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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Srivastava, D., Vosegaard, T., Massiot, D. & Grandinetti, P. J. (2020). Core Scientific Dataset Model: A lightweight and portable model and file format for multi-dimensional scientific data. PLOS ONE, 15(1), [e0225953]. https://doi.org/10.1371/journal.pone.0225953

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

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

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, [104460]. https://doi.org/10.1016/j.apgeochem.2019.104460

Guo, X., Sarup, P. M., Jensen, J. D., Jihad, O., Kristensen, N. H., Mulder, F. A. A., Jahoor, A. & Jensen, J. (2020). Genetic Variance of Metabolomic Features and Their Relationship With Malting Quality Traits in Spring Barley. Frontiers in Plant Science, 11, [575467]. https://doi.org/10.3389/fpls.2020.575467

Joseph, S., Skibsted, J. & Cizer, Ö. (2020). Hydration of polyphase Ca₃SiO₅-Ca₃Al₂O₆ in the presence of gypsum and Na₂SO₄. Journal of the American Ceramic Society, 103(11), 6461-6474. https://doi.org/10.1111/jace.17321

Khazaee, A., Jahanshahi, R., Sobhani, S., Skibsted, J. & Sansano, J. M. (2020). Immobilized piperazine on the surface of graphene oxide as a heterogeneous bifunctional acid-base catalyst for the multicomponent synthesis of 2-amino-3-cyano-4H -chromenes. Green Chemistry, 22(14), 4604-4616. https://doi.org/10.1039/d0gc01274b

Nie, S., Thomsen, R. M. & Skibsted, J. (2020). Impact of Mg substitution on the structure and pozzolanic reactivity of calcium aluminosilicate (CaO-Al₂O₃-SiO₂) glasses. Cement and Concrete Research, 138, [106231]. https://doi.org/10.1016/j.cemconres.2020.106231

Hafiz, M. A., Skibsted, J. & Denarié, E. (2020). Influence of low curing temperatures on the tensile response of low clinker strain hardening UHPFRC under full restraint. Cement and Concrete Research, 128, [105940]. https://doi.org/10.1016/j.cemconres.2019.105940

Zajac, M., Skibsted, J., Durdzinski, P., Bullerjahn, F., Skocek, J. & Ben Haha, M. (2020). Kinetics of enforced carbonation of cement paste. Cement and Concrete Research, 131, [106013]. https://doi.org/10.1016/j.cemconres.2020.106013

Dass, R., Mulder, F. A. A. & Nielsen, J. T. (2020). ODiNPred: comprehensive prediction of protein order and disorder. Scientific Reports, 10(1), [14780]. https://doi.org/10.1038/s41598-020-71716-1

Sørensen, J. J. W. H., Nyemann, J. S., Motzoi, F., Sherson, J. & Vosegaard, T. (2020). Optimization of Pulses with Low Bandwidth for Improved Excitation of Multiple-Quantum Coherences in NMR of Quadrupolar Nuclei. Journal of Chemical Physics, 152(5), [054104]. https://doi.org/10.1063/1.5141384

Dass, R. & Mulder, F. A. A. (2020). Paris-DÉCOR: A Protocol for the Determination of Fast Protein Backbone Amide Hydrogen Exchange Rates. In B. B. Kragelund & K. Skriver (Eds.), Intrinsically Disordered Proteins (pp. 337-344). Humana Press. Methods in Molecular Biology Vol. 2141 https://doi.org/10.1007/978-1-0716-0524-0_17

Zajac, M., Skibsted, J., Skocek, J., Durdzinski, P., Bullerjahn, F. & Ben Haha, M. (2020). Phase assemblage and microstructure of cement paste subjected to enforced, wet carbonation. Cement and Concrete Research, 130(April), [105990]. https://doi.org/10.1016/j.cemconres.2020.105990

Nagaraj, M., Ahmed, M., Lyngsø, J., Vad, B. S., Bøggild, A., Fillipsen, A., Pedersen, J. S., Otzen, D. E. & Akbey, Ü. (2020). Predicted Loop Regions Promote Aggregation: A Study of Amyloidogenic Domains in the Functional Amyloid FapC. Journal of Molecular Biology, 432(7), 2232-2252. https://doi.org/10.1016/j.jmb.2020.01.044

Hoffmann, F., Mulder, F. A. A. & Schäfer, L. V. (2020). Predicting NMR relaxation of proteins from molecular dynamics simulations with accurate methyl rotation barriers. Journal of Chemical Physics, 152(8), [084102]. https://doi.org/10.1063/1.5135379

Sommer, S., Bøjesen, E. D., Lock, N., Kasai, H., Skibsted, J., Nishibori, E. & Iversen, B. B. (2020). Probing the validity of the spinel inversion model: a combined SPXRD, PDF, EXAFS and NMR study of ZnAl₂O₄. Dalton Transactions, 49(38), 13449-13461. https://doi.org/10.1039/d0dt02795b

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

Yoshimura, Y. & Mulder, F. A. A. (2020). Sensitive and simplified: a combinatorial acquisition of five distinct 2D constant-time ¹³C− ¹H NMR protein correlation spectra. Journal of Biomolecular NMR, 74(12), 695-706. https://doi.org/10.1007/s10858-020-00341-x

Wodarz, S., Slaby, N. A., Zimmermann, M. C., Otto, T. N., Holzinger, J., Skibsted, J., Zevaco, T. A., Pitter, S. & Sauer, J. (2020). Shaped Hierarchical H-ZSM-5 Catalysts for the Conversion of Dimethyl Ether to Gasoline. Industrial and Engineering Chemistry Research, 59(40), 17689-17707. https://doi.org/10.1021/acs.iecr.9b06256

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

Juhl, D. W., Glattard, E., Lointier, M., Bampilis, P. & Bechinger, B. (2020). The Reversible Non-covalent Aggregation Into Fibers of PGLa and Magainin 2 Preserves Their Antimicrobial Activity and Synergism. Frontiers in cellular and infection microbiology, 10, [526459]. https://doi.org/10.3389/fcimb.2020.526459

Juhl, D. W., Tosner, Z. & Vosegaard, T. (2020). Versatile NMR simulations using SIMPSON. Annual Reports on N M R Spectroscopy, 100(Chapter One), 1-59. https://doi.org/10.1016/bs.arnmr.2019.12.001

Joseph, S., Skibsted, J. & Cizer, Ö. (2019). A quantitative study of the C₃A hydration. Cement and Concrete Research, 115, 145-159. https://doi.org/10.1016/j.cemconres.2018.10.017

Sharma, K., Equbal, A., Nielsen, N. C. & Madhu, P. K. (2019). A unified heteronuclear decoupling picture in solid-state NMR under low radio-frequency amplitude and fast magic-angle-spinning frequency regime. Journal of Chemical Physics, 150(14), [144201]. https://doi.org/10.1063/1.5082352

Gouilleux, B., Christensen, N. V., Malmos, K. G. & Vosegaard, T. (2019). Analytical Evaluation of Low-Field ³¹P NMR Spectroscopy for Lipid Analysis. Analytical Chemistry, 91(4), 3035-3042. https://doi.org/10.1021/acs.analchem.8b05416

Juhl, D. W., Risør, M. W., Scavenius, C., Rasmussen, C. B., Otzen, D., Nielsen, N. C. & Enghild, J. J. (2019). Conservation of the Amyloid Interactome Across Diverse Fibrillar Structures. Scientific Reports, 9(1), [3863]. https://doi.org/10.1038/s41598-019-40483-z

Sommer, S., Iversen, B. B., Lock, N., Skibsted, J., Kasai, H. & Bøjesen, E. D. (2019). Defects wrongly modelled as inversion: The case of ZnAl₂O₄ spinels . Poster session presented at european crystallographic meeting , Wien, Austria.

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

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

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

Xue, M., Wakamoto, T., Kejlberg, C., Yoshimura, Y., Nielsen, T. A., Risør, M. W., Sanggaard, K. W., Kitahara, R. & Mulder, F. A. A. (2019). How internal cavities destabilize a protein. Proceedings of the National Academy of Sciences, 116(42), 21031-21036. https://doi.org/10.1073/pnas.1911181116

Holzinger, J., Nielsen, M., Beato, P., Brogaard, R. Y., Buono, C., Dyballa, M., Falsig, H., Skibsted, J. & Svelle, S. (2019). Identification of Distinct Framework Aluminum Sites in Zeolite ZSM-23: A Combined Computational and Experimental ²⁷ Al NMR Study. Journal of Physical Chemistry C, 123(13), 7831-7844. https://doi.org/10.1021/acs.jpcc.8b06891

Vu-Quang, H., Vinding, M. S., Jakobsen, M., Song, P., Dagnaes-Hansen, F., Nielsen, N. C. & Kjems, J. (2019). Imaging rheumatoid arthritis in mice using combined near infrared and ¹⁹F magnetic resonance modalities. Scientific Reports, 9, [14314]. https://doi.org/10.1038/s41598-019-50043-0

Thøgersen, J., Bak, E. N., Finster, K., Nørnberg, P., Jakobsen, H. J. & Knak Jensen, S. J. (2019). Light on windy nights on Mars: A study of saltation-mediated ionization of argon in a Mars-like atmosphere. Icarus, 332, 14-18. https://doi.org/10.1016/j.icarus.2019.06.025

Dass, R., Corlianò, E. & Mulder, F. A. A. (2019). Measurement of Very Fast Exchange Rates of Individual Amide Protons in Proteins by NMR Spectroscopy. ChemPhysChem, 20(2), 231-235. https://doi.org/10.1002/cphc.201801044

Garg, N., Özçelik, V. O., Skibsted, J. & White, C. E. (2019). Nanoscale Ordering and Depolymerization of Calcium Silicate Hydrates in the Presence of Alkalis. Journal of Physical Chemistry C, 123(40), 24873-24883. https://doi.org/10.1021/acs.jpcc.9b06412

Nielsen, S. D., Paegle, I., Borisov, S. M., Kjeldsen, K. U., Røy, H., Skibsted, J. & Koren, K. (2019). Optical sensing of ph and o₂ in the evaluation of bioactive self-healing cement. ACS Omega, 4(23), 20237-20243. https://doi.org/10.1021/acsomega.9b02541

Vu-Quang, H., Vinding, M. S., Nielsen, T., Ullisch, M. G., Nielsen, N. C., Nguyen, D. T. & Kjems, J. (2019). Pluronic F127-folate coated super paramagenic iron oxide nanoparticles as contrast agent for cancer diagnosis in magnetic resonance imaging. Polymers, 11(4), [743]. https://doi.org/10.3390/polym11040743

Grinderslev, J. B., Moller, K. T., Yan, Y., Chen, X-M., Li, Y., Li, H-W., Zhou, W., Skibsted, J., Chen, X. & Jensen, T. R. (2019). Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor. Dalton Transactions, 48(24), 8872-8881. https://doi.org/10.1039/c9dt00742c

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

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

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

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.

Nielsen, A. B., Hansen, M. R., Andersen, J. E. & Vosegaard, T. (2019). Single-Spin Vector Analysis of Strongly Coupled Nuclei in TOCSY NMR Experiments. Journal of Chemical Physics, 151(13), [134117]. https://doi.org/10.1063/1.5123046

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

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

Molino, A., Holzinger, J., Lukaszuk, K. A., Rojo-Gama, D., Gunnaes, A. E., Skibsted, J., Lundegaard, L. F., Svelle, S., Beato, P., Bordiga, S. & Lillerud, K. P. (2019). Synthesis of ZSM-23 (MTT) zeolites with different crystal morphology and intergrowths: effects on the catalytic performance in the conversion of methanol to hydrocarbons. Catalysis Science & Technology, 9(23), 6782-6792. https://doi.org/10.1039/c9cy01068h

Hoffmann, F., Mulder, F. A. A. & Schaefer, L. V. (2018). Accurate Methyl Group Dynamics in Protein Simulations with AMBER Force Fields. Journal of Physical Chemistry B, 122(19), 5038-5048. https://doi.org/10.1021/acs.jpcb.8b02769

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

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Lise Refstrup Linnebjerg Pedersen