Institut for Kemi

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Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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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, Artikel 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), Artikel 114118. https://doi.org/10.1063/1.5120873
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 Mg2Si1- xSnx 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
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), Artikel 76. https://doi.org/10.1038/s41524-019-0215-y
Brodszkij, E., Hviid, M. J., Ade, C., Schattling, P. S., Burmeister, M., Szilagyi, S., Gal, N., Zhu, C., Han, X. & Städler, B. (2019). Interaction of pH-responsive polyanions with phospholipid membranes. Polymer Chemistry, 10(44), 5992-5997. https://doi.org/10.1039/c9py00924h
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
Lutz, H., Jaeger, V., Weidner, T. & de Groot, B. L. (2019). Interpretation of Interfacial Protein Spectra with Enhanced Molecular Simulation Ensembles. Journal of Chemical Theory and Computation, 15(1), 698-707. https://doi.org/10.1021/acs.jctc.8b00840
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
Rahman Setayesh, S., Nazari, P. & Askari, N. (2019). Kinetics investigation of environmental pollutants degradation using Fenton process in the presence of iron oxide nanoparticles. Journal of applied chemistry (In Persian), 14(52), 183-198. https://doi.org/10.22075/CHEM.2019.14752.1434
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. Artikel 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
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), Artikel 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), Artikel 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), Artikel 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
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, Artikel 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), Artikel 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. Artikel 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
Karamatskos, E. T., Raabe, S., Mullins, T., Trabattoni, A., Stammer, P., Goldsztejn, G., Johansen, R. R., Długołecki, K., Stapelfeldt, H., Vrakking, M. J. J., Trippel, S., Rouzée, A. & Küpper, J. (2019). Molecular movie of ultrafast coherent rotational dynamics of OCS. Nature Communications, 10(1), Artikel 3364. https://doi.org/10.1038/s41467-019-11122-y
Møller, K. T., Paskevicius, M., Andreasen, J. G., Lee, J., Chen-Tan, N., Overgaard, J., Payandeh, S. H., Silvester, D. S., Buckley, C. E. & Jensen, T. R. (2019). Molten metal closo-borate solvates. Chemical Communications, 55(23), 3410-3413. https://doi.org/10.1039/c9cc00187e
Lertanantawong, B., Krissanaprasit, A., Chaibun, T., Gothelf, K. V. & Surareungchai, W. (2019). Multiplexed DNA detection with DNA tweezers in a one-pot reaction. Materials Science for Energy Technologies, 2(3), 503-508. https://doi.org/10.1016/j.mset.2019.05.001
Svane, B., Tolborg, K., Jørgensen, L. R., Roelsgaard, M., Jørgensen, M. R. V. & Iversen, B. B. (2019). Multipole electron densities and atomic displacement parameters in urea from accurate powder X-ray diffraction. Acta Crystallographica Section A: Foundations and Advances, 75, 600-609. https://doi.org/10.1107/S205327331900799X
Garg, N., Özçelik, V. O., Skibsted, J. & White, C. E. (2019). Nanoscale Ordering and Depolymerization of Calcium Silicate Hydrates in the Presence of Alkalis. Journal of Physical Chemistry C, 123(40), 24873-24883. https://doi.org/10.1021/acs.jpcc.9b06412
Baio, J. E., Jaye, C., Sullivan, E., Rasmussen, M. H., Fischer, D. A., Gorb, S. & Weidner, T. (2019). NEXAFS imaging to characterize the physio-chemical composition of cuticle from African Flower Scarab Eudicella gralli. Nature Communications, 10(1), 1-8. Artikel 4758. https://doi.org/10.1038/s41467-019-12616-5
Frich, C. K., Krüger, F., Walther, R., Domar, C., Andersen, A. H. F., Tvilum, A., Dagnæs-Hansen, F., Denton, P. W., Tolstrup, M., Paludan, S. R., Münch, JJ. & Zelikin, A. N. (2019). Non-covalent hitchhiking on endogenous carriers as a protraction mechanism for antiviral macromolecular prodrugs. Journal of Controlled Release, 294, 298-310. https://doi.org/10.1016/j.jconrel.2018.12.016
Wittig, N. K., Birkbak, M., Bach-Gansmo, F. L., Pacureanu, A., Okkels, M. W., Brüel, A., Thomsen, J. S. & Birkedal, H. (2019). No Signature of Osteocytic Osteolysis in Cortical Bone from Lactating NMRI Mice. Calcified Tissue International, 105(3), 308-315. https://doi.org/10.1007/s00223-019-00569-2
Krüger, F., Kumar, V., Monge, P., Conzelmann, C., Smith, N., Gothelf, K. V., Tolstrup, M., Münch, J. & Zelikin, A. N. (2019). Nucleic Acids as a Nature-Inspired Scaffold for Macromolecular Prodrugs of Nucleoside Analogues. Advanced Science, 6(6), Artikel 1802095. https://doi.org/10.1002/advs.201802095
Warner, T. E., Bancells, M. M., Lund, P. B., Lund, F. W. & Ravnsbæk, D. B. (2019). On the thermal stability of manganese(II) sulfate and its reaction with zeolite A to form the sodalite Na6Mn2[Al6Si6O24](SO4)2. Journal of Solid State Chemistry, 277, 434-440. https://doi.org/10.1016/j.jssc.2019.06.038
Nielsen, S. D., Paegle, I., Borisov, S. M., Kjeldsen, K. U., Røy, H., Skibsted, J. & Koren, K. (2019). Optical sensing of ph and o2 in the evaluation of bioactive self-healing cement. ACS Omega, 4(23), 20237-20243. https://doi.org/10.1021/acsomega.9b02541

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Institut for Kemi