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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Angmo, D., Bjerring, M., Nielsen, N. C., Thomson, B. C. & Krebs, F. C. (2015). Fullerene alloy formation and the benefits for efficient printing of ternary blend organic solar cells. Journal of Materials Chemistry, 3(21), 5541-5548. https://doi.org/10.1039/c5tc00781j

Garg, N. & Skibsted, J. (2015). Heated montmorillonite: strcuture, reactivity, and dissolution. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 117-124). Springer. https://doi.org/10.1007/978-94-017-9939-3_15

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

Equbal, A., Bjerring, M., Madhu, P. K. & Nielsen, N. C. (2015). Improving spectral resolution in biological solid-state NMR using phase-alternated rCW heteronuclear decoupling. Chemical Physics Letters, 635, 339-344. https://doi.org/10.1016/j.cplett.2015.07.008

Muller, A. C. A., Scrivener, K. L., Skibsted, J., Gajewicz, A. M. & McDonald, P. J. (2015). Influence of silica fume on the microstructure of cement pastes: New insights from H-1 NMR relaxometry. Cement and Concrete Research, 74, 116-125. https://doi.org/10.1016/j.cemconres.2015.04.005

Kunther, W., Lothenbach, B. & Skibsted, J. (2015). Influence of the Ca/Si ratio of the C–S–H phase on the interaction with sulfate ions and its impact on the ettringite crystallization pressure. Cement and Concrete Research, 69, 37-49. https://doi.org/10.1016/j.cemconres.2014.12.002

Kitahara, R. & Mulder, F. A. A. (2015). Is pressure-induced signal loss in NMR spectra for the Leu99Ala cavity mutant of T₄ lysozyme due to unfolding? Proceedings of the National Academy of Sciences (PNAS), 112(9), Article E923. https://doi.org/10.1073/pnas.1423279112

Vosegaard, T. (2015). jsNMR: An Embedded Platform-Independent NMR Spectrum Viewer. Magnetic Resonance in Chemistry, 53(4), 285-290. https://doi.org/10.1002/mrc.4195

Jensen, S., Jepsen, L., Skibsted, J. & Jensen, T. R. (2015). Metastable solid solution, Na_1-xK_xBH₄, in the binary NaBH₄–KBH₄ system. Poster session presented at GRC, United States.

Jakobsen, H. J., Brorson, M., Wu, G., Gan, Z. & Hung, I. (2015). NMR Crystallography: ¹⁷O RT MAS NMR of IO₄^- Ions Reveals ¹J(¹⁷O-¹²⁷l) and its Structure. In National High Magnetic Field Laboratory 2014 Annual Research Report (Vol. 311). National High Magnetic Field Laboratory. https://legacywww.magnet.fsu.edu/mediacenter/publications/reports/2014annualreport/2014-NHMFL-Report311.pdf

Sørensen, M. K., Jensen, O., Bakharev, O. N., Nyord, T. & Nielsen, N. C. (2015). NPK NMR Sensor: Online Monitoring of Nitrogen, Phosphorus, and Potassium in Animal Slurry. Analytical Chemistry, 87(13), 6446-6450. https://doi.org/10.1021/acs.analchem.5b01924

Vigna, E. & Skibsted, J. (2015). Optimization of alkali activated Portland cement – calcined clay blends based on the phase assemblage in the Na₂O-CaO-Al₂O₃-SiO₂-H₂O system. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 101-107). Springer. https://doi.org/10.1007/978-94-017-9939-3_13

Oktaviani, N. A., Risør, M. W., Lee, Y.-H., Megens, R. P., de Jong, D. H., Otten, R., Scheek, R. M., Enghild, J. J., Nielsen, N. C., Ikegami, T. & Mulder, F. A. A. (2015). Optimized co-solute paramagnetic relaxation enhancement for the rapid NMR analysis of a highly fibrillogenic peptide. Journal of Biomolecular N M R, 62(2), 129-142. https://doi.org/10.1007/s10858-015-9925-8

Dai, Z., Kunther, W., Ferreiro, S., Herfort, D. & Skibsted, J. (2015). Phase assemblages in hydrated Portland cement, calcined clay and limestone blends from solid-state ²⁷Al and ²⁹Si MAS NMR, XRD, and thermodynamic modeling. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 109-115). Springer. https://doi.org/10.1007/978-94-017-9939-3_14

Jensen, S. R. H., Jepsen, L. H., Skibsted, J. & Jensen, T. R. (2015). Phase Diagram for the NaBH₄-KBH₄ System and the Stability of a Na_1-xK_xBH₄ Solid Solution. The Journal of Physical Chemistry Part C, 119(50), 27919-27929. https://doi.org/10.1021/acs.jpcc.5b09851

Garg, N., Enemark-Rasmussen, K., Dai, Z. & Skibsted, J. (2015). Pozzolanic reactivity of thermally activated kaolinite and montmorillonite in Portland cement blends and their impact on the formed C-S-H phase. In ICCC 2015 Beijing : the 14th international congress on the chemistry of cement, 13-16 October, 2015: Abstract Book vol. 1 (pp. 272)

Cheng, S., Yang, G., Zhao, Y., Peng, M., Skibsted, J. & Yue, Y. (2015). Quantification of the boron speciation in alkali borosilicate glasses by electron energy loss spectroscopy. Scientific Reports, 5, Article 17526. https://doi.org/10.1038/srep17526

Gomez, C. R. S. Q. & Skibsted, J. (2015). Reactivity of heated kaolinite from a combination of chemical methods and solid-state NMR spectroscopy. In ICCC 2015 Beijing : the 14th international congress on the chemistry of cement, 13-16 October, 2015 (pp. 310)

Gomez, C. R. S. Q. & Skibsted, J. (2015). Reactivity of heated kaolinite from a combination of solid-state NMR and chemical methods. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 125-132). Springer. https://doi.org/10.1007/978-94-017-9939-3_16

Maximov, I. I., Vinding, M. S., Tse, D. H. Y., Nielsen, N. C. & Shah, N. J. (2015). Real-time 2D spatially selective MRI experiments: Comparative analysis of optimal control design methods. Journal of Magnetic Resonance, 254(110-120), 110-120. https://doi.org/10.1016/j.jmr.2015.03.003

Supur, M., Yurtsever, A. & Akbey, Ü. (2015). Remarkable enhancement of ambient-air electrical conductivity of the perylenediimide π-stacks isolated in the flexible films of a hydrogen-bonded polymer. RSC Advances, 5(79), 64240-64246. https://doi.org/10.1039/c5ra12169h

Hansen, S. K., Bertelsen, K., Jensen, B. P., Nielsen, N. C. & Vosegaard, T. (2015). Solid-State NMR Methods for Oriented Membrane Proteins. Progress in Nuclear Magnetic Resonance Spectroscopy, 88-89, 48-85. https://doi.org/10.1016/j.pnmrs.2015.05.001

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 , 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.

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Lise Refstrup Linnebjerg Pedersen