Publications

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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

Jørgensen, M., Lee, Y. S., Bjerring, M., Jepsen, L. H., Akbey, Ü., Cho, Y. W. & Jensen, T. R. (2018). Disorder induced polymorphic transitions in the high hydrogen density compound Sr(BH₄)₂(NH₃BH₃)₂. Dalton transactions (Cambridge, England : 2003), 47(46), 16737-16746. https://doi.org/10.1039/c8dt03654c

Holzinger, J., Beato, P., Lundegaard, L. F. & Skibsted, J. (2018). Distribution of Aluminum over the Tetrahedral Sites in ZSM-5 Zeolites and Their Evolution after Steam Treatment. The Journal of Physical Chemistry Part C, 122(27), 15595-15613. https://doi.org/10.1021/acs.jpcc.8b05277

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

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

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

Mulder, F. A. A. (2018). Fuzzy and fast nuclear transport. Journal of Biological Chemistry, 293(12), 4564-4565. https://doi.org/10.1074/jbc.H118.002129

Pinilla-Herrero, I., Borfecchia, E., Holzinger, J., Mentzel, U. V., Joensen, F., Lomachenko, K. A., Bordiga, S., Lamberti, C., Berlier, G., Olsbye, U., Svelle, S., Skibsted, J. & Beato, P. (2018). High Zn/Al ratios enhance dehydrogenation vs hydrogen transfer reactions of Zn-ZSM-5 catalytic systems in methanol conversion to aromatics. Journal of Catalysis, 362, 146-163. https://doi.org/10.1016/j.jcat.2018.03.032

Pedersen, M. T., Lothenbach, B., Winnefeld, F. & Skibsted, J. (2018). Hydrate Phase Assemblages in Calcium Sulfoaluminate - Metakaolin - Limestone Blends. In Calcined Clays for Sustainable Concrete - Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete: Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete (Vol. 16, pp. 352-357). Springer. https://doi.org/10.1007/978-94-024-1207-9_57

Jensen, S. R. H., Paskevicius, M., Hansen, B. R. S., Jakobsen, A. S., Møller, K. T., White, J. L., Allendorf, M. D., Stavila, V., Skibsted, J. & Jensen, T. R. (2018). Hydrogenation properties of lithium and sodium hydride- closo -borate, [B₁₀H₁₀]^2- and [B₁₂H₁₂]^2-, composites. Physical Chemistry Chemical Physics, 20(23), 16266-16275. https://doi.org/10.1039/c7cp07776a

Ruiz-Santaquiteria, C. & Skibsted, J. (2018). Identification of reactive sites in calcined kaolinite and montmorillonite from a combination of chemical methods and solid-state nmr spectroscopy. In F. Martirena , A. Favier & K. Scrivener (Eds.), Calcined Clays for Sustainable Concrete - Proceedings of the 2nd International Conference on Calcined Clays for Sustainable Concrete (Vol. 16, pp. 404-408). Springer. https://doi.org/10.1007/978-94-024-1207-9_65

Vosegaard, T. (2018). iSpec: A Web-Based Activity for Spectroscopy Teaching. Journal of Chemical Education, 95(1), 90-103. https://doi.org/10.1021/acs.jchemed.7b00482

Orsted, M., Malmendal, A., Munoz, J. & Kristensen, T. N. (2018). Metabolic and functional phenotypic profiling of Drosophila melanogaster reveals reduced sex differentiation under stressful environmental conditions. Biological Journal of the Linnean Society, 123(1), 155-162. https://doi.org/10.1093/biolinnean/blx120

Sandfeld, T., Wurster, M., Malmos, K., Bechsgaard, J. S., Lalk, M., Vosegaard, T., Bilde, T. & Schramm, A. (2018). Metabolite Profiling of Social Spiders (Stegodyphus dumicola) along a Climate Gradient. Poster session presented at 17th International Symposium on Microbial Ecology, Leipzig, Germany.

Hoffmann, F., Xue, M., Schäfer, L. V. & Mulder, F. A. A. (2018). Narrowing the gap between experimental and computational determination of methyl group dynamics in proteins. Physical Chemistry Chemical Physics, 20(38), 24577-24590. https://doi.org/10.1039/c8cp03915a

Kitahara, R., Sakuraba, S., Kameda, T., Okuda, S., Xue, M. & Mulder, F. A. A. (2018). Nuclear magnetic resonance-based determination of dioxygen binding sites in protein cavities. Protein Science, 27(3), 769-779. https://doi.org/10.1002/pro.3371

Tamiola, K., Scheek, R. M., Van Der Meulen, P. & Mulder, F. A. A. (2018). PepKalc: Scalable and comprehensive calculation of electrostatic interactions in random coil polypeptides. Bioinformatics, 34(12), 2053-2060. https://doi.org/10.1093/bioinformatics/bty033

Nielsen, J. T. & Mulder, F. A. A. (2018). POTENCI: prediction of temperature, neighbor and pH-corrected chemical shifts for intrinsically disordered proteins. Journal of Biomolecular NMR, 70(3), 141-165. https://doi.org/10.1007/s10858-018-0166-5

Kurnik, M., Sahin, C., Andersen, C. B., Lorenzen, N., Giehm, L., Mohammad-Beigi, H., Jessen, C. M., Pedersen, J. S., Christiansen, G., Petersen, S. V., Staal, R., Krishnamurthy, G., Pitts, K., Reinhart, P. H., Mulder, F. A. A., Mente, S., Hirst, W. D. & Otzen, D. E. (2018). Potent α-Synuclein Aggregation Inhibitors, Identified by High-Throughput Screening, Mainly Target the Monomeric State. Cell Chemical Biology, 25(11), 1389-1402. https://doi.org/10.1016/j.chembiol.2018.08.005

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

Madl, T. & Mulder, F. A. A. (2018). Small Paramagnetic Co-solute Molecules. In C. Luchinat, G. Parigi & E. Ravera (Eds.), Paramagnetism in Experimental Biomolecular NMR (Vol. 2018/16, pp. 283-309). Royal Society of Chemistry. https://doi.org/10.1039/9781788013291-00283

Diehl, A., Roske, Y., Ball, L., Chowdhury, A., Hiller, M., Moliere, N., Kramer, R., Stoeppler, D., Worth, C. L., Schlegel, B., Leidert, M., Cremer, N., Erdmann, N., Lopez, D., Stephanowitz, H., Krause, E., van Rossum, B.-J., Schmieder, P., Heinemann, U. ... Oschkinat, H. (2018). Structural changes of TasA in biofilm formation of Bacillus subtilis. Proceedings of the National Academy of Sciences (PNAS), 115(13), 3237-3242. https://doi.org/10.1073/pnas.1718102115

Pedersen, M. T., Jensen, F. & Skibsted, J. (2018). Structural Investigation of Ye'elimite, Ca₄Al₆O₁₂SO₄, by ²⁷Al MAS and MQMAS NMR at Different Magnetic Fields. Journal of Physical Chemistry C, 122(22), 12077-12089. https://doi.org/10.1021/acs.jpcc.8b02497

Mortensen, H. G., Jensen, G. V., Hansen, S. K., Vosegaard, T. & Pedersen, J. S. (2018). Structure of phospholipid mixed micelles (Bicelles) studied by small-angle X-ray scattering. Langmuir, 34(48), 14597-14607. https://doi.org/10.1021/acs.langmuir.8b02704

Møller, K. T., Jørgensen, M., Andreasen, J. G., Skibsted, J., Łodziana, Z., Filinchuk, Y. & Jensen, T. R. (2018). Synthesis and thermal decomposition of potassium tetraamidoboranealuminate, K[Al(NH₂BH₃)₄]. International Journal of Hydrogen Energy, 43(1), 311-321. https://doi.org/10.1016/j.ijhydene.2017.11.080

Thomsen, R. M., Skibsted, J. & Yue, Y. (2018). The Charge-Balancing Role of Calcium and Alkali Ions in Per-Alkaline Aluminosilicate Glasses. Journal of Physical Chemistry B, 122(12), 3184-3195. https://doi.org/10.1021/acs.jpcb.7b12437

Pedersen, M. T. & Skibsted, J. (2017). 27Al MAS and MQMAS NMR Study of Ye’elimite and its Detection in Cement Blends. Poster session presented at 38th Danish NMR Meeting 2017, Nyborg, Denmark.

Oktaviani, N. A., Pool, T. J., Yoshimura, Y., Kamikubo, H., Scheek, R. M., Kataoka, M. & Mulder, F. A. A. (2017). Active-Site pKa Determination for Photoactive Yellow Protein Rationalizes Slow Ground-State Recovery. Biophysical Journal, 112(10), 2109-2116. https://doi.org/10.1016/j.bpj.2017.04.008

Shankar, R., Ernst, M., Madhu, P. K., Vosegaard, T., Nielsen, N. C. & Nielsen, A. B. (2017). A general theoretical description of the influence of isotropic chemical shift in dipolar recoupling experiments for solid-state NMR. Journal of Chemical Physics, 146(13), Article 134105. https://doi.org/10.1063/1.4979123

Møller, K. T., Andreasen, J. G., Jørgensen, M., Skibsted, J., Łodziana, Z., Filinchuk, Y. & Jensen, T. R. (2017). A Potassium and Aluminium based Amidoborane. Poster session presented at iNano Annual Meeting 2017, Aarhus, Denmark.

Vinding, M. S., Brenner, D., Tse, D. H. Y., Vellmer, S., Vosegaard, T., Suter, D., Stöcker, T. & Maximov, I. (2017). Application of the limited-memory quasi-Newton algorithm for multi-dimensional, large flip-angle RF pulses at 7T. Magnetic Resonance Materials in Physics, Biology and Medicine, 30(1), 29-39. https://doi.org/10.1007/s10334-016-0580-1

Li, J., Vosegaard, T. & Guo, Z. (2017). Applications of nuclear magnetic resonance in lipid analyses: An emerging powerful tool for lipidomics studies. Progress in Lipid Research, 68, 37-56. https://doi.org/10.1016/j.plipres.2017.09.003

Tosner, Z., Nielsen, N. C. & Vinding, M. S. (2017). Computational design of NMR pulse sequences. In J. C. Lindon, G. E. Tranter & D. W. Koppenaal (Eds.), Encyclopedia of Spectroscopy and Spectrometry: Encyclopedia of Spectroscopy and Spectrometry (Third Edition) (3rd ed., pp. 341–349). Elsevier. https://doi.org/10.1016/B978-0-12-409547-2.12105-5

Malmos, K. G., Bjerring, M., Jessen, C. M., Nielsen, E. H. T., Poulsen, E. T., Christiansen, G., Vosegaard, T., Skrydstrup, T., Enghild, J. J., Pedersen, J. S. & Otzen, D. E. (2017). Correction to: How glycosaminoglycans promote fibrillation of salmon calcitonin. Journal of Biological Chemistry, 292(38), 15992. https://doi.org/10.1074/jbc.A116.715466

Risør, M. W., Juhl, D. W., Bjerring, M., Mathiesen, J., Enghild, J. J., Nielsen, N. C. & Otzen, D. E. (2017). Critical Influence of Cosolutes and Surfaces on the Assembly of Serpin-Derived Amyloid Fibrils. Biophysical Journal, 113(3), 580-596. https://doi.org/10.1016/j.bpj.2017.06.030

Jakobsen, H. J., Lindhardt, A. T., Bildsøe, H., Skibsted, J., Gan, Z., Hung, I. & Larsen, F. H. (2017). Dynamic Solid-State NMR Experiments Reveal Structural Changes for a Methyl Silicate Nanostructure on Deuterium Substitution. Journal of Physical Chemistry C, 121(47), 26507-26518. https://doi.org/10.1021/acs.jpcc.7b08826

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

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

Shi, Z., Geiker, M. R., Lothenbach, B., De Weerdt, K., Garzon, S. F., Enemark-Rasmussen, K. & Skibsted, J. (2017). Friedel’s salt profiles from thermogravimetric analysis and thermodynamic modelling of Portland cement-based mortars exposed to sodium chloride solution. Cement and Concrete Composites, 78, 73-83. https://doi.org/10.1016/j.cemconcomp.2017.01.002

Jakobsen, H. J. (2017). Halvtreds år med NMR-spektroskopi i kemiens tjeneste ved Institut for Kemi, Aarhus Universitet. In T. Damhus, P. E. Hansen, C. B. Knudsen & A. Petersen (Eds.), Molekylespektroskopi - et stykke dansk kemihistorie (Vol. 23, pp. 193-223). Dansk Selskab for Historisk Kemi.

Vestergaard, M., Christensen, M., Hansen, S. K., Gronvall, D., Kjolbye, L. R., Vosegaard, T. & Schiott, B. (2017). How a short pore forming peptide spans the lipid membrane. Biointerphases, 12(2), Article 02D405. https://doi.org/10.1116/1.4982642

Sobhani, S., Zarifi, F. & Skibsted, J. (2017). Immobilized Lanthanum(III) Triflate on Graphene Oxide as a New Multifunctional Heterogeneous Catalyst for the One-Pot Five-Component Synthesis of Bis(pyrazolyl)methanes. ACS Sustainable Chemistry & Engineering, 5(6), 4598-4606. https://doi.org/10.1021/acssuschemeng.6b03047

Kunther, W., Ferreiro, S. & Skibsted, J. (2017). Influence of the Ca/Si ratio on the compressive strength of cementitious calcium-silicate-hydrate binders. Journal of Materials Chemistry A, 5(33), 17401-17412. https://doi.org/10.1039/c7ta06104h

Sobhani, S., Zarifi, F. & Skibsted, J. (2017). Ionic liquids grafted onto graphene oxide as a new multifunctional heterogeneous catalyst and its application in the one-pot multi-component synthesis of hexahydroquinolines. New Journal of Chemistry, 41(14), 6219-6225. https://doi.org/10.1039/c7nj00063d

Vinding, M. S., Guérin, B., Vosegaard, T. & Nielsen, N. C. (2017). Local SAR, global SAR, and power-constrained large-flip- angle pulses with optimal control and virtual observation points. Magnetic Resonance in Medicine, 77(1), 374–384. https://doi.org/10.1002/mrm.26086

Yoshimura, Y., Holmberg, M., Kukic, P., Andersen, C. B., Mata-Cabana, A., Falsone, S. F., Vendruscolo, M., Nollen, E. A. A. & Mulder, F. (2017). MOAG-4 promotes the aggregation of α-synuclein by competing with self-protective electrostatic interactions. Journal of Biological Chemistry, 292(20), 8269-8278. https://doi.org/10.1074/jbc.M116.764886

Bowen, S., Rybalko, O., Petersen, J. R., Vinding, M. S., Ullisch, M. G., Nielsen, N. C. & Ardenkjær-Larsen, J. H. (2017). Multi-Field Cryogen Free Dissolution-DNP at 3.35, 6.70, and 10.05 T. Abstract from 13th EUROMAR 2017, Warsaw.

Nielsen, N. S., Juhl, D. W., Poulsen, E. T., Lukassen, M. V., Poulsen, E. C., Risør, M. W., Scavenius, C. & Enghild, J. J. (2017). Mutation-Induced Deamidation of Corneal Dystrophy-Related Transforming Growth Factor β-Induced Protein. Biochemistry, 56(49), 6470–6480. https://doi.org/10.1021/acs.biochem.7b00668

Mortensen, H. G., Madsen, J. K., Andersen, K. K., Vosegaard, T., Deen, G. R., Otzen, D. E. & Pedersen, J. S. (2017). Myoglobin and α-Lactalbumin Form Smaller Complexes with the Biosurfactant Rhamnolipid Than with SDS. Biophysical Journal, 113(12), 2621-2633. https://doi.org/10.1016/j.bpj.2017.10.024

Displaying results 151 to 200 out of 797

Revised 17.04.2023

Lise Refstrup Linnebjerg Pedersen

Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

Publications