Find

For students
For PhDs
For employees

Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

Sort by: Date | Author | Title

Dudenko, D., Wegner, M., Mafra, L., Shu, J., Graf, R., Hansen, M. R. & Spiess, H. W. (2012). Selfassembly of organic functionalized materials through hydrogen bonding and dispersion forces from first principles and solid-state NMR. Poster session presented at 53th Experimental NMR Conference, Miami, United States.

Tasios, N., Grigoriadis, C., Hansen, M. R., Wonneberger, H., Li, C., Spiess, H. W., Müllen, K. & Floudas, G. (2010). Self-assembly, dynamics, and phase transformation kinetics of donor-acceptor substituted perylene derivatives. Journal of the American Chemical Society, 132(21), 7478-87. https://doi.org/10.1021/ja102150g

Percec, V., Peterca, M., Tadjiev, T., Zeng, X., Ungar, G., Leowanawat, P., Aqad, E., Imam, M. R., Rosen, B. M., Akbey, U., Graf, R., Sekharan, S., Sebastiani, D., Spiess, H. W., Heiney, P. A. & Hudson, S. D. (2011). Self-assembly of dendronized perylene bisimides into complex helical columns. Journal of the American Chemical Society, 133(31), 12197-12219. https://doi.org/10.1021/ja204366b

Ma, P., Deshmukh, Y. S., Wilsens, C. H. R. M., Hansen, M. R., Graf, R. & Rastogi, S. (2015). Self-assembling process of Oxalamide compounds and their nucleation efficiency in bio-degradable Poly(hydroxyalkanoate)s. Scientific Reports, 5, [13280]. https://doi.org/10.1038/srep13280

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

Jakobsen, H. J., Hove, A. R., Bildsøe, H. K. & Skibsted, J. B. (2006). Satellite transitions in natural abundance solid-state ³³S MAS NMR of alums - Sign change with zero-crossing of C_Q in a variable temperature study. Journal of Magnetic Resonance, 179, 444-451.

Nørnberg, P., Thøgersen, J., Bak, E. N., Finster, K., Jakobsen, H. J. & Jensen, S. K. (2019). Saltation may be contributory in the depletion of methane on Mars. EGU General Assembly (EGU2019), Proceedings, 21(13986), 201.

Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2000). SIMPSON: A general program for solid-state NMR spectroscopy. Journal of Magnetic Resonance, 147, 296-330.

Bak, M., Rasmussen, J. T. & Nielsen, N. C. (2011). SIMPSON - An important driver for numerical simulations in solid-state NMR spectroscopy. Journal of Magnetic Resonance, 213(2), 401-403. https://doi.org/10.1016/j.jmr.2011.08.002

Weber, M., Schneider, D., Prodöhl, A., Dreher, C., Becker, C., Underhaug, J., Svane, A. S. P., Malmendal, A., Nielsen, N. C. & Otzen, D. (2011). SDS-facilitated in vitro formation of a transmembrane B-type cytochrome is mediated by changes in local pH. Journal of Molecular Biology, 407(4), 594-606. https://doi.org/10.1016/j.jmb.2011.02.005

Shi, Z., Geiker, M. R., De Weerdt, K., Østnor, T. A., Lothenbach, B., Winnefeld, F. & Skibsted, J. (2017). Role of calcium on chloride binding in hydrated Portland cement–metakaolin–limestone blends. Cement and Concrete Research, 95, 205-216. https://doi.org/10.1016/j.cemconres.2017.02.003

Vinther, J. M., Khaneja, N. & Nielsen, N. C. (2013). Robust and Efficient 19F Heteronuclear Dipolar Decoupling using Refocused Continuous-Wave Rf Irradiation. Journal of Magnetic Resonance. https://doi.org/10.1016/j.jmr.2012.11.003

Hansen, B. R. S., Skibsted, J., Jensen, T. R. & Ravnsbæk, D. (2013). Reversibility in LiBH4-MgH2-Al composite systems. Poster session presented at FCH JU Joint Meeting 2013, Santa Cruz, Spain.

Hansen, B. R. S., Jensen, T. R., Skibsted, J. & Bomholdt Ravnsbæk, D. (2012). Reversibility and Decomposition Reactions in the LiBH4-Al Composite System. Poster session presented at Danish Crystallographic Meeting and DanScatt Meeting, Odense, Denmark.

Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2001). Resolving multiple ²⁷Al sites in AlVO₄ by ²⁷Al MAS NMR spectroscopy at 21.15 Tesla. Chem. Commun., 2690-2691.

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.

Skibsted, J., Pedersen, M. T. & Holzinger, J. (2017). Resolution of the Two Aluminum Sites in Ettringite by Al-27 MAS and MQMAS NMR at Very High Magnetic Field (22.3 T). The Journal of Physical Chemistry Part C, 121(7), 4011-4017. https://doi.org/10.1021/acs.jpcc.6b11875

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.

Vosegaard, T., Bertelsen, K., Pedersen, J. M., Thøgersen, L., Schiøtt, B., Tajkhorshid, E., Skrydstrup, T. & Nielsen, N. C. (2008). Resolution Enhancement in Solid-State NMR of Oriented Membrane Proteins by Anisotropic Differential Linebroadening. Journal of the American Chemical Society, 130, 5028-5029.

André, I., Linse, S. & Mulder, F. A. A. (2007). Residue-specific pK_a determination of lysine and arginine side chains by indirect ¹⁵N and ¹³C NMR spectroscopy: Application to apo calmodulin. Journal of the American Chemical Society, 129(51), 15805-15813. https://doi.org/10.1021/ja0721824

Bertelsen, K., Jensen, B. P., Thøgersen, L., Tajkhorshid, E., Schiøtt, H. B., Skrydstrup, T., Nielsen, N. C. & Vosegaard, T. (2009). Residue-Specific Information about the Dynamics of Antimicrobial Peptides from ¹H−¹⁵N and ²H Solid-State NMR Spectroscopy. Journal of the American Chemical Society, 131(51), 18335–18342. https://doi.org/10.1021/ja908604u

Bundgaard, E., Hagemann, O., Bjerring, M., Nielsen, N. C., Andreasen, J. W., Andreasen, B. & Krebs, F. C. (2012). Removal of Solubilizing Side Chains at Low Temperature: A New Route to Native Poly(thiophene). Macromolecules, 45(8), 3644-3646. https://doi.org/10.1021/ma300075x

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

Bak, M. & Nielsen, N. C. (1997). Relative orientation of chemical shielding and dipolar coupling tensors: Mixed single- and double-quantum homonuclear rotary resonancenuclear magnetic resonance of rotating solids. Journal of Chemical Physics, 106(18), 7587-7599.

Equbal, A., Leskes, M., Nielsen, N. C., Madhu, P. K. & Vega, S. S. S. S. (2016). Relative merits of rCWA and XiX heteronuclear spin decoupling in solid-state magic-angle-spinning NMR spectroscopy: A bimodal Floquet analysis. Journal of Magnetic Resonance, 263, 55-64. https://doi.org/10.1016/j.jmr.2015.12.019

May, F., Marcon, V., Hansen, M. R., Grozema, F. & Andrienko, D. (2011). Relationship between supramolecular assembly and charge-carrier mobility in perylenediimide derivatives: The impact of side chains. Journal of Materials Chemistry, 21(26), 9538-9545. https://doi.org/10.1039/c1jm10500k

Vinther, J. M., Nielsen, A. B., Bjerring, M., van Eck, E., Kentgens, A., Khaneja, N. & Nielsen, N. C. (2012). Refocused continuous-wave decoupling: A new approach to heteronuclear dipolar decoupling in solid-state NMR spectroscopy. Journal of Chemical Physics, 137(21), 214202. https://doi.org/10.1063/1.4768953

Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2006). Refinement of Inorganic Structures by Coupling of Density Functional Theory Calculations with Quadrupolar Coupling Interaction Parameters from Solid-State NMR. Poster session presented at 1st EUROMAR Conference, York, United Kingdom.

Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2005). Refinement of Borate Structures from ¹¹B MAS NMR Spectroscopy and Density Functional Theory Calculations of ¹¹B Electric Field Gradients. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(9), 1989-1997.

Brenner, D., Vinding, M. S., Tse, D. H. Y., Vellmer, S., Vosegaard, T., Suter, D., Stöcker, T. & Maximov, I. (2016). Reduced field of view diffusion imaging at 7T using the “blOCh” pulse design package. Poster session presented at EUROMAR 2016, Aarhus, Denmark.

Scoma, A., Heyer, R., Rifai, R., Dandyk, C., Marshall, I., Kerckhof, F. M., Marietou, A., Boshker, H. T. S., Meysman, F. J. R., Malmos, K. G., Vosegaard, T., Vermeir, P., Banat, I. M., Benndorf, D. & Boon, N. (2019). Reduced TCA cycle rates at high hydrostatic pressure hinder hydrocarbon degradation and obligate oil degraders in natural, deep-sea microbial communities. ISME Journal, 13(4), 1004-1018. https://doi.org/10.1038/s41396-018-0324-5

Straasø, L. A. & Nielsen, N. C. (2010). Recoupling of native homonuclear dipolar couplings in magic-angle-spinning solid-state NMR by the double-oscillating field technique. Journal of Chemical Physics, 133, 064501.

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

Skibsted, J. & Snellings, R. (2019). Reactivity of supplementary cementitious materials (SCMs) in cement blends. Cement and Concrete Research, 124, [105799]. https://doi.org/10.1016/j.cemconres.2019.105799

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. RILEM Bookseries Vol. 10 https://doi.org/10.1007/978-94-017-9939-3_16

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)

Bjerring, M. M., Jensen, B. P., Oschkinat, H. H., Akbey, U. & Nielsen, N. C. (2012). Rapid solid-state NMR of deuterated proteins by interleaved cross-polarization from ¹ H and ² H nuclei. Journal of Magnetic Resonance, 214, 324-328. https://doi.org/10.1016/j.jmr.2011.10.020

Leskes, M., Akbey, Ü., Oschkinat, H., Van Rossum, B. J. & Vega, S. (2011). Radio frequency assisted homonuclear recoupling - A Floquet description of homonuclear recoupling via surrounding heteronuclei in fully protonated to fully deuterated systems. Journal of Magnetic Resonance, 209(2), 207-219. https://doi.org/10.1016/j.jmr.2011.01.015

Bak, M. & Nielsen, N. C. (1997). REPULSION, A Novel Approach to Efficient Powder Averaging in Solid-State NMR. Journal of Magnetic Resonance, 125(1), 132-139.

Nielsen, J. T. & Mulder, F. A. A. (2020). Quantitative Protein Disorder Assessment Using NMR Chemical Shifts. In B. B. Kragelund & K. Skriver (Eds.), Intrinsically Disordered Proteins (pp. 303-317). Humana Press. Methods in Molecular Biology Vol. 2141 https://doi.org/10.1007/978-1-0716-0524-0_15

Jakobsen, H. J., Bildsoe, H., Brorson, M., Gan, Z. & Hung, I. (2014). Quantitative Dynamics and Structure for Crystalline Cs₂WO₄ and KMnO₄ Determined from High-Field ¹⁷O Variable-Temperature MAS NMR Experiments. The Journal of Physical Chemistry Part C, 118(35), 20639-20646. https://doi.org/10.1021/jp505522a

Nielsen, K. M. E., Dittmer, J., Malmendal, A. & Nielsen, N. C. (2008). Quantitative Analysis of Constituents in Heavy Fuel Oil by 1H Nuclear Magnetic Resonance (NMR) Spectroscopy and Multivariate Data Analysis. Energy & Fuels, 22(6), 4070–4076. https://doi.org/10.1021/ef800539g

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, [17526]. https://doi.org/10.1038/srep17526

Malmos, K., Gouilleux, B. A., Sønderskov, P., Andersen, T., Frambøl, J. V. & Vosegaard, T. (2018). Quantification of Ammonium Phosphatide Emulsifiers in Chocolate Using ³¹P NMR Spectroscopy. Journal of Agricultural and Food Chemistry, 66(39), 10309–10316. https://doi.org/10.1021/acs.jafc.8b04379

Nielsen, J. T. & Mulder, F. A. A. (2019). Quality and bias of protein disorder predictors. Scientific Reports, 9, [5137]. https://doi.org/10.1038/s41598-019-41644-w

Vosegaard, T., Skibsted, J., Bildsøe, H. K. & Jakobsen, H. J. (1996). Quadrupole Coupling and Anisotropic Shielding from Single-Crystal NMR of the Central Transition for Quadrupolar Nuclei. ⁸⁷Rb NMR of RbClO₄ and Rb₂SO₄. Journal of Magnetic Resonance, 122(2), 111-119. https://doi.org/10.1006/jmra.1996.0186

Laustsen, C., Ringgaard, S., Pedersen, M. & Nielsen, N. C. (2010). Quadrupolar-coupling-specific binomial pulse sequences for in vivo(23)Na NMR and MRI. Journal of Magnetic Resonance, 206, 139-146. https://doi.org/10.1016/j.jmr.2010.06.017

Akbey, Ü., Nieuwkoop, A. J., Wegner, S., Voreck, A., Kunert, B., Bandara, P., Engelke, F., Nielsen, N. C. & Oschkinat, H. (2014). Quadruple-resonance magic-angle spinning NMR spectroscopy of deuterated solid proteins. Angewandte Chemie, 53(9), 2438-42. https://doi.org/10.1002/anie.201308927

Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1998). QCPMG-MAS NMR of Half-Integer Quadrupolar Nuclei. Journal of Magnetic Resonance, 131, 144-147.

Runager, K., Garcia-Castellanos, R., Valnickova, Z., Kristensen, T., Nielsen, N. C., Klintworth, G. K., Gomis-Ruth, F. X. & Enghild, J. J. (2009). Purification, crystallization and preliminary X-raydiffraction of wild-type and mutant recombinanthuman transforming growth factor b-inducedprotein (TGFBIp). Acta Crystallographica. Section F: Structural Biology and Crystallization Communications Online, 65, 299-303.

Displaying results 201 to 250 out of 862

5

Revised 01.09.2021

-

Lise Refstrup Linnebjerg Pedersen