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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Bjerring, M. & Nielsen, N. C. (2014). Forskningscenter: inSPIN Center for Insoluble Protein Structures. Biozoom, 2014(2), 1-9. http://www.biokemi.org/biozoom/issues/534/articles/2453

Nielsen, M., Thomsen, A. H., Jensen, T. R., Jakobsen, H. J., Skibsted, J. & Gothelf, K. V. (2005). Formation and Structure of Conjugated Salen-Cross-Linked Polymers and Their Application in Asymmetric Heterogeneous Catalysis. Eur. J. Org. Chem., 342-347.

Enemark-Rasmussen, K. & Skibsted, J. (2013). Fluoride ions as structural probes-ions in 19F MAS NMR studies of thermally activated SCM’s. Poster session presented at 1st International Conference on the Chemistry of Construction Materials, Berlin, Germany.

Enemark-Rasmussen, K., Tran, T. T. & Skibsted, J. (2013). Fluoride ions as structural probe-ions in ¹⁹F MAS NMR studies of cement materials and thermally activated SCMs. Advances in Cement Research, 26(4), 233-246. https://doi.org/10.1680/adcr.13.00024

Enemark-Rasmussen, K., Tran, T. T. & Skibsted, J. (2012). Fluoride ions as structural probe-ions in 19F MAS NMR studies of cement materials and thermally activated SCMs. In 32nd Cement and Concrete Science Conference 2012 (pp. 59-64)

Mancini, A., Wieland, E., Geng, G., Dähn, R., Skibsted, J., Wehrli, B. & Lothenbach, B. (2020). Fe(III) uptake by calcium silicate hydrates. Applied Geochemistry, 113, Article 104460. https://doi.org/10.1016/j.apgeochem.2019.104460

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

Grinderslev, J., Skov, L. N., Andreasen, J. G., Ghorwal, S., Skibsted, J. & Jensen, T. R. (2022). Fast solid-state LI-ION conductivity in LIBH4, facilitated by a neutral molecule. Poster session presented at Hydrides as Energy Materials 2022, Belgium.

Grinderslev, J., Skov, L. N., Andreasen, J. G., Skibsted, J., Ghorwal, S. & Jensen, T. R. (2022). Fast solid-state LI-ION conductivity in LIBH4, facilitated by a neutral molecule. Poster session presented at Gordon research conference and seminar: Batteries, California, United States.

Vosegaard, T. (2018). Fast simulations of multidimensional NMR spectra of proteins and peptides. Magnetic Resonance in Chemistry, 56(6), 438-448. https://doi.org/10.1002/mrc.4663

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.

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

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

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.

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

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

Wang, J., Norgaard, T., Kisielius, V., Wili, N., Muhmood, A., Wang, D., Carvalho, P. N., Nielsen, N. C. & Wu, S. (2024). Exploring the intensified catalytic role of biochar in facilitating advanced oxidation of tebuconazole. Chemical Engineering Journal, 498, Article 155025. https://doi.org/10.1016/j.cej.2024.155025

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.

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.

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.

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

Zajac, M., Maruyama, I., Iizuka, A. & Skibsted, J. (2023). Enforced carbonation of cementitious materials. Cement and Concrete Research, 174, Article 107285. https://doi.org/10.1016/j.cemconres.2023.107285

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. https://doi.org/10.1016/S0009-2614(03)00103-9

Bjerring, M., Rasmussen, J. T., Krogshave, R. S. & Nielsen, N. C. (2003). Heteronuclear coherence transfer in solid-state NMR using a gamma-encoded transferred echo experiment. Journal of Chemical Physics, 119, 8916-8926. https://doi.org/10.1063/1.1613933

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.

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.

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

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