Publikationer

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Publikationer fra Institut for Kemi

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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

Voronin, K. V., Ermolaev, G. A., Stebunov, Y. V., Arsenin, A. V., Bylinkin, A. N., Jensen, B. B. E., Jørgensen, B. & Volkov, V. S. (2020). Substrate effects in graphene field-effect transistor photodetectors. Journal of Physics: Conference Series, 1461, Artikel 012188. https://doi.org/10.1088/1742-6596/1461/1/012188

Pal, S., Sommerfeldt, A., Davidsen, M. B., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2020). Synthesis and Closed-Loop Recycling of Self-Immolative Poly(dithiothreitol). Macromolecules, 53(12), 4685-4691. https://doi.org/10.1021/acs.macromol.0c00861

Menon, P. K., Krishnaraj, K. U., Anabha, E. R., Devaky, K. S. & Thomas, S. P. (2020). Synthesis, crystal structure and electron density analysis of a sulfanyl 2-pyridone analogue: Tautomeric preference and conformation locking by S···O chalcogen bonding. Journal of Molecular Structure, 1222, Artikel 128798. https://doi.org/10.1016/j.molstruc.2020.128798

Grinderslev, J. B., Amdisen, M. B. & Jensen, T. R. (2020). Synthesis, crystal structures and thermal properties of ammine barium borohydrides. Inorganics, 8(10), Artikel 57. https://doi.org/10.3390/inorganics8100057

Berdiyeva, P., Karabanova, A., Grinderslev, J. B., Johnsen, R. E., Blanchard, D., Hauback, B. C. & Deledda, S. (2020). Synthesis, structure and NH₃ sorption properties of mixed Mg_1-xMn_x(NH₃)₆Cl₂ ammines. Energies, 13(11), Artikel 2746. https://doi.org/10.3390/en13112746

Madsen, N. K., Hansen, M. B., Worth, G. A. & Christiansen, O. (2020). Systematic and variational truncation of the configuration space in the multiconfiguration time-dependent Hartree method: the MCTDH[n] hierarchy. Journal of Chemical Physics, 152(8), Artikel 084101. https://doi.org/10.1063/1.5142459

Hyttinen, N., Heshmatnezhad, R., Elm, J., Kurtén, T. & Prisle, N. L. (2020). Technical note: Estimating aqueous solubilities and activity coefficients of mono- And α,ω-dicarboxylic acids using COSMOtherm. Atmospheric Chemistry and Physics, 20(21), 13131-13143. https://doi.org/10.5194/acp-20-13131-2020

Holm, K. A. U., Roth, N., Zeuthen, C. M., Tolborg, K., Feidenhans'l, A. A. & Iversen, B. B. (2020). Temperature dependence of dynamic dipole formation in PbTe. Physical Review B, 102(2), Artikel 024112. https://doi.org/10.1103/PhysRevB.102.024112

Ruckhofer, A., Campi, D., Bremholm, M., Hofmann, P., Benedek, G., Bernasconi, M., Ernst, W. E. & Tamtögl, A. (2020). Terahertz surface modes and electron-phonon coupling on Bi₂Se₃(111). Physical Review Research , 2(2), Artikel 023186. https://doi.org/10.1103/PhysRevResearch.2.023186

Kristensen, K., N. Jensen, L., L. J. Quéléver, L., Christiansen, S., Rosati, B., Elm, J., Teiwes, R., B. Pedersen, H., Glasius, M., Ehn, M. & Bilde, M. (2020). The Aarhus Chamber Campaign on Highly Oxygenated Organic Molecules and Aerosols (ACCHA): Particle formation, organic acids, and dimer esters from α-pinene ozonolysis at different temperatures. Atmospheric Chemistry and Physics, 20(21), 12549-12567. https://doi.org/10.5194/acp-20-12549-2020

Grabowsky, S., Genoni, A., Thomas, S. P. & Jayatilaka, D. (2020). The advent of quantum crystallography: Form and structure factors from quantum mechanics for advanced structure refinement and wavefunction fitting. I 21st Century Challenges in Chemical Crystallography II (s. 65-144). Springer. https://doi.org/10.1007/430_2020_62

Ickes, L., Porter, G. C. E., Wagner, R., Adams, M. P., Bierbauer, S., Bertram, A. K., Bilde, M., Christiansen, S., Ekman, A. M. L., Gorokhova, E., Höhler, K., Kiselev, A. A., Leck, C., Möhler, O., Murray, B. J., Schiebel, T., Ullrich, R. & Salter, M. E. (2020). The ice-nucleating activity of Arctic sea surface microlayer samples and marine algal cultures. Atmospheric Chemistry and Physics, 20(18), 11089-11117. Artikel 11089. https://doi.org/10.5194/acp-20-11089-2020

Andersen, K. H., Argyriou, D. N., Jackson, A. J., Houston, J., Henry, P. F., Deen, P. P., Toft-Petersen, R., Beran, P., Strobl, M., Arnold, T., Wacklin-Knecht, H., Tsapatsaris, N., Oksanen, E., Woracek, R., Schweika, W., Mannix, D., Hiess, A., Kennedy, S., Kirstein, O. ... Schreyer, A. (2020). The instrument suite of the European Spallation Source. Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 957, Artikel 163402. https://doi.org/10.1016/j.nima.2020.163402

Yan, Y., Dononelli, W., Jørgensen, M., Grinderslev, J. B., Lee, Y. S., Cho, Y. W., Černý, R., Hammer, B. & Jensen, T. R. (2020). The mechanism of Mg²⁺ conduction in ammine magnesium borohydride promoted by a neutral molecule. Physical Chemistry Chemical Physics, 22(17), 9204-9209. https://doi.org/10.1039/d0cp00158a

Madsen, M. M., Jensen, F. & Thøgersen, J. (2020). The primary photo-dissociation dynamics of amino acids in aqueous solution: Breaking the C_α-bond. Physical Chemistry Chemical Physics, 22(4), 2307-2318. https://doi.org/10.1039/c9cp05836b

Tundo, G. R., Sbardella, D., Santoro, A. M., Coletta, A., Oddone, F., Grasso, G., Milardi, D., Lacal, P. M., Marini, S., Purrello, R., Graziani, G. & Coletta, M. (2020). The proteasome as a druggable target with multiple therapeutic potentialities: Cutting and non-cutting edges. Pharmacology and Therapeutics, 213, Artikel 107579. https://doi.org/10.1016/j.pharmthera.2020.107579

Pedersen, H. B., Elm, J., Frederiksen, C. H., Jessen, S. P. S., Teiwes, R. & Bilde, M. (2020). The reaction of isotope-substituted hydrated iodide I(H ¹⁸₂O)− with ozone: the reactive influence of the solvent water molecul. Physical Chemistry Chemical Physics, 22(34), 19080-19088. https://doi.org/10.1039/d0cp03219k

Hyttinen, N., Elm, J., Malila, J., Calderón, S. M. & Prisle, N. L. (2020). Thermodynamic properties of isoprene-and monoterpene-derived organosulfates estimated with COSMOtherm. Atmospheric Chemistry and Physics, 20(9), 5679-5696. https://doi.org/10.5194/acp-20-5679-2020

Carmona, F. J., Dal Sasso, G., Bertolotti, F., Ramírez-Rodríguez, G. B., Delgado-López, J. M., Pedersen, J. S., Masciocchi, N. & Guagliardi, A. (2020). The role of nanoparticle structure and morphology in the dissolution kinetics and nutrient release of nitrate-doped calcium phosphate nanofertilizers. Scientific Reports, 10(1), Artikel 12396. https://doi.org/10.1038/s41598-020-69279-2

Madsen, N. K. K., Hansen, M. B., Christiansen, O. & Zoccante, A. (2020). Time-dependent vibrational coupled cluster with variationally optimized time-dependent basis sets. Journal of Chemical Physics, 153(17), Artikel 174108. https://doi.org/10.1063/5.0024428

Klinting, E. L., Christiansen, O. & König, C. (2020). Toward Accurate Theoretical Vibrational Spectra: A Case Study for Maleimide. The Journal of Physical Chemistry A, 124(13), 2616-2627. https://doi.org/10.1021/acs.jpca.9b11915

Keshavarz, M., Debroye, E., Ottesen, M., Martin, C., Zhang, H., Fron, E., Küchler, R., Steele, J. A., Bremholm, M., Van de Vondel, J., Wang, H. I., Bonn, M., Roeffaers, M. B. J., Wiedmann, S. & Hofkens, J. (2020). Tuning the Structural and Optoelectronic Properties of Cs₂AgBiBr₆ Double-Perovskite Single Crystals through Alkali-Metal Substitution. Advanced Materials, 32(40), Artikel 2001878. https://doi.org/10.1002/adma.202001878

Balasubramani, S. G., Chen, G. P., Coriani, S., Diedenhofen, M., Frank, M. S., Franzke, Y. J., Furche, F., Grotjahn, R., Harding, M. E., Hättig, C., Hellweg, A., Helmich-Paris, B., Holzer, C., Huniar, U., Kaupp, M., Marefat Khah, A., Karbalaei Khani, S., Müller, T., Mack, F. ... Yu, J. M. (2020). TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics, 152(18), Artikel 184107 . https://doi.org/10.1063/5.0004635

Guo, Y., Nuermaimaiti, A., Kjeldsen, N. D., Gothelf, K. V. & Linderoth, T. R. (2020). Two-Dimensional Coordination Networks from Cyclic Dipeptides. Journal of the American Chemical Society, 142(47), 19814-19818. https://doi.org/10.1021/jacs.0c08700

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