4 and KMnO4 Determined from High-Field 17O Variable-Temperature MAS NMR Experiments. The Journal of Physical Chemistry Part C, 118(35), 20639-20646. https://doi.org/10.1021/jp505522a
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
Laustsen, C., Bowen, S., Sloth Vinding, M., Nielsen, N. C. & Ardenkjær-Larsen, J. H. (2014). Storage of magnetization as singlet order by optimal control designed pulses. Magnetic Resonance in Medicine, 71(3), 921–926. https://doi.org/10.1002/mrm.24733
Jepsen, L. H., Ban, V., Møller, K. T., Lee, Y.-S., Cho, Y. W., Besenbacher, F., Filinchuk, Y., Skibsted, J. & Jensen, T. R. (2014). Synthesis, Crystal Structure, Thermal Decomposition, and 11B MAS NMR Characterization of Mg(BH4)2(NH3BH 3)2. The Journal of Physical Chemistry Part C, 118(23), 12141-12153. https://doi.org/10.1021/jp502788j
Risør, M. W., Poulsen, E. T., Thomsen, L. R., Dyrlund, T. F., Nielsen, T. A., Nielsen, N. C., Sanggaard, K. W. & Enghild, J. J. (2014). The autolysis of human HtrA1 is governed by the redox state of its N-terminal domain. Biochemistry, 53(23), 3851-3857. https://doi.org/10.1021/bi401633w
Garg, N. & Skibsted, J. (2014). Thermal activation of a pure montmorillonite clay and its reactivity in cementitious systems. The Journal of Physical Chemistry Part C, 118(21), 11464-11477. https://doi.org/10.1021/jp502529d
Chu, B. C. H., Otten, R., Krewulak, K. D., Mulder, F. A. A. & Vogel, H. J. (2014). The Solution Structure, Binding Properties, and Dynamics of the Bacterial Siderophore-binding Protein FepB. Journal of Biological Chemistry, 289(42), 29219-29234. https://doi.org/10.1074/jbc.M114.564021

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen