Publications

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Sattler, M., Schleucher, J., Schedledtzky, O., Glaser, S. J., Griesinger, C., Nielsen, N. C. & Sørensen, O. W. (1996). α&β HSQC, an HSQC-Type Experiment with Improved Resolution for I₂S Groups. Journal of Magnetic Resonance, 119(2), 171-179.

Bomholdt Ravnsbæk, D., Filinchuk, Y., Cerenius, Y., Jakobsen, H. J., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2009). Novel Zinc-based Hydrogen Storage Materials. Poster session presented at Beyond Kyoto, Århus, Denmark.

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

Lindman, S., Linse, S., Mulder, F. A. A. & André, I. (2007). pK_a Values for Side-Chain Carboxyl Groups of a PGB1 Variant Explain Salt and pH-Dependent Stability. Biophysical Journal, 92(1), 257-266. https://doi.org/10.1529/biophysj.106.088682

Tamiola, K. & Mulder, F. A. A. (2011). ncIDP-assign: a SPARKY extension for the effective NMR assignment of intrinsically disordered proteins. Bioinformatics (Online), 27(7), 1039-40. https://doi.org/10.1093/bioinformatics/btr054

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

Vosegaard, T. (2018). iSpec: A Web-Based Activity for Spectroscopy Teaching. Journal of Chemical Education, 95(1), 90-103. https://doi.org/10.1021/acs.jchemed.7b00482

Ho, T. M., Abik, F., Hietala, S., Isaza Ferro, E., Pitkänen, L., Juhl, D. W., Vosegaard, T., Kilpeläinen, P. O. & Mikkonen, K. S. (2023). Wood lignocellulosic stabilizers: effect of their characteristics on stability and rheological properties of emulsions. Cellulose, 30(2), 753-773. https://doi.org/10.1007/s10570-022-04958-z

Nielsen, S. B., Macchi, F., Raccosta, S., Langkilde, A. E., Giehm, L., Kyrsting, A., Svane, A. S. P., Manno, M., Christiansen, G., Nielsen, N. C., Oddershede, L., Vestergaard, B. & Otzen, D. (2013). Wildtype and A30P Mutant Alpha-Synuclein Form Different Fibril Structures. P L o S One, 8(7), [e67713]. https://doi.org/10.1371/journal.pone.0067713

Nielsen, N. C., Nielsen, J. T. & Tosner, Z. (2008). When proteins aggregate. In The Villum Kann Rasmussen Foundation and Velux Foundation Annual Report 2008

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

Hansen, A. R. E., Enemark-Rasmussen, K., Mulder, F. A. A., Jensen, P. R. & Meier, S. (2022). Versatile Procedures for Reliable NMR Quantification of CO2 Electroreduction Products. Journal of Physical Chemistry C, 126(27), 11026-11032. https://doi.org/10.1021/acs.jpcc.2c03448

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

Tamiola, K. & Mulder, F. A. A. (2012). Using NMR chemical shifts to calculate the propensity for structural order and disorder in proteins. Biochemical Society. Transactions, 40(5), 1014-20. https://doi.org/10.1042/BST20120171

Miller, N. C., Cho, E., Junk, M. J. N., Gysel, R., Risko, C., Kim, D., Sweetnam, S., Miller, C. E., Richter, L. J., Kline, J., Heeney, M., McCulloch, I., Amassian, A., Acevedo-Feliz, D., Knox, C., Hansen, M. R., Dudenko, D., Chmelka, B. F., Toney, M. F. ... McGehee*, M. D. (2012). Use of X-Ray Diffraction, Molecular Mechanics Simulations, and Spectroscopy to Determine the Molecular Packing in a Polymer-Fullerene Bimolecular Crystal. Advanced Materials, 24(45), 6071–6079. https://doi.org/10.1002/adma.201202293

Andersen, L. M., Wind, T., Hansen, H. D., Blouse, G., Christensen, A., Jensen, J. K., Malmendal, A., Nielsen, N. C. & Andreasen, P. (2007). Urokinase-type plasminogen activator-inhibiting cyclic peptides demonstrate new modalities for inhibition of serine proteases. Poster session presented at XIth International Workshop on Molecular and Cellular Biology of Plasminogen Activation, Stockholm, Sweden.

Giavani, T., Johannsen, K., Jacobsen, C. J. H., Blom, N., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Unusual observation of nitrogen chemical shift anisotropies in tetraalkylammonium halides by 14N MAS NMR spectroscopy. Solid. State. Nucl. Mag., 24, 218-235. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THK-48PVK5B-1-1B&_cdi=5285&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999759995&view=c&wc hp=dGLbVzz-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=3a535fe0a7f6b6ebbcc87a84a3d2c675&ie=f.pdf

Skibsted, J., Sevelsted, T. F., Poulsen, S. L. & Tran, T. T. (2013). Untersuchung von Gast-Ionen-Aufnahme in Portlandzement - Teil 2. ZKG International, 66(6), 46-52.

Skibsted, J., Sevelsted, T. F., Poulsen, S. L. & Tran, T. T. (2013). Untersuchung von Gast-Ionen-Aufnahme in Portlandzement - Teil 1. ZKG International, 66(4), 66-73.

Untidt, T., Glaser, S. J., Griesinger, C. & Nielsen, N. C. (1999). Unitary bounds; controllability of quantum evolution in NMR spectroscopy. Mol. Phys., 96, 1739-1744.

Glaser, J. S., Schulte-Herbrüggen, T., Sieveking, M., Schedletzky, O., Nielsen, N. C., Sørensen, O. W. & Griesinger, C. (1998). Unitary Control in Quantum Ensembles: Maximizing Signal Intensity in Coherent Spectroscopy. Science, 280, 421-424.

Sanggaard, K. W., Danielsen, C. C., Wogensen, L., Vinding, M. S., Rydtoft, L. M., Mortensen, M. B., Karring, H., Nielsen, N. C., Wang, T., Thøgersen, I. B. & Enghild, J. J. (2012). Unique structural features facilitate lizard tail autotomy. P L o S One, 7(12), e51803. https://doi.org/10.1371/journal.pone.0051803

Nielsen, J. T., Bjerring, M., Jeppesen, M., Pedersen, R. O., Pedersen, J. M., Hein, K. L., Vosegaard, T., Skrydstrup, T., Otzen, D. & Nielsen, N. C. (2009). Unique identification of supramolecular structures in amyloid fibrils by solid-state NMR spectroscopy. Angewandte Chemie International Edition, 48, 2118-2121.

Nielsen, J. T., Bjerring, M., Jeppesen, M., Pedersen, R. O., Pedersen, J. M., Hein, K. L., Vosegaard, T., Skrydstrup, T., Otzen, D. & Nielsen, N. C. (2009). Unique Identification of Supramolecular Structures in Amyloid Fibrils by Solid-State NMR. Poster session presented at 50th Experimental NMR Conference (ENC), Asilomar, CA, United States.

Yoshimura, Y., Oktaviani, N. A., Yonezawa, K., Kamikubo, H. & Mulder, F. A. A. (2017). Unambiguous Determination of Protein Arginine Ionization States in Solution by NMR Spectroscopy. Angewandte Chemie International Edition, 56(1), 239–242. https://doi.org/10.1002/anie.201609605

Tsao, H. N., Cho, D. M., Park, I., Hansen, M. R., Mavrinskiy, A., Yoon, D. Y., Graf, R., Pisula, W., Spiess, H. W. & Müllen, K. (2011). Ultrahigh mobility in polymer field-effect transistors by design. Journal of the American Chemical Society, 133(8), 2605-12. https://doi.org/10.1021/ja108861q

Wittenborn, T., Nielsen, T., Nygaard, J. V., Larsen, E. K. U., Thim, T., Rydtoft, L. M., Vorup-Jensen, T., Kjems, J., Nielsen, N. C., Horsman, M. R. & Falk, E. (2012). Ultra-High-Field DCE-MRI of Angiogenesis in a Novel Angiogenesis Mouse Model. Journal of Magnetic Resonance Imaging, 35(3), 703-710. https://doi.org/10.1002/jmri.22855

Zhuang, X., Zhang, F., Wu, D., Forler, N., Liang, H., Wagner, M., Gehrig, D., Hansen, M. R., Laquai, F. & Feng, X. (2013). Two-dimensional sandwich-type, graphene-based conjugated microporous polymers. Angewandte Chemie International Edition, 52(37), 9668-72. https://doi.org/10.1002/anie.201304496

Ley, M. B., Bomholdt Ravnsbæk, D., Filinchuk, Y., Lee, Y-S., Janot, R., Cho, Y. W., Skibsted, J. & Jensen, T. R. (2012). Two new lithium ion conductors: with isolated tetranuclear anionic clusters LiM(BH4)3Cl (M = Ce, La). Poster session presented at 10th iNANO Annual Meeting, Aarhus, Denmark.

Akbey, Ü., Camponeschi, F., Van Rossum, B. J. & Oschkinat, H. (2011). Triple resonance cross-polarization for more sensitive ¹³C MAS NMR spectroscopy of deuterated proteins. ChemPhysChem, 12(11), 2092-2096. https://doi.org/10.1002/cphc.201100084

Nielsen, N. C. & Khaneja, N. (2008). Triple Oscillating Field Technique for Accurate Distance Measurements by Solid-State NMR. Journal of Chemical Physics, 128, 015103.

Andersen, F. D., Pedersen, K. D., Wilkens Juhl, D., Mygind, T., Chopin, P., B. Svenningsen, E., Poulsen, T. B., Braad Lund, M., Schramm, A., Gotfredsen, C. H. & Tørring, T. (2022). Triculamin: An Unusual Lasso Peptide with Potent Antimycobacterial Activity. Journal of Natural Products, 85(6), 1514-1521. https://doi.org/10.1021/acs.jnatprod.2c00065

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

Wroblewska, A., Zych, A., Thiyagarajan, S., Dudenko, D., van Es, D., Hansen, M. R., Koning, C., Duchateau, R. & Jasinska-Walc, L. (2015). Towards sugar-derived polyamides as environmentally friendly materials. Polymer Chemistry, 6(22), 4133-4143. https://doi.org/10.1039/c5py00521c

Vosegaard, T. & Nielsen, N. C. (2002). Towards high-resolution solid-state NMR on large uniformly ¹⁵N- and [¹³C, ¹⁵N]-labeled membrane proteins in oriented lipid bilayers. J. Biomol. NMR, 22, 225-247.

Feng, X., Marcon, V., Pisula, W., Hansen, M. R., Kirkpatrick, J., Grozema, F., Andrienko, D., Kremer, K. & Müllen, K. (2009). Towards high charge-carrier mobilities by rational design of the shape and periphery of discotics. Nature Materials, 8(5), 421-6. https://doi.org/10.1038/nmat2427

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

Drits, V. A., Lindgreen, H., Sakharov, B. A., Jakobsen, H. J., Salyn, A. L. & Dainyak, L. G. (2002). Tobelitization of smectite during oil generation in oil-source shales. Application to North Sea illite-tobelite-smectite-vermiculite. Clays and Clay Minerals, 50, 82-98.

Lalli, D., Schanda, P., Chowdhury, A., Retel, J., Hiller, M., Higman, V. A., Handel, L., Agarwal, V., Reif, B., Van Rossum, B., Akbey, Ü. & Oschkinat, H. (2011). Three-dimensional deuterium-carbon correlation experiments for high-resolution solid-state MAS NMR spectroscopy of large proteins. Journal of Biomolecular N M R, 51(4), 477-485. https://doi.org/10.1007/s10858-011-9578-1

Lin, J., Griffin, R. G., Nielsen, N. C. & Khaneja, N. (2016). Three pulse recoupling and phase jump matching. Journal of Magnetic Resonance, 263, 172-183. https://doi.org/10.1016/j.jmr.2015.11.012

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

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., Dai, Z., Garzon, S. F., Herfort, J. & Skibsted, J. (2013). Thermodynamic modeling of Portland cement – metakaolin – limestone blends. 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. GDCh-Monographie Vol. 46

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. (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. RILEM Bookseries Vol. 10 https://doi.org/10.1007/978-94-017-9939-3_18

Christensen, A. N., Jensen, T. R., Lebech, B., Hanson, J. C., Jakobsen, H. J. & Skibsted, J. (2008). Thermal decomposition of monocalcium aluminate decahydrate (CaAl₂O₄.10H₂O) investigated by in-situ synchrotron X-ray powder diffraction, thermal analysis and ²⁷Al, ²H MAS NMR spectroscopy. Dalton Transactions (Print Edition), 455-462.

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

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.

Ravnsbæk, D., Filinchuk, Y., Cerny, R., Ley, M. B., Haase, D., Jakobsen, H. J., Skibsted, J. & Jensen, T. R. (2010). Thermal Polymorphism and Decomposition of Y(BH₄)₃. Inorganic Chemistry, 49, 3801-3809.

Nielsen, J. T. & Mulder, F. A. A. (2016). There is Diversity in Disorder-"In all Chaos there is a Cosmos, in all Disorder a Secret Order". Frontiers in Molecular Biosciences, 3, [4]. https://doi.org/10.3389/fmolb.2016.00004

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Revised 17.04.2023

Lise Refstrup Linnebjerg Pedersen

Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications