Publications

The Department of Chemistry is one of the most productive departments at Aarhus University. A considerable number of articles are published every year.

Publications from the Department of Chemistry

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Zhang, C., Liang, H.-Q., Xu, Z.-K. & Wang, Z. (2019). Harnessing Solar-Driven Photothermal Effect toward the Water-Energy Nexus. Advanced Science, 6(18), Article 1900883. https://doi.org/10.1002/advs.201900883

Ruckhofer, A., Tamtoegl, A., Pusterhofer, M., Bremholm, M. & Ernst, W. E. (2019). Helium-Surface Interaction and Electronic Corrugation of Bi2Se3(111). Journal of Physical Chemistry C, 123(29), 17829-17841. https://doi.org/10.1021/acs.jpcc.9b03450

Fischer, J., Schlaghaufer, F., Lottner, E. M., Slenczka, A., Christiansen, L., Stapelfeldt, H., Karra, M., Friedrich, B., Mullan, T., Schütz, M. & Usvyat, D. (2019). Heterogeneous Clusters of Phthalocyanine and Water Prepared and Probed in Superfluid Helium Nanodroplets. The Journal of Physical Chemistry A, 123(46), 10057-10064. https://doi.org/10.1021/acs.jpca.9b07302

Madsen, R. B. & Glasius, M. (2019). How Do Hydrothermal Liquefaction Conditions and Feedstock Type Influence Product Distribution and Elemental Composition? Industrial and Engineering Chemistry Research, 58(37), 17583-17600. https://doi.org/10.1021/acs.iecr.9b02337

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 (PNAS), 116(42), 21031-21036. https://doi.org/10.1073/pnas.1911181116

Zlotea, C., Sow, M. A., Ek, G., Couzinie, J.-P., Perriere, L., Guillot, I., Bourgon, J., Moller, K. T., Jensen, T. R., Akiba, E. & Sahlberg, M. (2019). Hydrogen sorption in TiZrNbHfTa high entropy alloy. Journal of Alloys and Compounds, 775, 667-674. https://doi.org/10.1016/j.jallcom.2018.10.108

Nielsen, S., Olsen, M. H., Kongsfelt, M., Pedersen, S. U. & Daasbjerg, K. (2019). Hydrosilane-Modified Poly(2-Hydroxyethyl Methacrylate) Brush as a Nanoadhesive for Efficient Silicone Bonding. ACS Omega, 4(7), 12130-12135. https://doi.org/10.1021/acsomega.9b01282

Walther, R., Winther, A., Fruergaard, A. S., Akker, W. V. D., Sørensen, L., Nielsen, S. M., Olesen, M. T. J., Dai, Y., Jeppesen, H. S., Lamagni, P., Savateev, A., Pedersen, S. L., Frich, C. K., Vigier, C. A., Lock, N., Singh, M., Bansal, V., Meyer, R. L. & Zelikin, A. N. (2019). Identification and Directed Development of Non‐Organic Catalysts with Apparent Pan‐Enzymatic Mimicry into Nanozymes for Efficient Prodrug Conversion. Angewandte Chemie International Edition, 58(1), 278-282. https://doi.org/10.1002/anie.201812668

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

Sun, P., Gjørup, F. H., Ahlburg, J. V., Mamakhel, M. A. H., Wang, S. & Christensen, M. (2019). In Situ In-House Powder X-ray Diffraction Study of Zero-Valent Copper Formation in Supercritical Methanol. Crystal Growth & Design, 19(4), 2219-2227. https://doi.org/10.1021/acs.cgd.8b01832

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, Article 14314. https://doi.org/10.1038/s41598-019-50043-0

Mortensen, M. R., Nielsen, N. L., Palmfeldt, J. & Gothelf, K. V. (2019). Imidazole carbamate probes for affinity guided azide-transfer to metal-binding proteins. Organic and Biomolecular Chemistry, 17(6), 1379-1383. https://doi.org/10.1039/C8OB03017K

Poier, P. P. & Jensen, F. (2019). Including implicit solvation in the bond capacity polarization model. Journal of Chemical Physics, 151(11), Article 114118. https://doi.org/10.1063/1.5120873

Klös, G., Miola, M. & Sutherland, D. S. (2019). Increased Refractive Index Sensitivity by Circular Dichroism Sensing through Reduced Substrate Effect. Journal of Physical Chemistry C, 123(12), 7347-7355. https://doi.org/10.1021/acs.jpcc.8b12152

Riva, M., Chen, Y., Zhang, Y., Lei, Z., Olson, N. E., Boyer, H. C., Narayan, S., Yee, L. D., Green, H. S., Cui, T., Zhang, Z., Baumann, K., Fort, M., Edgerton, E., Budisulistiorini, S. H., Rose, C. A., Ribeiro, I. O., L e Oliveira, R., dos Santos, E. O. ... Surratt, J. D. (2019). Increasing isoprene epoxydiol-to-inorganic sulfate aerosol ratio results in extensive conversion of inorganic sulfate to organosulfur forms: implications for aerosol physicochemical properties. Environmental Science & Technology, 53(15), 8682-8694. https://doi.org/10.1021/acs.est.9b01019

Sizov, A., Reardon, H., Iversen, B. B., Erhart, P. & Palmqvist, A. E. C. (2019). Influence of Phase Separation and Spinodal Decomposition on Microstructure of Mg₂Si_{1- x}Sn_x Alloys. Crystal Growth and Design, 19(9), 4927-4933. https://doi.org/10.1021/acs.cgd.9b00013

Jørgensen, K. A. (2019). In My Element: Love Lies in Carbon. Chemistry - A European Journal, 25(5), 1117. https://doi.org/10.1002/chem.201804626

Meer, M. T., Dillion, R., Nielsen, S. M., Walther, R., Meyer, R. L., Daamen, W. F., Van Den Heuvel, L. P., Van Der Vliet, J. A., Lomme, R. M. L. M., Hoogeveen, Y. L., Schultze Kool, L. J., Schaffer, J. E. & Zelikin, A. N. (2019). Innate glycosidic activity in metallic implants for localized synthesis of antibacterial drugs. Chemical Communications, 55(4), 443-446. https://doi.org/10.1039/c8cc08737g

Zhou, Y., Jones, N. C., Pedersen, J. N., Perez, B., Hoffmann, S. V., Petersen, S. V., Pedersen, J. S., Perriman, A., Kristensen, P., Gao, R. & Guo, Z. (2019). Insight into the structure and activity of surface-engineered lipase biofluids. ChemBioChem, 20(10), 1266-1272. https://doi.org/10.1002/cbic.201800819

Thomsen, M. K., Nyvang, A., Walsh, J. P. S., Bunting, P. C., Long, J. R., Neese, F., Atanasov, M., Genoni, A. & Overgaard, J. (2019). Insights into Single-Molecule-Magnet Behavior from the Experimental Electron Density of Linear Two-Coordinate Iron Complexes. Inorganic Chemistry, 58(5), 3211-3218. https://doi.org/10.1021/acs.inorgchem.8b03301

Zhang, J., Song, L. & Iversen, B. B. (2019). Insights into the design of thermoelectric Mg3Sb2 and its analogs by combining theory and experiment. npj Computational Materials, 5(1), Article 76. https://doi.org/10.1038/s41524-019-0215-y

Boy, M., Thomson, E. S., Navarro, J. C. A., Arnalds, O., Batchvarova, E., Bäck, J., Berninger, F., Bilde, M., Brasseur, Z., Dagsson-Waldhauserova, P., Castarède, D., Dalirian, M., De Leeuw, G., Dragosics, M., Duplissy, E. M., Duplissy, J., Ekman, A. M. L., Fang, K., Gallet, J. C. ... Skov, H. (2019). Interactions between the atmosphere, cryosphere, and ecosystems at northern high latitudes. Atmospheric Chemistry and Physics, 19(3), 2015-2061. https://doi.org/10.5194/acp-19-2015-2019

Nandakumar, R., Tschismarov, R., Meissner, F., Prabakaran, T., Krissanaprasit, A., Farahani, E., Zhang, B. C., Assil, S., Martin, A., Bertrams, W., Holm, C. K., Ablasser, A., Klause, T., Thomsen, M. K., Schmeck, B., Howard, K. A., Henry, T., Gothelf, K. V., Decker, T. & Paludan, S. R. (2019). Intracellular bacteria engage a STING–TBK1–MVB12b pathway to enable paracrine cGAS–STING signalling. Nature Microbiology, 4, 701-713. https://doi.org/10.1038/s41564-019-0367-z

Thomas, S. P., Grosjean, A., Flematti, G. R., Karton, A., Sobolev, A. N., Edwards, A. J., Piltz, R. O., Iversen, B. B., Koutsantonis, G. A. & Spackman, M. A. (2019). Investigation of an Unusual Crystal Habit of Hydrochlorothiazide Reveals Large Polar Enantiopure Domains and a Possible Crystal Nucleation Mechanism. Angewandte Chemie - International Edition, 58(30), 10255-10259. https://doi.org/10.1002/anie.201905085

Kevy, S. M., Nielsen, M. B., Lundegaard, L. F., Ceresoli, D., Chen, Y. S., Reardon, H., Parisiades, P. & Bremholm, M. (2019). Investigation of the high pressure phase BiS₂: Temperature-resolved structure and compression behavior to 60 GPa. Journal of Alloys and Compounds, 789, 588-594. https://doi.org/10.1016/j.jallcom.2019.03.023

Amann, M., Diget, J. S., Lyngsø, J., Pedersen, J. S., Narayanan, T. & Lund, R. (2019). Kinetic Pathways for Polyelectrolyte Coacervate Micelle Formation Revealed by Time-Resolved Synchrotron SAXS. Macromolecules, 52(21), 8227-8237. https://doi.org/10.1021/acs.macromol.9b01072

H. Gjørup, F., Ahlburg, J. V. & Christensen, M. (2019). Laboratory setup for rapid in situ powder X-ray diffraction elucidating Ni particle formation in supercritical methanol. Review of Scientific Instruments, 90(7), 073902. Article 073902. https://doi.org/10.1063/1.5089592

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

Jansen, M. A. A., Klausen, L. H., Thanki, K., Lyngsø, J., Skov Pedersen, J., Franzyk, H., Nielsen, H. M., van Eden, W., Dong, M., Broere, F., Foged, C. & Zeng, X. (2019). Lipidoid-polymer hybrid nanoparticles loaded with TNF siRNA suppress inflammation after intra-articular administration in a murine experimental arthritis model. European Journal of Pharmaceutics and Biopharmaceutics, 142, 38-48. https://doi.org/10.1016/j.ejpb.2019.06.009

Xin, Z. & Skrydstrup, T. (2019). Liquid Marbles: A Promising and Versatile Platform for Miniaturized Chemical Reactions. Angewandte Chemie International Edition, 58(35), 11952-11954. https://doi.org/10.1002/anie.201905204

Dippel, A.-C., Roelsgaard, M., Boettger, U., Gutowski, O., Ruett, U. & Schneller, T. (2019). Local atomic structure of thin and ultrathin films via rapid high-energy X-ray total scattering at grazing incidence. IUCrJ, 6(2), 290-298. https://doi.org/10.1107/S2052252519000514

Chatterley, A. S., Schouder, C., Christiansen, L., Shepperson, B., Rasmussen, M. H. & Stapelfeldt, H. (2019). Long-lasting field-free alignment of large molecules inside helium nanodroplets. Nature Communications, 10(1), Article 133. https://doi.org/10.1038/s41467-018-07995-0

Tolborg, K., Jørgensen, M. R. V., Sist, M., Mamakhel, M. A. H., Overgaard, J. & Iversen, B. B. (2019). Low‐Barrier Hydrogen Bonds in Negative Thermal Expansion Material H₃[Co(CN)₆]. Chemistry - A European Journal, 25(27), 6814-6822. https://doi.org/10.1002/chem.201900358

Hathwar, V. R., Nakamura, A., Kasai, H., Suekuni, K., Tanaka, H. I., Takabatake, T., Iversen, B. B. & Nishibori, E. (2019). Low-Temperature Structural Phase Transitions in Thermoelectric Tetrahedrite, Cu12Sb4S13, and Tennantite, Cu12As4S13. Crystal Growth & Design, 19(7), 3979-3988. https://doi.org/10.1021/acs.cgd.9b00385

Pedersen, J. N., Jiang, Z., Christiansen, G., Lee, J. C., Pedersen, J. S. & Otzen, D. E. (2019). Lysophospholipids induce fibrillation of the repeat domain of Pmel17 through intermediate core-shell structures. Biochimica et Biophysica Acta - Proteins and Proteomics, 1867(5), 519-528. https://doi.org/10.1016/j.bbapap.2018.11.007

Schmitz, G., Godtliebsen, I. H. & Christiansen, O. (2019). Machine learning for potential energy surfaces: An extensive database and assessment of methods. The Journal of Chemical Physics, 150(24), Article 244113. https://doi.org/10.1063/1.5100141

Yartys, V. A., Lototskyy, M. V., Akiba, E., Albert, R., Antonov, V. E., Ares, J. R., Baricco, M., Bourgeois, N., Buckley, C. E., Bellosta von Colbe, J. M., Crivello, J. C., Cuevas, F., Denys, R. V., Dornheim, M., Felderhoff, M., Grant, D. M., Hauback, B. C., Humphries, T. D., Jacob, I. ... Zhu, M. (2019). Magnesium based materials for hydrogen based energy storage: Past, present and future. International Journal of Hydrogen Energy, 44(15), 7809-7859. https://doi.org/10.1016/j.ijhydene.2018.12.212

Roth, N., Ye, F., May, A. F., Chakoumakos, B. C. & Iversen, B. B. (2019). Magnetic correlations and structure in bixbyite across the spin-glass transition. Physical Review B, 100(14), Article 144404. https://doi.org/10.1103/PhysRevB.100.144404

Shi, M. W., Thomas, S. P., Hathwar, V. R., Edwards, A. J., Piltz, R. O., Jayatilaka, D., Koutsantonis, G. A., Overgaard, J., Nishibori, E., Iversen, B. B. & Spackman, M. A. (2019). Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis. Journal of the American Chemical Society, 141(9), 3965-3976. https://doi.org/10.1021/jacs.8b12927

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

Liu, C., Ma, F., Elm, J., Fu, Z., Tang, W., Chen, J. & Xie, H. B. (2019). Mechanism and predictive model development of reaction rate constants for N-center radicals with O₂. Chemosphere, 237, Article 124411. https://doi.org/10.1016/j.chemosphere.2019.124411

Huot, J., Cuevas, F., Deledda, S., Edalati, K., Filinchuk, Y., Grosdidier, T., Hauback, B. C., Heere, M., Jensen, T. R., Latroche, M. & Sartori, S. (2019). Mechanochemistry of Metal Hydrides: Recent Advances. Materials, 12(17), Article 2778. https://doi.org/10.3390/ma12172778

Gounani, Z., Asadollahi, M. A., Pedersen, J. N., Lyngsø, J., Pedersen, J. S., Arpanaei, A. & Meyer, R. L. (2019). Mesoporous silica nanoparticles carrying multiple antibiotics provide enhanced synergistic effect and improved biocompatibility. Colloids and Surfaces B: Biointerfaces, 175, 498-508. https://doi.org/10.1016/j.colsurfb.2018.12.035

Shen, J., Xie, H.-B., Elm, J., Ma, F., Chen, J. & Vehkamaki, H. (2019). Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study. Environmental Science & Technology, 53(24), 14387-14397. https://doi.org/10.1021/acs.est.9b05306

Hu, X. M. & Daasbjerg, K. (2019). Molecular catalyst converts carbon dioxide to methanol. Nature, 575(7784), 598-599. https://doi.org/10.1038/d41586-019-03563-8

Wang, K., Zhang, Y., Huang, R. J., Wang, M., Ni, H., Kampf, C. J., Cheng, Y., Bilde, M., Glasius, M. & Hoffmann, T. (2019). Molecular Characterization and Source Identification of Atmospheric Particulate Organosulfates Using Ultrahigh Resolution Mass Spectrometry. Environmental Science & Technology, 53(11), 6192-6202. https://doi.org/10.1021/acs.est.9b02628

Poghosyan, A. H., Schafer, N., Lyngsø, J., Shahinyan, A. A., Pedersen, J. S. & Otzen, D. (2019). Molecular dynamics study of ACBP denaturation in alkyl sulfates demonstrates possible pathways of unfolding through fused surfactant clusters. Protein Engineering, Design and Selection, 32(4), 175-190. Article gzz037. https://doi.org/10.1093/protein/gzz037

Poier, P. P., Lagardère, L., Piquemal, J. P. & Jensen, F. (2019). Molecular Dynamics Using Nonvariational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation, and Application to the Bond Capacity Model. Journal of Chemical Theory and Computation, 15(11), 6213-6224. https://doi.org/10.1021/acs.jctc.9b00721

Kjolbye, L. R., Laustsen, A., Vestergaard, M., Periole, X., De Maria, L., Svendsen, A., Coletta, A. & Schiott, B. (2019). Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation. Journal of Chemical Information and Modeling, 59(5), 1977-1987. https://doi.org/10.1021/acs.jcim.8b00857

Ladefoged, L. K., Zeppelin, T. & Schiøtt, B. (2019). Molecular modeling of neurological membrane proteins − from binding sites to synapses. Neuroscience Letters, 700, 38-49. https://doi.org/10.1016/j.neulet.2018.05.034

Displaying results 1601 to 1650 out of 5900

Revised 08.05.2026

Department of Chemistry