Publikationer

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Publikationer fra Institut for Kemi

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Ehlers, B., Berg, M. P., Staudt, M., Holmstrup, M., Glasius, M., Ellers, J., Tomiolo, S., Madsen, R. B., Slotsbo, S. & Peñuelas, J. (2020). Plant Secondary Compounds in Soil and Their Role in Belowground Species Interactions. Trends in Ecology & Evolution, 35(8), 716-730. https://doi.org/10.1016/j.tree.2020.04.001

Poier, P. P. & Jensen, F. (2020). Polarizable charges in a generalized Born reaction potential. The Journal of Chemical Physics, 153(2), Artikel 024111. https://doi.org/10.1063/5.0012022

Reinholdt, P., Jørgensen, F. K., Kongsted, J. & Olsen, J. M. H. (2020). Polarizable Density Embedding for Large Biomolecular Systems. Journal of Chemical Theory and Computation, 16(10), 5999-6006. https://doi.org/10.26434/chemrxiv.12067917, https://doi.org/10.1021/acs.jctc.0c00763

Buhl, K. B., Agergaard, A. H., Lillethorup, M., Nikolajsen, J. P., Pedersen, S. U. & Daasbjerg, K. (2020). Polymer brush coating and adhesion technology at scale. Polymers, 12(7), Artikel 1475. https://doi.org/10.3390/polym12071475

Brodszkij, E., Westensee, I. N., Bertelsen, M., Gal, N., Boesen, T. & Städler, B. (2020). Polymer–Lipid Hybrid Vesicles and Their Interaction with HepG2 Cells. Small, 16(27), Artikel 1906493. https://doi.org/10.1002/smll.201906493

Geprags, S., Skovdal, B. E., Scheufele, M., Opel, M., Wermeille, D., Thompson, P., Bombardi, A., Simonet, V., Grenier, S., Lejay, P., Chahine, G. A., Quintero-Castro, D. L., Gross, R. & Mannix, D. (2020). Precise control of Jeff= 12 magnetic properties in Sr2IrO4 epitaxial thin films by variation of strain and thin film thickness. Physical Review B, 102(21), Artikel 214402. https://doi.org/10.1103/PhysRevB.102.214402

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), Artikel 084102. https://doi.org/10.1063/1.5135379

Zhang, J., Song, L. & Iversen, B. B. (2020). Probing Efficient N‐Type Lanthanide Dopants for Mg₃Sb₂ Thermoelectrics. Advanced Science, 7(24), Artikel 2002867. https://doi.org/10.1002/advs.202002867

Christmann, J., Mansouri, A., Grinderslev, J. B., Jensen, T. R. & Hagemann, H. (2020). Probing the local symmetry of Tb³⁺ in borohydrides using luminescence spectroscopy. Journal of Luminescence, 221, Artikel 117065. https://doi.org/10.1016/j.jlumin.2020.117065

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

Damgaard-Møller, E., Krause, L., Tolborg, K., Macetti, G., Genoni, A. & Overgaard, J. (2020). Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density. Angewandte Chemie International Edition, 59(47), 21203-21209. https://doi.org/10.1002/anie.202007856

Nielsen, J. T. & Mulder, F. A. A. (2020). Quantitative Protein Disorder Assessment Using NMR Chemical Shifts. I B. B. Kragelund & K. Skriver (red.), Intrinsically Disordered Proteins (s. 303-317). Humana Press. https://doi.org/10.1007/978-1-0716-0524-0_15

Zhang, J., Song, L. & Iversen, B. B. (2020). Rapid One‐Step Synthesis and Compaction of High‐Performance n‐Type Mg3Sb2 Thermoelectrics. Angewandte Chemie International Edition, 59(11), 4278-4282. https://doi.org/10.1002/anie.201912909

Viegas, L. S. P. & Jensen, F. (2020). Reactivity of α,ω-Dihydrofluoropolyethers toward OH Predicted by Multiconformer Transition State Theory and the Interacting Quantum Atoms Approach. The journal of physical chemistry. A, 124(17), 3460-3470. https://doi.org/10.1021/acs.jpca.0c02911

Fogang, L. T., Solling, T. I., Pedersen, J. S., Kamal, M. S. & Sultan, A. S. (2020). Real-time monitoring of oil-induced micellar transitions in viscoelastic surfactants by small-angle X-ray scattering. Journal of Colloid and Interface Science, 580, 399-406. https://doi.org/10.1016/j.jcis.2020.07.042

Rosati, B., Paul, A., Iversen, E. M., Massling, A. & Bilde, M. (2020). Reconciling atmospheric water uptake by hydrate forming salts. Environmental Science: Processes and Impacts, 22(8), 1759-1767. Artikel 1759. https://doi.org/10.1039/d0em00179a

Ramírez-Rodríguez, G. B., Miguel-Rojas, C., Montanha, G. S., Carmona, F. J., Dal Sasso, G., Sillero, J. C., Pedersen, J. S., Masciocchi, N., Guagliardi, A., Pérez-De-luque, A. & Delgado-López, J. M. (2020). Reducing nitrogen dosage in triticum durum plants with urea-doped nanofertilizers. Nanomaterials, 10(6), Artikel 1043. https://doi.org/10.3390/nano10061043

Venkateshwarlu, S., Nayak, S., Marlton, F. P., Weyland, F., Novak, N., Maurya, D., Veerabhadraiah, Y., Borkiewicz, O., Beyer, K. A., Jorgensen, M. R. V. & Pramanick, A. (2020). Relaxor behavior and electrothermal properties of Sn- and Nb-modified (Ba,Ca)TiO₃ Pb-free ferroelectric. Journal of Materials Research, 35(8), 1017-1027. https://doi.org/10.1557/jmr.2020.25

Pedersen, S. L., Huynh, T. H., Pöschko, P., Fruergaard, A. S., Jarlstad Olesen, M. T., Chen, Y., Birkedal, H., Subbiahdoss, G., Reimhult, E., Thøgersen, J. & Zelikin, A. N. (2020). Remotely Triggered Liquefaction of Hydrogel Materials. ACS Nano, 14(7), 9145-9155. https://doi.org/10.1021/acsnano.0c04522

Ismael, A., Gevorgyan, A., Skrydstrup, T. & Bayer, A. (2020). Renewable solvents for palladium-catalyzed carbonylation reactions. Organic Process Research and Development, 24(11), 2665-2675. https://doi.org/10.1021/acs.oprd.0c00325

Evans, P. G., Marks, S. D., Geprägs, S., Dietlein, M., Joly, Y., Dai, M., Hu, J., Bouchenoire, L., Thompson, P. B. J., Schülli, T. U., Richard, M. I., Gross, R., Carbone, D. & Mannix, D. (2020). Resonant nanodiffraction x-ray imaging reveals role of magnetic domains in complex oxide spin caloritronics. Science Advances, 6(40), Artikel eaba9351. https://doi.org/10.1126/sciadv.aba9351

Lamagni, P., Miola, M., Catalano, J., Hvid, M. S., Mamakhel, M. A. H., Christensen, M., Madsen, M. R., Jeppesen, H. S., Hu, X. M., Daasbjerg, K., Skrydstrup, T. & Lock, N. (2020). Restructuring Metal–Organic Frameworks to Nanoscale Bismuth Electrocatalysts for Highly Active and Selective CO₂ Reduction to Formate. Advanced Functional Materials, 30(16), Artikel 1910408. https://doi.org/10.1002/adfm.201910408

Britz, D., Strutwolf, J. & Østerby, O. (2020). Revisiting rectangular electrodes; a simulation study. Electrochimica Acta, 338, Artikel 135728. https://doi.org/10.1016/j.electacta.2020.135728

Yu, J., Yang, Y., Jia, R., Daasbjerg, K., Wang, J., Carraro, M., Xin, Z., Huang, Y. & Skrydstrup, T. (2020). Robust tuning metal/carbon heterointerfaces via ketonic oxygen enables hydrogen evolution reaction outperforming Pt/C. Applied Surface Science, 529, Artikel 147080. https://doi.org/10.1016/j.apsusc.2020.147080

Schmüser, L., Zhang, W., Marx, M. T., Encinas, N., Vollmer, D., Gorb, S., Baio, J. E., Räder, H. J. & Weidner, T. (2020). Role of Surface Chemistry in the Superhydrophobicity of the Springtail Orchesella cincta (Insecta:Collembola). ACS applied materials & interfaces, 12(10), 12294-12304. https://doi.org/10.1021/acsami.9b21615

Chatterley, A. S., Christiansen, L., Schouder, C. A., Jørgensen, A. V., Shepperson, B., Cherepanov, I. N., Bighin, G., Zillich, R. E., Lemeshko, M. & Stapelfeldt, H. (2020). Rotational Coherence Spectroscopy of Molecules in Helium Nanodroplets: Reconciling the Time and the Frequency Domains. Physical Review Letters, 125(1), Artikel 013001. https://doi.org/10.1103/PhysRevLett.125.013001

Olagnier, D., Farahani, E., Thyrsted, J., Blay-Cadanet, J., Herengt, A., Idorn, M., Hait, A., Hernaez, B., Knudsen, A., Iversen, M. B., Schilling, M., Jørgensen, S. E., Thomsen, M., Reinert, L. S., Lappe, M., Hoang, H.-D., Gilchrist, V. H., Hansen, A. L., Ottosen, R. ... Holm, C. K. (2020). SARS-CoV2-mediated suppression of NRF2-signaling reveals potent antiviral and anti-inflammatory activity of 4-octyl-itaconate and dimethyl fumarate. Nature Communications, 11(1), Artikel 4938. https://doi.org/10.1038/s41467-020-18764-3

dos Passos, J. S., Glasius, M. & Biller, P. (2020). Screening of common synthetic polymers for depolymerization by subcritical hydrothermal liquefaction. Process Safety and Environmental Protection, 139, 371-379. https://doi.org/10.1016/j.psep.2020.04.040

Yu, J., Godiksen, A. L., Mamakhel, M. A. H., Søndergaard-Pedersen, F. M., Rios-Carvajal, T., Marks, M., Lock, N., Rasmussen, S. B. & Iversen, B. B. (2020). Selective Catalytic Reduction of NO Using Phase-Pure Anatase, Rutile, and Brookite TiO2 Nanocrystals. Inorganic Chemistry, 59(20), 15324-15334. https://doi.org/10.1021/acs.inorgchem.0c02304

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

Li, X., Xu, J., Li, Y., Kramer, S., Skrydstrup, T. & Lian, Z. (2020). Silylcarboxylic Acids as Bifunctional Reagents: Application in Palladium-Catalyzed External-CO-Free Carbonylative Cross-Coupling Reactions. Advanced Synthesis and Catalysis, 362(19), 4078-4083. https://doi.org/10.1002/adsc.202000586

Oliva, F., Flores-Canales, J. C., Pieraccini, S., Morelli, C. F., Sironi, M. & Schiøtt, B. (2020). Simulating Multiple Substrate-Binding Events by γ-Glutamyltransferase Using Accelerated Molecular Dynamics. Journal of Physical Chemistry B, 124(45), 10104-10116. https://doi.org/10.1021/acs.jpcb.0c06907

Eikeland, E. Z., Borup, M., Thomsen, M. K., Roelsgaard, M., Overgaard, J., Spackman, M. A. & Iversen, B. B. (2020). Single-Crystal High-Pressure X-ray Diffraction Study of Host Structure Compression in Clathrates of Dianin's Compound. Crystal Growth & Design, 20(6), 4092-4099. https://doi.org/10.1021/acs.cgd.0c00360

Huang, L. Z., Wei, X., Gao, E., Zhang, C., Hu, X. M., Chen, Y., Liu, Z., Finck, N., Lützenkirchen, J. & Dionysiou, D. D. (2020). Single Fe atoms confined in two-dimensional MoS₂ for sulfite activation: A biomimetic approach towards efficient radical generation. Applied Catalysis B: Environment and Energy, 268, Artikel 118459. https://doi.org/10.1016/j.apcatb.2019.118459

Smith, A. A. A., Maikawa, C. L., Roth, G. A., Appel, E. A. & Appel, E. A. (2020). Site-selective modification of proteins using cucurbit[7]uril as supramolecular protection for: N -terminal aromatic amino acids. Organic and Biomolecular Chemistry, 18(23), 4371-4375. https://doi.org/10.1039/d0ob01004a

Giglio, L. P., Picheth, G. F., Løvschall, K. B., Zelikin, A. N. & de Oliveira, M. G. (2020). S-nitrosothiol-terminated poly(vinyl alcohol): Nitric oxide release and skin blood flow response. Nitric Oxide: Biology and Chemistry, 98, 41-49. https://doi.org/10.1016/j.niox.2020.03.002

Maikawa, C. L., Smith, A. A. A., Zou, L., Meis, C. M., Mann, J. L., Webber, M. J. & Appel, E. A. (2020). Stable Monomeric Insulin Formulations Enabled by Supramolecular PEGylation of Insulin Analogues. Advanced Therapeutics, 3(1), Artikel 1900094. https://doi.org/10.1002/adtp.201900094

Tobiesen, H. N., Leth, L. A., Iversen, M. V., Naesborg, L., Bertelsen, S. & Jørgensen, K. A. (2020). Stereoselective Oxidative Bioconjugation of Amino Acids and Oligopeptides to Aldehydes. Angewandte Chemie - International Edition, 59(42), 18490-18494. https://doi.org/10.1002/anie.202008513

Agergaard, A. H., Pedersen, S. U., Birkedal, H. & Daasbjerg, K. (2020). Stimuli-responsive degrafting of polymer brushes via addressable catecholato-metal attachments. Polymer Chemistry, 11(35), 5572-5577. https://doi.org/10.1039/D0PY00916D

Domino, K., Johansen, M. B., Daasbjerg, K. & Skrydstrup, T. (2020). Stoichiometric Studies on the Carbonylative Trifluoromethylation of Aryl Pd(II) Complexes using TMSCF₃ as the Trifluoromethyl Source. Organometallics, 39(5), 688-697. https://doi.org/10.1021/acs.organomet.9b00849

Sbardella, D., Coletta, A., Tundo, G. R., Ahmed, I. M. M., Bellia, F., Oddone, F., Manni, G. & Coletta, M. (2020). Structural and functional evidence for citicoline binding and modulation of 20S proteasome activity: Novel insights into its pro-proteostatic effect. Biochemical Pharmacology, 177, Artikel 113977. https://doi.org/10.1016/j.bcp.2020.113977

Grinderslev, J. B., Jepsen, L. H., Lee, Y. S., Møller, K. T., Cho, Y. W., Černý, R. & Jensen, T. R. (2020). Structural Diversity and Trends in Properties of an Array of Hydrogen-Rich Ammonium Metal Borohydrides. Inorganic Chemistry, 59(17), 12733-12747. https://doi.org/10.1021/acs.inorgchem.0c01797

Shen, J., Elm, J., Xie, H. B., Chen, J., Niu, J. & Vehkamäki, H. (2020). Structural Effects of Amines in Enhancing Methanesulfonic Acid-Driven New Particle Formation. Environmental Science & Technology, 54(21), 13498-13508. https://doi.org/10.1021/acs.est.0c05358

Bengtsen, T., Holm, V. L., Kjølbye, L. R., Midtgaard, S. R., Johansen, N. T., Tesei, G., Bottaro, S., Schiøtt, B., Arleth, L. & Lindorff-Larsen, K. (2020). Structure and dynamics of a nanodisc by integrating NMR, SAXS and SANS experiments with molecular dynamics simulations. eLife, 9, 1-24. Artikel e56518. https://doi.org/10.7554/eLife.56518

Hosseinpour, S., Roeters, S. J., Bonn, M., Peukert, W., Woutersen, S. & Weidner, T. (2020). Structure and Dynamics of Interfacial Peptides and Proteins from Vibrational Sum-Frequency Generation Spectroscopy. Chemical Reviews, 120(7), 3420-3465. https://doi.org/10.1021/acs.chemrev.9b00410

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

Triki, H., Nagy, B., Overgaard, J., Jensen, F. & Kamoun, S. (2020). Structure, DFT based investigations on vibrational and nonlinear optical behavior of a new guanidinium cobalt thiocyanate complex. Structural Chemistry, 31(1), 103-114. https://doi.org/10.1007/s11224-019-01380-3

Pedersen, J. N., Frislev, H. K. S., Pedersen, J. S. & Otzen, D. (2020). Structures and mechanisms of formation of liprotides. Biochimica et Biophysica Acta - Proteins and Proteomics, 1868(11), Artikel 140505. https://doi.org/10.1016/j.bbapap.2020.140505

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