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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Kunther, W., Garzon, S. F. & Skibsted, J. (2015). Does the chemical composition of the C-S-H phase influence the strength of cementitious materials? In 19th IBAUSIL – Internationale Baustofftagung (pp. 623-632). Bauhaus-Universität Weimar.

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)

Kunther, W., Dai, Z. & Skibsted, J. (2016). Thermodynamic modeling of hydrated white Portland cement–metakaolin–limestone blends utilizing hydration kinetics from ²⁹Si MAS NMR spectroscopy. Cement and Concrete Research, 86, 29-41. https://doi.org/10.1016/j.cemconres.2016.04.012

Kunther, W., Garzon, S. F., Jølnæs, M. B. & Skibsted, J. (2016). Evaluation of the compressive strength for Portland cement blends including industrial-scale calcined clays and limestone by thermodynamic modeling. Paper presented at 2nd International Conference on the Chemistry of Construction Materials, München, Germany.

Kunther, W., Ferreiro, S. & Skibsted, J. (2017). Influence of the Ca/Si ratio on the compressive strength of cementitious calcium-silicate-hydrate binders. Journal of Materials Chemistry A, 5(33), 17401-17412. https://doi.org/10.1039/c7ta06104h

Kulminskaya, N., Pedersen, M. Ø., Bjerring, M., Underhaug, J., Miller, M., Frigaard, N.-U., Nielsen, J. T. & Nielsen, N. C. (2012). In situ solid-state NMR of protein complexes in heterogeneous biological membranes: The baseplate antenna-complex of Chlorobaculum tepidum. Angewandte Chemie International Edition, 51(28), 6891-6895. https://doi.org/10.1002/anie.201201160

Kulminskaya, N. V., Yoshimura, Y., Runager, K., Sørensen, C. S., Bjerring, M., Andreasen, M., Otzen, D. E., Enghild, J. J., Nielsen, N. C. & Mulder, F. A. A. (2016). Near-complete ¹H, ¹³C, ¹⁵N resonance assignments of dimethylsulfoxide-denatured TGFBIp FAS1-4 A546T. Biomolecular N M R Assignments, 10(1), 25-29. https://doi.org/10.1007/s12104-015-9630-2

Kucharczyk, S., Zajac, M., Stabler, C., Thomsen, R. M., Ben Haha, M., Skibsted, J. & Deja, J. (2019). Structure and reactivity of synthetic CaO-Al₂ O₃ -SiO₂ glasses. Cement and Concrete Research, 120, 77-91. https://doi.org/10.1016/j.cemconres.2019.03.004

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.

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

Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Application of lie algebra to NMR spectroscopy. Progr. NMR Spectrosc, 34, 1-69.

Kristensen, J. H., Bildsøe, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Separation of ²H MAS NMR spectra by two-dimensional spectroscopy. Journal of Magnetic Resonance, 139, 314-333.

Kristensen, T. N., Overgaard, J., Hoffmann, A. A., Nielsen, N. C. & Malmendal, A. (2012). Inconsistent effects of developmental temperatureacclimation on low-temperature performance andmetabolism in Drosophila melanogaster. Evolutionary Ecology Research, 14, 821-837. http://www.evolutionary-ecology.com/

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

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

Koldsø, H., Andersen, O. J., Nikolajsen, C. L., Scavenius, C., Sørensen, C. S., Underhaug, J., Runager, K., Nielsen, N. C., Enghild, J. J. & Schiøtt, B. (2015). Early Events in the Amyloid Formation of the A546T Mutant of Transforming Growth Factor Beta Induced Protein (TGFBIp) in Corneal Dystrophies Compared to the Non-Fibrillating R555W and R555Q Mutants. Biochemistry, 54(36), 55546-5556. https://doi.org/10.1021/acs.biochem.5b00473

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, 112(9), Article E923. https://doi.org/10.1073/pnas.1423279112

Kitahara, R., Yoshimura, Y., Xue, M., Kameda, T. & Mulder, F. A. A. (2016). Detecting O₂ binding sites in protein cavities. Scientific Reports, 6, Article 20534. https://doi.org/10.1038/srep20534

Kitahara, R., Sakuraba, S., Kameda, T., Okuda, S., Xue, M. & Mulder, F. A. A. (2018). Nuclear magnetic resonance-based determination of dioxygen binding sites in protein cavities. Protein Science, 27(3), 769-779. https://doi.org/10.1002/pro.3371

Kirkegaard, K., Svane, A. S. P., Hindkjær, J. J., Nielsen, N. C. & Ingerslev, H. J. (2013). Metabolic profiles of spent culture media does not predict pregnancy outcome. Abstract from European Society of Human Reproduction and Embryology 29th annual meeting, London, United Kingdom.

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

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

Kiersnowski, A., Kolman, K., Lieberwirth, I., Yordanov, S., Butt, H.-J., Hansen, M. R. & Anastasiadis, S. H. (2013). New Insights into the Multilevel Structure and Phase Transitions of Synthetic Organoclays. Soft Matter, 9(7), 2291-2301. https://doi.org/10.1039/C2SM26821C

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

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.

Kehlet, C. T., Sivertsen, A. C., Bjerring, M., Reiss, T. O., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2004). Improving Solid-State NMR Dipolar Recoupling by Optimal Control. Journal of the American Chemical Society, 126, 10202-10203.

Kehlet, C. T., Vosegaard, T., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2005). Low-power homonuclear dipolar recoupling in solid-state NMR developed using optimal control theory. Chemical Physics Letters, 414, 204-209.

Kehlet, C., Bjerring, M., Sivertsen, A. C., Kristensen, T., Enghild, J. J., Glaser, S. J., Khaneja, N. & Nielsen, N. C. (2007). Optimal control based NCO and NCA experiments for spectral assignment in biological solid-state NMR spectroscopy. Journal of Magnetic Resonance, 188(2), 216-230. https://doi.org/10.1016/j.jmr.2007.06.011

Kehlet, C., Tosner, Z., Nielsen, A. B., Bjerring, M., Nielsen, J. T., Vinding, M. S., Vosegaard, T., Glaser, S. J., Khaneja, N. & Nielsen, N. C. (2009). Optimal Control in NMR Spectroscopy: Implementation into SIMPSON and Novel Experiments for Biological Solid-State NMR. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, CA, United States.

Kehlet, C., Nielsen, J. T., Tosner, Z. & Nielsen, N. C. (2011). Resolution-Enhanced Solid-State NMR 13C-13C Correlation Spectroscopy by Optimal Control Dipolar-Driven Spin-State-Selective Coherence Transfer. The Journal of Physical Chemistry Letters, 2, 543-547.

Kehlet, C. & Nielsen, N. C. (2006). Solid-State NMR Experiments by Optimal Control. Bruker Report, 157, 31-34. http://www.bruker-est.com/fileadmin/be_user/News_Events/SpinReport/SpinReport157_31-34.pdf

Kehlet, C., Del Federico, E., Schahbaz, H., Catalano, A., Dittmer, J. & Nielsen, N. C. (2013). Non-invasive characterization of polymeric materials in relation to art conservation using unilateral NMR combined with multivariate data analysis. Analytical Methods, 5(17), 4480-4486. https://doi.org/10.1039/c3ay40650d

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

Kamihira, M., Vosegaard, T., Mason, A. J., Straus, S. K., Nielsen, N. C. & Watts, A. (2005). Structural and orientational constraints of bacteriorhodopsin in purple membranes determined by oriented-sample solid-state NMR spectroscopy. J. Struct. Biol., 149, 7-16.

Kalashnyk, N., Nielsen, J. T., Nielsen, E. H., Skrydstrup, T., Otzen, D., Lægsgaard, E., Wang, C., Besenbacher, F., Nielsen, N. C. & Linderoth, T. R. (2012). Scanning tunneling microscopy reveals single-molecule insights into the self-assembly of amyloid fibrils. A C S Nano, 6(8), 6882-6889. https://doi.org/10.1021/nn301708d

Juhl, D. W. (2016). Amyloid fibrils, A study of Structure, Ligand interactions and protein coating of Amyloid fibrils. Aarhus University, Science and Technology.

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

Juhl, D. W., Tosner, Z. & Vosegaard, T. (2020). Versatile NMR simulations using SIMPSON. Annual Reports on N M R Spectroscopy, 100(Chapter One), 1-59. https://doi.org/10.1016/bs.arnmr.2019.12.001

Juhl, D. W., Glattard, E., Lointier, M., Bampilis, P. & Bechinger, B. (2020). The Reversible Non-covalent Aggregation Into Fibers of PGLa and Magainin 2 Preserves Their Antimicrobial Activity and Synergism. Frontiers in cellular and infection microbiology, 10, Article 526459. https://doi.org/10.3389/fcimb.2020.526459

Juel, I., Herfort, D., Gollop, R., Konnerup-Madsen, J., Jakobsen, H. J. & Skibsted, J. (2003). A thermodynamic model for predicting the stability of thaumasite. Cement Concrete Comp, 25, 867-872. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-49NVGWW-1-H&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c& wchp=dGLbVtb-zSkWb&_acct=C000034578&_version=1&_userid=642076&md5=77425a3e0e1a20826942ceed2924c3c8&ie=f.pdf

Joseph, S., Skibsted, J. & Cizer, Ö. (2019). A quantitative study of the C₃A hydration. Cement and Concrete Research, 115, 145-159. https://doi.org/10.1016/j.cemconres.2018.10.017

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

Joseph, S., Skibsted, J. & Cizer, Ö. (2022). Effect of Water–Solid Mixing Sequence and Crystallization Water of Calcium Sulphate on the Hydration of C₃ A. Materials, 15(6), Article 2297. https://doi.org/10.3390/ma15062297

Jørgensen, M. R., Madsen, G., Jakobsen, H. J. & Skibsted, J. (2009). Resolution and Assignment of Multiple ²⁷Al Sites in Calcium Aluminates from ²⁷Al MAS and MQMAS NMR Combined with DFT Calculations. Poster session presented at 50^th Experimental NMR Conference, Asilomar, Pacific Groove, California, United States.

Jørgensen, M., Lee, Y. S., Bjerring, M., Jepsen, L. H., Akbey, Ü., Cho, Y. W. & Jensen, T. R. (2018). Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH₄)₂(NH₃BH₃)₂. Dalton transactions (Cambridge, England : 2003), 47(46), 16737-16746. https://doi.org/10.1039/c8dt03654c

Jiang, L., Svane, A. S. P., Sørensen, H. P., Jensen, J. K., Hosseini, M., Chen, Z., Weydert, C., Nielsen, J. T., Christensen, A., Yuan, C., Jensen, K. J., Nielsen, N. C., Malmendal, A., Huang, M. & Andreasen, P. (2011). The binding mechanism of a peptidic cyclic serine protease inhibitor. International Journal of Molecular Biology, 412(2), 235-50. https://doi.org/10.1016/j.jmb.2011.07.028

Jiang, L., Zhao, B., Xu, P., Sørensen, H. P., Jensen, J. K., Christensen, A., Hosseini, M., Nielsen, N. C., Jensen, K. J., Andreasen, P. A. & Huang, M. (2015). Distinctive binding modes and inhibitory mechanisms of two peptidic inhibitors of urokinase-type plasminogen activator with isomeric P1 residues. International Journal of Biochemistry & Cell Biology, 62, 88-92. https://doi.org/10.1016/j.biocel.2015.02.016

Jespersen, S. N., Bjarkam, C. R., Nyengaard, J. R., Mallar, C., Hansen, B., Vosegaard, T., Østergaard, L., Yablonskiy, DA., Nielsen, N. C. & Vestergaard-Poulsen, P. (2010). Neurite density from magnetic resonance diffusion measurements at ultrahigh field: comparison with light microscopy and electron microscopy. NeuroImage, 49(1), 205-16. https://doi.org/10.1016/j.neuroimage.2009.08.053

Jepsen, L., Ban, V., Møller, K. T., Lee, Y.-S., Cho, Y. W., Filinchuk, Y., Skibsted, J. & Jensen, T. R. (2013). M(BH4)2-NH3BH3 (M=Na, K, Mg) for hydrogen storage. Poster session presented at CMC Evaluation Meeting 2013, Aarhus, Denmark.

Jepsen, L., Skibsted, J. & Jensen, T. R. (2012). Hydrogen storage properties in the LiAlH4-LiNH2 system.

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Lise Refstrup Linnebjerg Pedersen