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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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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

Narita, A., Verzhbitskiy, I. A., Frederickx, W., Mali, K. S., Jensen, S. A., Hansen, M. R., Bonn, M., De Feyter, S., Casiraghi, C., Feng, X. & Müllen, K. (2014). Bottom-Up Synthesis of Liquid-Phase-Processable Graphene Nanoribbons with Near-Infrared Absorption. ACS Nano, 8(11), 11622-11630. https://doi.org/10.1021/nn5049014

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.

El Gemayel, M., Narita, A., Dössel, L. F., Sundaram, R. S., Kiersnowski, A., Pisula, W., Hansen, M. R., Ferrari, A. C., Orgiu, E., Feng, X., Müllen, K. & Samorì, P. (2014). Graphene nanoribbon blends with P3HT for organic electronics. Nanoscale, 6(12), 6301-6314. https://doi.org/10.1039/c4nr00256c

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

Miloskovska, E., Hansen, M. R., Friedrich, C., Hristova-Bogaerds, D., Van Duin, M. & De With, G. (2014). In Situ Silica Nanoparticle Formation in a Rubber Matrix Monitored via Real-Time SAXS and Solid-State NMR Spectroscopy. Macromolecules, 47(15), 5174-5185. https://doi.org/10.1021/ma500594a

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 Na_1-xGe_3+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

Krogsgaard, M., Hansen, M. R. & Birkedal, H. (2014). Metals & polymers in the mix: fine-tuning the mechanical properties & color of self-healing mussel-inspired hydrogels. Journal of Materials Chemistry B, 2(47), 8292-8297. https://doi.org/10.1039/c4tb01503g

Kins, C. F., Sengupta, E., Kaltbeitzel, A., Wagner, M., Lieberwirth, I., Spiess, H. W. & Hansen, M. R. (2014). Morphological anisotropy and proton conduction in multiblock copolyimide electrolyte membranes. Macromolecules, 47(8), 2645-2658. https://doi.org/10.1021/ma500253s

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

Warnan, J., Cabanetos, C., Labban, A. E., Hansen, M. R., Tassone, C., Toney, M. F. & Beaujuge, P. M. (2014). Ordering Effects in Benzo[1,2-b:4,5-b']difuran-Thieno[3,4-c]pyrrole-4,6-dione Polymers with >7% Solar Cell Efficiency. Advanced Materials, 26(25), 4357-4362. https://doi.org/10.1002/adma.201305344

Gubbels, E., Jasinska-Walc, L., Hermida-Merino, D., Hansen, M. R., Noordover, B., Spoelstra, A., Goossens, H. & Koning, C. (2014). Phase separation in poly(butylene terephthalate)-based materials prepared by solid-state modification. Polymer, 55(16), 3801-3810. https://doi.org/10.1016/j.polymer.2014.05.051

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

Narita, A., Feng, X., Hernandez, Y., Jensen, S. A., Bonn, M., Yang, H., Verzhbitskiy, I. A., Casiraghi, C., Hansen, M. R., Koch, A. H. R., Fytas, G., Ivasenko, O., Li, B., Mali, K. S., Balandina, T., Mahesh, S., De Feyter, S. & Müllen, K. (2014). Synthesis of Structurally Well-Defined and Liquid-Phase-Processable Graphene Nanoribbons. Nature Chemistry, 6(2), 126-32. https://doi.org/10.1038/nchem.1819

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

Wilsens, C. H. R. M., Verhoeven, J. M. G. A., Noordover, B. A. J., Hansen, M. R., Auhl, D. & Rastogi, S. (2014). Thermotropic polyesters from 2,5-furandicarboxylic acid and vanillic acid: Synthesis, thermal properties, melt behavior, and mechanical performance. Macromolecules, 47(10), 3306-3316. https://doi.org/10.1021/ma500433e

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

Jasinska-Walc, L., Hansen, M. R., Dudenko, D., Rozanski, A., Bouyahyi, M., Wagner, M., Graf, R. & Duchateau, R. (2014). Topological behavior mimicking ethylene-hexene copolymers using branched lactones and macrolactones. Polymer Chemistry, 5(10), 3306-3310. https://doi.org/10.1039/c3py01754k

Nielsen, J. T. & Nielsen, N. C. (2014). VirtualSpectrum, a Tool for Simulating Peak List for Multiple-Dimensional NMR Spectra. Journal of Biomolecular N M R, 60(1), 51-66. https://doi.org/10.1007/s10858-014-9851-1

Nielsen, A. B., Jain, S. K., Ernst, M., Meier, B. H. & Nielsen, N. C. (2013). Adiabatic Rotor-Echo-Short-Pulse-Irradiation Mediated Cross-Polarization. Journal of Magnetic Resonance, 237, 147-151. https://doi.org/10.1016/j.jmr.2013.09.002

Jayanthi, S. S., Akbey, U., Uluca, B. B., Oschkinat, H. H. & Vega, S. S. S. S. (2013). A Floquet description of phase alternated sequences for efficient homonuclear recoupling in solid perdeuterated systems. Journal of Magnetic Resonance, 234, 10-20. https://doi.org/10.1016/j.jmr.2013.05.007

Skibsted, J. (2013). Aluminum incorporated in the Calcium Silicate Hydrate (C-S-H) phase studied by solid-state NMR spectroscopy. In D. Stephan, H. V. Daake & G. Land (Eds.), Proceedings of the 1st International Conference on the Chemistry of Construction Materials, 7-9 October 2013, Berlin GDCh Division of Chemistry of Construction Chemicals.

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Lise Refstrup Linnebjerg Pedersen