Publications

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Hohwy, M., Bildsøe, H. K., Jakobsen, H. J. & Nielsen, N. C. (1999). Efficient spectral simulations in NMR of rotating solids. The gamma-COMPUTE algorithm. Journal of Magnetic Resonance, 136, 6-14.

Dai, Y., Li, C., Shen, Y., Zhu, S., Hvid, M. S., Wu, L. C., Skibsted, J., Li, Y., Niemantsverdriet, J. W. H., Besenbacher, F., Lock, N. & Su, R. (2018). Efficient Solar-Driven Hydrogen Transfer by Bismuth-Based Photocatalyst with Engineered Basic Sites. Journal of the American Chemical Society, 140(48), 16711-16719. https://doi.org/10.1021/jacs.8b09796

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

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

Jain, S. K., Bjerring, M. & Nielsen, N. C. (2012). Efficient and Robust Heteronuclear Cross-Polarization for High-Speed-Spinning Biological Solid-State NMR Spectroscopy. The Journal of Physical Chemistry Letters, 3, 703-708.

Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2005). Effects of T₂-relaxation in MAS NMR spectra of the satellite transitions for quadrupolar nuclei: a ²⁷Al MAS and single-crystal NMR study of alum KAl(SO₄)₂^.12H₂O. Journal of Magnetic Resonance, (173), 209-217.

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

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

Dai, Z. & Skibsted, J. (2020). Effect of Temperature on the Hydration of White Portland Cement–Metakaolin Blends Studied by ²⁹Si and ²⁷Al MAS NMR. In S. Bishnoi (Ed.), Calcined Clays for Sustainable Concrete (pp. 283-292). Springer. https://doi.org/10.1007/978-981-15-2806-4_33

Zajac, M., Skibsted, J., Lothenbach, B., Bullerjahn, F., Skocek, J. & Ben Haha, M. (2022). Effect of sulfate on CO₂ binding efficiency of recycled alkaline materials. Cement and Concrete Research, 157, Article 106804. https://doi.org/10.1016/j.cemconres.2022.106804

Kristensen, L. R., Herrmann, G. J., Skibsted, J. & Jensen, T. R. (2025). Effect of Mechanical Pressure on the Ionic Conductivity of Sodium Dodecahydrido-closo-dodecaborate. ACS Materials Letters, 7(3), 990-995. https://doi.org/10.1021/acsmaterialslett.4c02153

Nielsen, N. C., Malmendal, A., Bertram, H. C., Petersen, B. O., Madsen, J. C., Pedersen, H., Hoppe, C., Mølgaard, C., Michaelsen, K. F. & Duus, J. Ø. (2007). Effect of magnetic field strength on NMR-based metabonomic of human urine data - A comparative study of 250, 400, 500 and 800 MHz. Bunseki, 79(18), 7110-7115.

Larsen, F. H. & Nielsen, N. C. (1999). Effect of finite Rf pulses; sample spinning speed in multiple-quantum magic-angle spinning (MQ-MAS); multiple-quantum Carr-Purcell-Meiboom-Gill magic-angle spinning (MQ-QCPMG-MAS) nuclear magnetic resonance ofhalf integer quadrupolar nuclei. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103, 10825-10832.

Zajac, M., Skocek, J., Durdzinski, P., Bullerjahn, F., Skibsted, J. & Ben Haha, M. (2020). Effect of carbonated cement paste on composite cement hydration and performance. Cement and Concrete Research, 134, Article 106090. https://doi.org/10.1016/j.cemconres.2020.106090

Zajac, M., Skibsted, J., Durdzinski, P. & Ben Haha, M. (2021). Effect of alkalis on products of enforced carbonation of cement paste. Construction and Building Materials, 291, Article 123203. https://doi.org/10.1016/j.conbuildmat.2021.123203

Zajac, M., Skibsted, J. & Ben Haha, M. (2021). Effect of alkalis on enforced carbonation of cement paste: Mechanism of reaction. Journal of the American Ceramic Society, 104(2), 1076-1087. https://doi.org/10.1111/jace.17481

Yan, Y., Yang, S. Y., Miron, G. D., Collings, I. E., L'Hôpital, E., Skibsted, J., Winnefeld, F., Scrivener, K. & Lothenbach, B. (2022). Effect of alkali hydroxide on calcium silicate hydrate (C-S-H). Cement and Concrete Research, 151, Article 106636. https://doi.org/10.1016/j.cemconres.2021.106636

Tosner, Z., Glaser, S. J., Khaneja, N. & Nielsen, N. C. (2006). Effective hamiltonians by optimal control: solid-state NMR double-quantum and isotropic dipolar recoupling. Journal of Chemical Physics, 125, 184502-1 - 184502-10.

Yoshimura, Y., Kulminskaya, N. V. & Mulder, F. A. A. (2015). Easy and unambiguous sequential assignments of intrinsically disordered proteins by correlating the backbone (15)N or (13)C' chemical shifts of multiple contiguous residues in highly resolved 3D spectra. Journal of Biomolecular N M R, 61(2), 109-121. https://doi.org/10.1007/s10858-014-9890-7

Svane, A. S. P., Jahn, K., Deva, T., Malmendal, A., Otzen, D., Dittmer, J. & Nielsen, N. C. (2008). Early Stages of Amyloid Fibril Formation Studied by Liquid-State NMR: The Peptide Hormone Glucagon. Biophysical Journal, 95(1), 366 – 377. https://doi.org/10.1529/biophysj.107.122895

Newlands, K. C., Foss, M., Matchei, T., Skibsted, J. & Macphee, D. E. (2017). Early stage dissolution characteristics of aluminosilicate glasses with blast furnace slag- and fly-ash-like compositions. Journal of the American Ceramic Society, 100(5), 1941-1955. https://doi.org/10.1111/jace.14716

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

Jakobsen, H. J., Lindhardt, A. T., Bildsøe, H., Skibsted, J., Gan, Z., Hung, I. & Larsen, F. H. (2017). Dynamic Solid-State NMR Experiments Reveal Structural Changes for a Methyl Silicate Nanostructure on Deuterium Substitution. Journal of Physical Chemistry C, 121(47), 26507-26518. https://doi.org/10.1021/acs.jpcc.7b08826

Evenäs, J., Malmendal, A. & Akke, M. (2001). Dynamics of the transition between open and closed conformations in a calmodolin C-terminal domain mutant. Structure, 9, 185-195.

Nielsen, A. B., Carvalho, J. P. A., Goodwin, D. L., Wili, N. & Nielsen, N. C. (2024). Dynamic nuclear polarization pulse sequence engineering using single-spin vector effective Hamiltonians. Physical Chemistry Chemical Physics, 26(44), 28208-28219. https://doi.org/10.1039/d4cp03041a

Vinding, M. S., Laustsen, C., Maximov, I., Søgaard, L. V., Ardenkjær-Larsen, J. H. & Nielsen, N. C. (2013). Dynamic nuclear polarization and optimal control spatial-selective 13C MRI and MRS. Journal of Magnetic Resonance, 227, 57-61. https://doi.org/10.1016/j.jmr.2012.12.002

Shi, Z., Geiker, M. R., de Weerdt, K., Lothenbach, B., Kaufmann, J., Kunther, W., Ferreiro, S., Herfort, D. & Skibsted, J. (2015). Durability of Portland cement blends including calcined clays and limestone: Interactions with sulfate, chloride and carbonate ions. In K. Scrivener & A. Favier (Eds.), Calcined clays for sustainable concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 133-141). Springer. https://doi.org/10.1007/978-94-017-9939-3_17

Bunkenborg, J., Nielsen, N. C. & Sørensen, O. W. (2000). Doubling the sensitivity of natural abundance ¹³C-¹³C INADEQUATE with off-resonance compensation. Magn. Reson. Chem., 38, 58-61.

Nielsen, N. C., Thøgersen, H. & Sørensen, O. W. (1995). Doubling the Sensitivity of INADEQUATE for a I3a I3Tracing Out the Carbon Skeleton of Moleculesby NMR. Journal of the American Chemical Society, 117, 11365-11366.

Tran, T. T., Bildsøe, H. K., Jakobsen, H. J. & Skibsted, J. (2012). Double cross-polarization MAS NMR in the assignment of abundant-spin resonances: 19F–{29Si}–19F FBCP/MAS NMR of fluoride ions incorporated in calcium silicate hydrate (C–S–H) phases. Journal of Magnetic Resonance, 221, 19-23.

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.

Vad, B. S., Thomsen, L. A. H., Bertelsen, K., Franzmann, M., Pedersen, J. M., Nielsen, S. B., Vosegaard, T., Valnickova, Z., Skrydstrup, T., Enghild, J. J., Wimmer, R., Nielsen, N. C. & Otzen, D. (2010). Divorcing folding from function: how acylation affects the membrane-perturbing properties of an antimicrobial peptide. Biochimica et Biophysica Acta - Proteins and Proteomics, 1804(4), 806-20. https://doi.org/10.1016/j.bbapap.2009.12.006

Rasmussen, L. K., Johnsen, L. B., Tsiora, A., Sørensen, E. S., Thomsen, J. K., Nielsen, N. C., Jakobsen, H. J. & Petersen, T. E. (1999). Disulphide-linked caseins and casein micelles. International Dairy Journal, 9, 215-218.

Holzinger, J., Beato, P., Lundegaard, L. F. & Skibsted, J. (2018). Distribution of Aluminum over the Tetrahedral Sites in ZSM-5 Zeolites and Their Evolution after Steam Treatment. The Journal of Physical Chemistry Part C, 122(27), 15595-15613. https://doi.org/10.1021/acs.jpcc.8b05277

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

Garg, N. & Skibsted, J. (2019). Dissolution kinetics of calcined kaolinite and montmorillonite in alkaline conditions: Evidence for reactive Al(V) sites. Journal of the American Ceramic Society, 102(12), 7720-7734. https://doi.org/10.1111/jace.16663

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 , 47(46), 16737-16746. https://doi.org/10.1039/c8dt03654c

Jakobsen, H. J., Bildsøe, H. K., Brorson, M., Gan, Z. & Hung, I. (2013). Direct observation of ¹⁷O-^185/187Re ¹J-coupling in perrhenates by solid-state ¹⁷O VT MAS NMR: Temperature and self-decoupling effects. Journal of Magnetic Resonance, 230, 98-110. https://doi.org/10.1016/j.jmr.2013.01.012

Mittag, T., Christensen, K. L., Lindsay, K., Nielsen, N. C. & Skrydstrup, T. (2008). Direct Entry to Peptidyl Ketones via SmI2-Mediated C−C Bond Formation with Readily Accessible N-Peptidyl Oxazolidinones. Journal of Organic Chemistry, 73(3), 1088–1092. https://doi.org/10.1021/jo702286b

Nielsen, N. C., Straasø, L. A. & Nielsen, A. B. (2012). Dipolar Recoupling. Topics in Current Chemistry, 306, 1-45.

Vestergaard-Poulsen, P., Wegener, G., Hansen, B., Bjarkam, C. R., Blackband, S. J., Nielsen, N. C. & Jespersen, S. N. (2011). Diffusion-weighted MRI and quantitative biophysical modeling of hippocampal neurite loss in chronic stress. PLoS One, 6(7), e20653. https://doi.org/10.1371/journal.pone.0020653

De Belie, N., Schrivener, K., Lothenbach, B., Gruyaert, E., Skibsted, J., Snellings, R., Villagran, Y. & Vollpracht, A. (2015). Determination of the degree of reaction of fly ash in blended cement pastes. In Proceedings of the 14th International Congress on the Chemistry of Cement (pp. 298)

Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Determination of nitrogen chemical shift anisotropy from the second-order cross-term in 14N MAS NMR spectroscopy. Chemical Physics Letters, 377, 426-432. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TFN-495VMSG-4-2T&_cdi=5231&_orig=browse&_coverDate=08%2F15%2F2003&_sk=996229996&view=c&w chp=dGLbVtb-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=c9bfe228a62531273aedb2446be7cb07&ie=f.pdf

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

Jakobsen, H. J. (2005). Det Danske NMR (Diskussions) Møde: 25 År. Dansk Kemi, 86, 38-39.

Untidt, T., Schulte-Herbrüggen, T., Luy, B., Glaser, S. J., Griesinger, C., Sørensen, O. W. & Nielsen, N. C. (1998). Design of NMR pulse experiments with optimum sensitivity: coherence-order-selective transfer in I2S and I3S spin systems. Molecular Physics, 95, 787-796.

Le, T. T., Pistidda, C., Puszkiel, J., Castro Riglos, M. V., Karimi, F., Skibsted, J., Gharibdoust, S. P., Richter, B., Emmler, T., Milanese, C., Santoru, A., Hoell, A., Krumrey, M., Gericke, E., Akiba, E., Jensen, T. R., Klassen, T. & Dornheim, M. (2018). Design of a Nanometric AlTi Additive for MgB₂-Based Reactive Hydride Composites with Superior Kinetic Properties. Journal of Physical Chemistry C, 122(14), 7642-7655. https://doi.org/10.1021/acs.jpcc.8b01850

Bakalis, S., Vosegaard, T., Afrough, A. & Malmos, K. G. (2024). Designing Powder Products: A New Take on an Old Problem. Abstract from Food Physics 2024, London, United Kingdom.

Bjerring, M., Jain, S. K., Jensen, B. P., Vinther, J. M. & Nielsen, N. C. (2013). Designing dipolar recoupling and decoupling experiments for biological solid-state NMR using interleaved continuous wave and rf pulse irradiation. Accounts of Chemical Research, 46(9), 2098-2107. https://doi.org/10.1021/ar300329g

Wili, N., Nielsen, A. B., Völker, L. A., Schreder, L., Nielsen, N. C., Jeschke, G. & Tan, K. O. (2022). Designing broadband pulsed dynamic nuclear polarization sequences in static solids. Science Advances, 8(28), Article eabq0536. https://doi.org/10.1126/sciadv.abq0536

Displaying results 551 to 600 out of 808

Revised 17.04.2023

Lise Refstrup Linnebjerg Pedersen

Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications