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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Mentink-Vigier, F. F., Akbey, U., Hovav, Y. Y., Vega, S. S. S. S., Oschkinat, H. H. & Feintuch, A. A. (2012). Fast passage dynamic nuclear polarization on rotating solids. Journal of Magnetic Resonance, 224, 13-21. https://doi.org/10.1016/j.jmr.2012.08.013

Vinding, M. S., Maximov, I., Tosner, Z. & Nielsen, N. C. (2013). Fast monotonic convergent optimal control algorithm for 2D RF pulses mitigating B0 and B1 inhomogeneities. Poster session presented at ISMRM 2013, Salt Lake City, United States.

Malmendal, A., Underhaug, J., Otzen, D. E. & Nielsen, N. C. (2010). Fast mapping of global protein folding states by multivariate NMR: a GPS for proteins. P L o S One, 5(4), e10262. https://doi.org/10.1371/journal.pone.0010262

Vinding, M. S., Brenner, D., Tse, D. H. Y., Stöcker, T., Nielsen, N. C., Suter, D. & Maximov, I. (2015). Fast design of 2D spatially selective RF pulses for parallel transmit at ultra-high fields. Poster session presented at ESMRMB, Edinburgh, United Kingdom.

Hansen, M. R., Feng, X., MacHo, V., Müllen, K., Spiess, H. W. & Floudas, G. (2011). Fast and slow dynamics in a discotic liquid crystal with regions of columnar order and disorder. Physical Review Letters, 107(25), [257801]. https://doi.org/10.1103/PhysRevLett.107.257801

Jensen, O. N., Beyer, M., Sørensen, M. K., Kreimeyer, M. & Nielsen, N. C. (2021). Fast and accurate quantification of nitrogen and phosphorus constituents in animal slurries using NMR sensor technology. ACS Omega, 6(27), 17335-17341. https://doi.org/10.1021/acsomega.1c01441

Mulder, F. A. A., Tenori, L. & Luchinat, C. (2019). Fast and Quantitative NMR Metabolite Analysis Afforded by a Paramagnetic Co-Solute. Angewandte Chemie - International Edition, 58(43), 15283-15286. https://doi.org/10.1002/anie.201908006

Sørensen, M. K., M. Balsgart, N., Jensen, O., Nielsen, N. C. & Vosegaard, T. (2018). Fast Wide‐Line Solid‐State NMR on a Low‐Cost Benchtop Spectrometer. ChemPhysChem, 19(22), 2985-2988. https://doi.org/10.1002/cphc.201800711

Yan, Y., Grinderslev, J. B., Burankova, T., Wei, S., Embs, J. P., Skibsted, J. & Jensen, T. R. (2022). Fast Room-Temperature Mg²⁺ Conductivity in Mg(BH₄)₂·1.6NH₃-Al₂O₃ Nanocomposites. The Journal of Physical Chemistry Letters, 13(9), 2211-2216. https://doi.org/10.1021/acs.jpclett.2c00136

Vinding, M. S., Maximov, I., Tosner, Z. & Nielsen, N. C. (2012). Fast Optimal Control in MRI. Poster session presented at QUAINT, Southampton, United Kingdom.

Vinding, M. S., Maximov, I., Tosner, Z. & Nielsen, N. C. (2012). Fast Numerical Design of Spatial-Selective RF Pulses in MRI using Krotov and Quasi-Newton Based Optimal Control Methods. Journal of Chemical Physics, 137.

Balsgart, N. M. & Vosegaard, T. (2012). Fast Forward Maximum Entropy Reconstruction of Sparsely Sampled Data. Journal of Magnetic Resonance, 223, 164. https://doi.org/10.1016/j.jmr.2012.07.002

Shi, Z., Lothenbach, B., Geiker, M. R., Kaufmann, J., Leemann, A., Ferreiro, S. & Skibsted, J. (2016). Experimental studies and thermodynamic modeling of the carbonation of Portland cement, metakaolin and limestone mortars. Cement and Concrete Research, 88, 60-72. https://doi.org/10.1016/j.cemconres.2016.06.006

Jakobsen, H. J., Bildsøe, H. K., Gan, Z. & Brey, W. W. (2011). Experimental aspects in acquisition of wide bandwidth solid-state MAS NMR spectra of low-γ nuclei with different opportunities on two commercial NMR spectrometers. Journal of Magnetic Resonance, 211(2), 195-206. https://doi.org/10.1016/j.jmr.2011.05.015

Jakobsen, H. J., Bildsøe, H., Bondesgaard, M., Iversen, B. B., Brorson, M., Larsen, F. H., Gan, Z. & Hung, I. (2021). Exciting Opportunities for Solid-State ⁹⁵Mo NMR Studies of MoS₂Nanostructures in Materials Research from a Low to an Ultrahigh Magnetic Field (35.2 T). Journal of Physical Chemistry C, 125(14), 7824-7838. https://doi.org/10.1021/acs.jpcc.0c10522

Siminovitch, D., Untidt, T. S. & Nielsen, N. C. (2004). Exact effective Hamiltonian theory. II: Expansion of matrix functions and entangled unitary exponential operators. Journal of Chemical Physics, 120, 51-66.

Moesgaard, M., Keding, R., Skibsted, J. & Yue, Y. (2010). Evidence of intermediate-range order heterogeneity in calcium aluminosilicate glasses. Chemistry of Materials, 22(15), 4471-4483.

Christodoulou, J., Malmendal, A., Harper, J. F. & Chazin, W. J. (2004). Evidence for differing roles for each lobe of the Calmodulin-like domain in a calcium-dependent protein kinase (CDPK). J. Bio. Chem., 279, 29092-29100.

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.

Løvschall, H., Ranjkesh, B., Skibsted, J., Isidor, F. & Thomsen, J. S. (2015). Evaluation of fast-setting calcium silicate (Protooth): fluoride-release, compressive strength, radiopacity. Abstract from 47th Meeting of the Continental European Division of the International Association for Dental Research (CED-IADR), Antalya, Turkey.

Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. B. (2006). Evaluation of ²⁷Al and ⁵¹V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO₄) by Density Functional Theory Calculations. J. Phys. Chem. B., 110, 5975-5983.

Vinding, M. S., Guérin, B., Vosegaard, T. & Chr. Nielsen, N. (2019). Erratum to: Local SAR, global SAR, and power-constrained large-flip-angle pulses with optimal control and virtual observation points: SAR Constrained Large-Flip-Angle Pulses (Magnetic Resonance in Medicine, (2017), 77, 1, (374-384), 10.1002/mrm.26086). Magnetic Resonance in Medicine, 81(3), 2195-2195. https://doi.org/10.1002/mrm.27581

Henriksen, M. L., Ravnsbæk, J. B., Bjerring, M., Vosegaard, T., Daasbjerg, K. & Hinge, M. (2017). Epoxy Matrices Modified by Green Additives for Recyclable Materials. ChemSusChem (Print), 10(14), 2936-2944. https://doi.org/10.1002/cssc.201700712

Lewandowski, J. R., Dumez, J. N., Akbey, Ü., Lange, S., Emsley, L. & Oschkinat, H. (2011). Enhanced resolution and coherence lifetimes in the solid-state NMR spectroscopy of perdeuterated proteins under ultrafast magic-angle spinning. The Journal of Physical Chemistry Letters, 2(17), 2205-2211. https://doi.org/10.1021/jz200844n

Fritzsche, M., Bohle, A., Dudenko, D., Baumeister, U., Sebastiani, D., Richardt, G., Spiess, H. W., Hansen, M. R. & Höger, S. (2011). Empty helical nanochannels with adjustable order from low-symmetry macrocycles. Angewandte Chemie International Edition, 50(13), 3030-3. https://doi.org/10.1002/anie.201007437

Hohwy, M. & Nielsen, N. C. (1997). Elimination of high order terms in multiple pulse nuclear magneticresonance spectroscopy: Application to homonuclear decoupling in solids. Journal of Chemical Physics, 106, 7574-7586.

Lindman, S., Linse, S., Mulder, F. A. A. & André, I. (2006). Electrostatic contributions to residue-specific protonation equilibria and proton binding capacitance for a small protein. Biochemistry, 45(47), 13993-14002. https://doi.org/10.1021/bi061555v

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

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.

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.

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

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.

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.

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

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, [106804]. https://doi.org/10.1016/j.cemconres.2022.106804

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, [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, [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, [106636]. https://doi.org/10.1016/j.cemconres.2021.106636

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), [2297]. https://doi.org/10.3390/ma15062297

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. RILEM Bookseries Vol. 25 https://doi.org/10.1007/978-981-15-2806-4_33

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

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

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

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

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.

Displaying results 551 to 600 out of 863

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Lise Refstrup Linnebjerg Pedersen