Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Odgaard, L., Bak, M., Jakobsen, H. J. & Nielsen, N. C. (2001). 13C chemical shift and 13C-14N dipolar coupling tensors determined by 13C rotary resonance NMR. Journal of Magnetic Resonance, 148, 298-308.
Skibsted, J., Vosegaard, T., Bildsøe, H. & Jakobsen, H. J. (1996). 133Cs Chemical Shielding nisotropies and Quadrupole Couplings from Magic-Angle Spinning NMR of Cesium Salts. Journal of Physical Chemistry, 100(36), 14872-14881. https://doi.org/10.1021/jp9608741
Skibsted, J., Payandeh, S., Ley, M. B. & Jensen, T. R. (2021). 11B Nuclear Spin-Electron Spin Interactions in 11B MAS NMR Spectra of Paramagnetic Metal Borohydrides. Journal of Physical Chemistry C, 125(1), 1113-1124. https://doi.org/10.1021/acs.jpcc.0c09829
Hansen, M. R., Vosegaard, T., Jakobsen, H. J. & Skibsted, J. (2004). 11B Chemical Shift Anisotropies in Borates from 11B MAS, MQMAS, and Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 586-594.
Shi, Z., Ferreiro, S., Lothenbach, B., Geiker, M. R., Kunther, W., Kaufmann, J., Herfort, D. & Skibsted, J. (2019). Sulfate resistance of calcined clay – Limestone – Portland cements. Cement and Concrete Research, 116, 238-251. https://doi.org/10.1016/j.cemconres.2018.11.003
Mosegaard, L., Bomholdt Ravnsbæk, D., Jørgensen, J.-E., Jakobsen, H. J., Cerenius, Y., Besenbacher, F. & Jensen, T. R. (2008). Substitution in LiBH4 by solid state diffusion - Structural and physical properties of LiXx(BH4)1-x (X = F, Cl and Br). Poster session presented at MH2008, Reykjavik, Iceland.
Mosegaard, L., Bomholdt Ravnsbæk, D., Jørgensen, J.-E., Jakobsen, H. J., Cerenius, Y., Besenbacher, F. & Jensen, T. R. (2009). Substitution in LiBH4 by solid state diffusion - Structural and physical properties of LiXx(BH4)1-x (X = F, Cl and Br). Poster session presented at Beyond Kyoto, Århus, Denmark.
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.
Svane, A. S. P., Jahn, K., Malmendal, A., Dittmer, J. & Nielsen, N. C. (2009). Studying the Kenitics of Amyloid Formation using Liquid-State NMR: Early Stages of Glucagon Fibril Formation. Poster session presented at 50th Experimental NMR conference (ENC), Asilomar, CA, United States.
Skibsted, J., Sevelsted, T. F., Poulsen, S. L. & Tran, T. T. (2013). Studies of guest-ion incorporation in Portland cement - Part 2. ZKG International, 66(6), 46-52.
Skibsted, J., Sevelsted, T. F., Poulsen, S. L. & Tran, T. T. (2013). Studies of guest-ion incorporation in Portland cemen - Part 1. ZKG International, 66(4), 66-73.
Zhou, B., Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2005). Structure refinement of CsNO3(II) by coupling of 14N MAS NMR experiments with WIEN2k DFT calculations. Chemical Physics Letters, 402, 133-137.
Muschiol, S., Erlendsson, S., Aschtgen, M.-S., Oliveira, V., Schmieder, P., de Lichtenberg, C., Teilum, K., Boesen, T., Akbey, U. & Henriques-Normark, B. (2017). Structure of the competence pilus major pilin ComGC in Streptococcus pneumoniae. Journal of Biological Chemistry, 292(34), 14134-14146. https://doi.org/10.1074/jbc.M117.787671
Mortensen, H. G., Jensen, G. V., Hansen, S. K., Vosegaard, T. & Pedersen, J. S. (2018). Structure of phospholipid mixed micelles (Bicelles) studied by small-angle X-ray scattering. Langmuir, 34(48), 14597-14607. https://doi.org/10.1021/acs.langmuir.8b02704
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
Garg, N. & Skibsted, J. (2013). Structure and reactivity of a thermally activated smectitic clay by solid-state NMR. Poster session presented at 1st International Conference on the Chemistry of Construction Materials, Berlin, Germany.
Garg, N. & Skibsted, J. (2013). Structure and reactivity of a thermally activated montmorillonite by solid-state NMR spectroscopy.. Paper presented at Cement and Concrete Science Conference, Portsmouth, United Kingdom.
Hansen, B. K., Larsen, C. K., Nielsen, J. T., Svenningsen, E. B., Van, L. B., Jacobsen, K. M., Bjerring, M., Flygaard, R. K., Jenner, L. B., Nejsum, L. N., Brodersen, D. E., Mulder, F. A. A., Tørring, T. & Poulsen, T. B. (2020). Structure and Function of the Bacterial Protein Toxin Phenomycin. Structure, 28(5), 528-539.e9. https://doi.org/10.1016/j.str.2020.03.003
Hansen, M. R., Jakobsen, H. J. & Skibsted, J. (2009). Structure and Dynamics of Hydrous Surface Species on Alumina-Boria Catalysts and Their Precursors from 1H, 2H, 11B, and 27Al MAS NMR Spectroscopy. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 113(6), 2475-2486.
Arnbjerg, L. M., Bomholdt Ravnsbæk, D., Filinchuk, Y., Vang, R. T., Cerenius, Y., Besenbacher, F., Jørgensen, J. E., Jakobsen, H. J. & Jensen, T. R. (2009). Structure and Dynamics for LiBH4-LiCl Solid Solutions. Chemistry of Materials, 21(24), 5772-5782. https://doi.org/10.1021/cm902013k
Cerny, R., Bomholdt Ravnsbæk, D., Severa, G., Filinchuk, Y., d'Anna, V., Hagemann, H., Haase, D., Skibsted, J., Jensen, C. & Jensen, T. R. (2010). Structure and Characterization of KSc(BH4)4. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 114(45), 19540-19549.
Bomholdt Ravnsbæk, D., Frommen, C., Reed, D., Filinchuk, Y., Sørby, M., Hauback, B., Jakobsen, H. J., Book, D., Besenbacher, F., Skibsted, J. & Jensen, T. R. (2011). Structural studies of lithium zinc borohydride by neutron powder diffraction, Raman and NMR Spectroscopy. Journal of Alloys and Compounds, 509S, S698-S704.
Skibsted, J. B., Andersen, M. D. & Jakobsen, H. J. (2006). Structural Investigations of Portland Cement Components, Hydration, and Effects of Admixtures by Solid-State NMR Spectroscopy. In 16th IBAUSIL - Internationale Baustofftagung, Weimar, Germany: 16th IBAUSIL - Internationale Baustofftagung, Weimar, Germany, 20. - 23. September 2006 (Vol. 1, pp. 297-312). Dorothea Rohrmann.
Pedersen, M. T., Jensen, F. & Skibsted, J. (2018). Structural Investigation of Ye'elimite, Ca4Al6O12SO4, by 27Al MAS and MQMAS NMR at Different Magnetic Fields. Journal of Physical Chemistry C, 122(22), 12077-12089. https://doi.org/10.1021/acs.jpcc.8b02497
Liu, C., Li, Z., Nie, S., Skibsted, J. & Ye, G. (2024). Structural evolution of calcium sodium aluminosilicate hydrate (C-(N-)A-S-H) gels induced by water exposure: The impact of Na leaching. Cement and Concrete Research, 178, Article 107432. https://doi.org/10.1016/j.cemconres.2024.107432
Tran, T. T. & Skibsted, J. (2012). Structural environments of fluoride ions in C-S-H phases of Portland cement from 19F and 29Si MAS NMR spectroscopy. Paper presented at 18th IBAUSIL, Weimar, Germany.
Hansen, M. R., Jakobsen, H. J. & Skibsted, J. (2008). Structural environments for boron and aluminum in alumina-boria catalysts and their precursors from 11B and 27Al single- and double-resonance MAS NMR experiments. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 112, 7210-7222.
Drits, V. A., Skibsted, J., Dorzhievava, O. V., Fallick, A. E. & Lindgreen, H. (2017). Structural characterization of marine nano-quartz in chalk and flint from North Sea Tertiary chalk reservoirs for oil and gas. American Mineralogist, 102(7), 1402-1417. https://doi.org/10.2138/am-2017-5992
Diehl, A., Roske, Y., Ball, L., Chowdhury, A., Hiller, M., Moliere, N., Kramer, R., Stoeppler, D., Worth, C. L., Schlegel, B., Leidert, M., Cremer, N., Erdmann, N., Lopez, D., Stephanowitz, H., Krause, E., van Rossum, B.-J., Schmieder, P., Heinemann, U. ... Oschkinat, H. (2018). Structural changes of TasA in biofilm formation of Bacillus subtilis. Proceedings of the National Academy of Sciences (PNAS), 115(13), 3237-3242. https://doi.org/10.1073/pnas.1718102115
Akbey, Ü. & Oschkinat, H. (2016). Structural biology applications of solid state MAS DNP NMR. Journal of Magnetic Resonance, 269(August), 213-224. https://doi.org/10.1016/j.jmr.2016.04.003
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
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.
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
Nielsen, L., Lindsay, K., Faber, J., Nielsen, N. C. & Skrydstrup, T. (2007). Stereocontrolled Synthesis of Methyl Silanediol Peptide Mimics. Journal of Organic Chemistry, 72, 10035-10044.
Bak, M., Schultz, R., Vosegaard, T. & Nielsen, N. C. (2002). Specification and visualization of anisotropic interaction tensors for numerical simulation of solid-state NMR experiments on polypeptide structures. Journal of Magnetic Resonance, 154.
Lenard, A. J., Mulder, F. A. A. & Madl, T. (2022). Solvent paramagnetic relaxation enhancement as a versatile method for studying structure and dynamics of biomolecular systems. Progress in Nuclear Magnetic Resonance Spectroscopy, 132-133, 113-139. https://doi.org/10.1016/j.pnmrs.2022.09.001
Stødkilde, K., Nielsen, J. T., Petersen, S. V., Paetzold, B., Brüggemann, H., Mulder, F. A. A. & Andersen, C. B. F. (2022). Solution Structure of the Cutibacterium acnes-Specific Protein RoxP and Insights Into Its Antioxidant Activity. Frontiers in cellular and infection microbiology, 12, Article 803004. https://doi.org/10.3389/fcimb.2022.803004
Roedern, E., Lee, Y.-S., Ley, M. B., Park, K., Cho, Y. W., Skibsted, J. & Jensen, T. R. (2016). Solid state synthesis, structural characterization and ionic conductivity of bimetallic alkali-metal yttrium borohydrides MY(BH4)4 (M = Li and Na). Journal of Materials Chemistry A, 4(22), 8793-8802. https://doi.org/10.1039/c6ta02761j
Vosegaard, T., Skibsted, J., Bildsøe, H. & Jakobsen, H. J. (1999). Solid-state 87Rb NMR of RbVO3. A comparison of experiments for retrieving chemical shielding and quadrupole coupling tensorial interactions. Solid State Nuclear Magnetic Resonance, 14(3-4), 203-210. https://doi.org/10.1016/S0926-2040(99)00021-1
Nielsen, U. G., Hazell, A. C., Skibsted, J., Jakobsen, H. J. & McKenzie, C. J. (2010). Solid-state 51V MAS NMR spectroscopy determines component concentration and crystal phase in co-crystallised mixtures of vanadium complexes. CrystEngComm, 12, 2826-2834.
Lausen, S. K., Lindgreen, H., Jakobsen, H. J. & Nielsen, N. C. (1999). Solid-state 29Si MAS NMR studies of illite; illite/smectite from shale. Am. Mineralogist, 84, 1433-1438.
Jakobsen, H. J., Hove, A. R., Hazell, R. G., Bildsøe, H. K. & Skibsted, J. B. (2006). Solid-state 14N MAS NMR of ammonium ions as a spy to structural insights for ammonium salts. Magn. Reson. Chem., 44, 348-356.
Bak, M., Thomsen, J. K., Jakobsen, H. J., Petersen, S. E., Petersen, T. E. & Nielsen, N. C. (2000). Solid-state 13C and 31P MAS NMR analysis of urinary stones. J. Urol., 164, 856-863.
Larsen, F. H., Skibsted, J. B., Jakobsen, H. J. & Nielsen, N. C. (2000). Solid-state QCPMG NMR of low-γ quadrupolar metal nuclei in natural abundance. Journal of the American Chemical Society, 122, 7080-7086.
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
Akbey, Ü., Graf, R., Peng, Y. G., Chu, P. P. & Spiess, H. W. (2009). Solid-state NMR investigations of anhydrous proton-conducting acid-base poly(acrylic acid)-poly(4-vinyl pyridine) polymer blend system: A study of hydrogen bonding and proton conduction. Journal of Polymer Science. Part B, Polymer Physics, 47(2), 138-155. https://doi.org/10.1002/polb.21623
Bjerring, M. & Nielsen, N. C. (2003). Solid-state NMR heteronuclear dipolar recoupling using off-resonance symmetry-based pulse sequences. Chemical Physics Letters, 370, 496-503.
Bjerring, M. & Nielsen, N. C. (2003). Solid-state NMR heteronuclear coherence transfer using phase and amplitude modulated rf irradiation at the Hartmann–Hahn sideband conditions. Chemical Physics Letters, 382, 671-678. https://doi.org/10.1016/j.cplett.2003.10.120
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
Fyfe, C. A., Skibsted, J. & Schwieger, W. (2001). Solid-State NMR Characterization of the Mineral Searlesite and its Detection in Complex Synthesis Mixtures. Inorg. Chem., 40, 5906-5912.

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen