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Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications

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Ali, A. A. A. I., Hoffmann, F., Schäfer, L. V. & Mulder, F. A. . A. (2022). Probing Methyl Group Dynamics in Proteins by NMR Cross-Correlated Dipolar Relaxation and Molecular Dynamics Simulations. Journal of Chemical Theory and Computation, 18(12), 7722-7732. https://doi.org/10.1021/acs.jctc.2c00568

Zajac, M., Skibsted, J., Bullerjahn, F. & Skocek, J. (2022). Semi-dry carbonation of recycled concrete paste. Journal of CO2 Utilization, 63, Article 102111. https://doi.org/10.1016/j.jcou.2022.102111

Stødkilde, K., Nielsen, J. T., Petersen, S. V., Paetzold, B., Brüggemann, H., Mulder, F. A. A. & Andersen, C. B. F. (2022). Solution Structure of the Cutibacterium acnes-Specific Protein RoxP and Insights Into Its Antioxidant Activity. Frontiers in cellular and infection microbiology, 12, Article 803004. https://doi.org/10.3389/fcimb.2022.803004

Lenard, A. J., Mulder, F. A. A. & Madl, T. (2022). Solvent paramagnetic relaxation enhancement as a versatile method for studying structure and dynamics of biomolecular systems. Progress in Nuclear Magnetic Resonance Spectroscopy, 132-133, 113-139. https://doi.org/10.1016/j.pnmrs.2022.09.001

Andersen, F. D., Pedersen, K. D., Wilkens Juhl, D., Mygind, T., Chopin, P., B. Svenningsen, E., Poulsen, T. B., Braad Lund, M., Schramm, A., Gotfredsen, C. H. & Tørring, T. (2022). Triculamin: An Unusual Lasso Peptide with Potent Antimycobacterial Activity. Journal of Natural Products, 85(6), 1514-1521. https://doi.org/10.1021/acs.jnatprod.2c00065

Hansen, A. R. E., Enemark-Rasmussen, K., Mulder, F. A. A., Jensen, P. R. & Meier, S. (2022). Versatile Procedures for Reliable NMR Quantification of CO2 Electroreduction Products. Journal of Physical Chemistry C, 126(27), 11026-11032. https://doi.org/10.1021/acs.jpcc.2c03448

Malmos, K. G., Lüdeking, A. H., Vosegaard, T., Aagaard, A., Bechsgaard, J., Sørensen, J. G. & Bilde, T. (2021). Behavioural and physiological responses to thermal stress in a social spider. Functional Ecology, 35(12), 2728-2742. https://doi.org/10.1111/1365-2435.13921

Nielsen, J. T. & Mulder, F. A. A. (2021). CheSPI: chemical shift secondary structure population inference. Journal of Biomolecular NMR, 75(6-7), 273-291. https://doi.org/10.1007/s10858-021-00374-w

Zajac, M., Skocek, J., Skibsted, J. & Ben Haha, M. (2021). Co₂ mineralization of demolished concrete wastes into a supplementary cementitious material – a new ccu approach for the cement industry. RILEM Technical Letters, 6, 53-60. https://doi.org/10.21809/rilemtechlett.2021.141

Haist, M., Divoux, T., Krakowiak, K. J., Skibsted, J., Pellenq, R. J. M., Müller, H. S. & Ulm, F. J. (2021). Creep in reactive colloidal gels: A nanomechanical study of cement hydrates. Physical Review Research , 3(4), Article 043127. https://doi.org/10.1103/PhysRevResearch.3.043127

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

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

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

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

Andersen, C. B., Yoshimura, Y., Nielsen, J., Otzen, D. E. & Mulder, F. A. A. (2021). How epigallocatechin gallate binds and assembles oligomeric forms of human alpha-synuclein. The Journal of Biological Chemistry, 296, Article 100788. https://doi.org/10.1016/j.jbc.2021.100788

Yang, S.-Y., Yan, Y., Lothenbach, B. & Skibsted, J. (2021). Incorporation of Sodium and Aluminum in Cementitious Calcium-Alumino-Silicate-Hydrate C‑(A)-S‑H Phases Studied by ²³Na, ²⁷Al, and ²⁹Si MAS NMR Spectroscopy. Journal of Physical Chemistry C, 125(51), 27975-27995. https://doi.org/10.1021/acs.jpcc.1c08419

Andersen, C., Grønnemose, A. L., Pedersen, J. N., Nowak, J. S., Christiansen, G., Nielsen, J., Mulder, F. A. A., Otzen, D. E. & Jørgensen, T. J. D. (2021). Lipid Peroxidation Products HNE and ONE Promote and Stabilize Alpha-Synuclein Oligomers by Chemical Modifications. Biochemistry, 60(47), 3644-3658. https://doi.org/10.1021/acs.biochem.1c00478

Mulder, F. A. A. (2021). NMR spectroscopy charges into protein surface electrostatics. Proceedings of the National Academy of Sciences (PNAS), 118(30), Article 2110176118. https://doi.org/10.1073/pnas.2110176118

Nielsen, I. G., Sommer, S., Dippel, A. C., Skibsted, J. & Iversen, B. B. (2021). Pair distribution function and⁷¹Ga NMR study of aqueous Ga³⁺complexes. Chemical Science, 12(43), 14420-14431. https://doi.org/10.1039/d1sc05190c

Vosegaard, T. (2021). Single-crystal NMR spectroscopy. Progress in Nuclear Magnetic Resonance Spectroscopy, 123, 51-72. https://doi.org/10.1016/j.pnmrs.2021.01.001

Skibsted, J., Payandeh, S., Ley, M. B. & Jensen, T. R. (2021). ¹¹B Nuclear Spin-Electron Spin Interactions in ¹¹B MAS NMR Spectra of Paramagnetic Metal Borohydrides. Journal of Physical Chemistry C, 125(1), 1113-1124. https://doi.org/10.1021/acs.jpcc.0c09829

Dass, R., Corlianò, E. & Mulder, F. A. A. (2021). The contribution of electrostatics to hydrogen exchange in the unfolded protein state. Biophysical Journal, 120(18), 4107-4114. https://doi.org/10.1016/j.bpj.2021.08.003

Fruergaard, S., Lund, M. B., Schramm, A., Vosegaard, T. & Bilde, T. (2021). The myth of antibiotic spider silk. iScience, 24(10), Article 103125. https://doi.org/10.1016/j.isci.2021.103125

Ahmed, H., Larsen, M. K., Hansen, M. R. & Andersen, C. U. (2021). The role of QT-prolonging medications in a forensic autopsy study from Western Denmark. Forensic Science International, 325, Article 110889. https://doi.org/10.1016/j.forsciint.2021.110889

Sobhani, S., Hosseini Moghadam, H., Skibsted, J. & Sansano, J. M. (2020). A hydrophilic heterogeneous cobalt catalyst for fluoride-free Hiyama, Suzuki, Heck and Hirao cross-coupling reactions in water. Green Chemistry, 22(4), 1353-1365. https://doi.org/10.1039/c9gc03455b

Grinderslev, J. B., Ley, M. B., Lee, Y. S., Jepsen, L. H., Jørgensen, M., Cho, Y. W., Skibsted, J. & Jensen, T. R. (2020). Ammine Lanthanum and Cerium Borohydrides, M(BH₄)₃· nNH₃; Trends in Synthesis, Structures, and Thermal Properties. Inorganic Chemistry, 59(11), 7768-7778. https://doi.org/10.1021/acs.inorgchem.0c00817

Yan, Y., Grinderslev, J. B., Jo̷rgensen, M., Skov, L. N., Skibsted, J. & Jensen, T. R. (2020). Ammine Magnesium Borohydride Nanocomposites for All-Solid-State Magnesium Batteries. ACS Applied Energy Materials, 3(9), 9264-9270. https://doi.org/10.1021/acsaem.0c01599

Zajac, M., Lechevallier, A., Durdzinski, P., Bullerjahn, F., Skibsted, J. & Ben Haha, M. (2020). CO2 mineralisation of Portland cement: Towards understanding the mechanisms of enforced carbonation. Journal of CO2 Utilization, 38, 398-415. https://doi.org/10.1016/j.jcou.2020.02.015

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), Article e0225953. https://doi.org/10.1371/journal.pone.0225953

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

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

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

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, Article 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, Article 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, Article 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, Article 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), Article 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), Article 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. 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), Article 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), Article 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. https://doi.org/10.1007/978-1-0716-0524-0_15

Bechinger, B., Juhl, D. W., Glattard, E. & Aisenbrey, C. (2020). Revealing the Mechanisms of Synergistic Action of Two Magainin Antimicrobial Peptides. Frontiers in Medical Technology, 2, Article 615494. https://doi.org/10.3389/fmedt.2020.615494

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

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Lise Refstrup Linnebjerg Pedersen