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Department of Chemistry

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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Ateia, M., Erdem, C. U., Ersan, M. S., Ceccato, M. & Karanfil, T. (2019). Selective removal of bromide and iodide from natural waters using a novel AgCl-SPAC composite at environmentally relevant conditions. Water Research, 156, 168-178. https://doi.org/10.1016/j.watres.2019.03.028

Trads, J. B., Hüll, K., Matsuura, B. S., Laprell, L., Fehrentz, T., Görldt, N., Kozek, K. A., Weaver, C. D., Klöcker, N., Barber, D. M. & Trauner, D. (2019). Sign Inversion in Photopharmacology: Incorporation of Cyclic Azobenzenes in Photoswitchable Potassium Channel Blockers and Openers. Angewandte Chemie - International Edition, 58(43), 15421-15428. https://doi.org/10.1002/anie.201905790

Nielsen, E. R., Winther, A. K. & Simonsen, U. (2019). Simultaneous measurements of tension and free H₂S in mesenteric arteries. In Vascular Effects of Hydrogen Sulfide: Methods and Protocols (pp. 125-136). Humana Press. https://doi.org/10.1007/978-1-4939-9528-8_9

Jepsen, M. D. E., Sørensen, R. S., Maffeo, C., Aksimentiev, A., Kjems, J. & Birkedal, V. (2019). Single molecule analysis of structural fluctuations in DNA nanostructures. Nanoscale, 11(39), 18475-18482. https://doi.org/10.1039/c9nr03826d

Consiglieri, E., Xu, Q., Bregnhøj, M., Westberg, M., Ogilby, P. R. & Losi, A. (2019). Single mutation in a novel bacterial LOV protein yields a singlet oxygen generator. Photochemical & Photobiological Sciences, 18(11), 2657-2660. https://doi.org/10.1039/C9PP00328B

Huang, L. Z., Zhu, M., Liu, Z., Wang, Z. & Hansen, H. C. B. (2019). Single sheet iron oxide: An efficient heterogeneous electro-Fenton catalyst at neutral pH. Journal of Hazardous Materials, 364, 39-47. https://doi.org/10.1016/j.jhazmat.2018.10.026

Nielsen, A. B., Hansen, M. R., Andersen, J. E. & Vosegaard, T. (2019). Single-Spin Vector Analysis of Strongly Coupled Nuclei in TOCSY NMR Experiments. Journal of Chemical Physics, 151(13), Article 134117. https://doi.org/10.1063/1.5123046

Roth, N. & Iversen, B. B. (2019). Solving the disordered structure of β-Cu _{2 x} Se using the three-dimensional difference pair distribution function. Acta Crystallographica Section A: Foundations of Crystallography, 75(3), 465-473. https://doi.org/10.1107/S2053273319004820

Kjeldgaard, S., Dražević, E., Iversen, B. B. & Bentien, A. (2019). Stationære batterier til lagring af sol- og vindelektricitet - kræver nye billige materialer med lav miljøpåvirkning. Dansk Kemi, 100(1), 12-14. https://ipaper.ipapercms.dk/TechMedia/DanskKemi/2019/1/?page=12

Hansen, B. K., Loveridge, C. J., Thyssen, S., Wørmer, G. J., Nielsen, A. D., Palmfeldt, J., Johannsen, M. & Poulsen, T. B. (2019). STEFs: Activated Vinylogous Protein-Reactive Electrophiles. Angewandte Chemie - International Edition, 58(11), 3533-3537. https://doi.org/10.1002/anie.201814073

Elm, J., Hyttinen, N., Lin, J. J., Kurtén, T. & Prisle, N. L. (2019). Strong Even/Odd Pattern in the Computed Gas-Phase Stability of Dicarboxylic Acid Dimers: Implications for Condensation Thermodynamics. The Journal of Physical Chemistry A, 123(44), 9594-9599. https://doi.org/10.1021/acs.jpca.9b08020

Hvid, M. S., Jeppesen, H. S., Miola, M., Lamagni, P., Su, R., Jensen, K. M. Ø. & Lock, N. (2019). Structural changes during water-mediated amorphization of semiconducting two-dimensional thiostannates. IUCrJ, 6(5), 804-814. https://doi.org/10.1107/S2052252519006791

Vestergaard, M., Berglund, N. A., Hsu, P. C., Song, C., Koldsø, H., Schiøtt, B. & Sansom, M. S. P. (2019). Structure and Dynamics of Cinnamycin-Lipid Complexes: Mechanisms of Selectivity for Phosphatidylethanolamine Lipids. ACS Omega, 4(20), 18889-18899. https://doi.org/10.1021/acsomega.9b02949

Mørch, M. I., Ahlburg, J. V., Saura-Múzquiz, M., Eikeland, A. Z. & Christensen, M. (2019). Structure and magnetic properties of W-type hexaferrites. IUCrJ, 6(3), 492-499. https://doi.org/10.1107/S2052252519003130

Kucharczyk, S., Zajac, M., Stabler, C., Thomsen, R. M., Ben Haha, M., Skibsted, J. & Deja, J. (2019). Structure and reactivity of synthetic CaO-Al₂ O₃ -SiO₂ glasses. Cement and Concrete Research, 120, 77-91. https://doi.org/10.1016/j.cemconres.2019.03.004

Schouder, C., Chatterley, A. S., Calvo, F., Christiansen, L. & Stapelfeldt, H. (2019). Structure determination of the tetracene dimer in helium nanodroplets using femtosecond strong-field ionization. Structural Dynamics, 6(4), 1-12. Article 044301. https://doi.org/10.1063/1.5118005

Zeppelin, T., Ladefoged, L. K., Sinning, S. & Schiøtt, B. (2019). Substrate and inhibitor binding to the serotonin transporter: Insights from computational, crystallographic, and functional studies. Neuropharmacology, 161, Article 107548. https://doi.org/10.1016/j.neuropharm.2019.02.030

Shi, Z., Ferreiro, S., Lothenbach, B., Geiker, M. R., Kunther, W., Kaufmann, J., Herfort, D. & Skibsted, J. (2019). Sulfate resistance of calcined clay – Limestone – Portland cements. Cement and Concrete Research, 116, 238-251. https://doi.org/10.1016/j.cemconres.2018.11.003

Hu, X. M., Pedersen, S. U. & Daasbjerg, K. (2019). Supported molecular catalysts for the heterogeneous CO₂ electroreduction. Current Opinion in Electrochemistry, 15, 148-154. https://doi.org/10.1016/j.coelec.2019.05.006

Underlin, E. N. & Jensen, H. H. (2019). Synthesis of nortropane alkaloid calystegine B₂ from methyl α-D-xylopyranoside. Carbohydrate Research, 472, 122-126. https://doi.org/10.1016/j.carres.2018.12.002

Molino, A., Holzinger, J., Lukaszuk, K. A., Rojo-Gama, D., Gunnaes, A. E., Skibsted, J., Lundegaard, L. F., Svelle, S., Beato, P., Bordiga, S. & Lillerud, K. P. (2019). Synthesis of ZSM-23 (MTT) zeolites with different crystal morphology and intergrowths: effects on the catalytic performance in the conversion of methanol to hydrocarbons. Catalysis Science & Technology, 9(23), 6782-6792. https://doi.org/10.1039/c9cy01068h

Xu, H., Sommer, S., Broge, N. L. N., Gao, J. & Iversen, B. B. (2019). The Chemistry of Nucleation: In Situ Pair Distribution Function Analysis of Secondary Building Units During UiO-66 MOF Formation. Chemistry - A European Journal, 25(8), 2051-2058. https://doi.org/10.1002/chem.201805024

Liu, X.-R., Chen, X.-M., Zhang, J., Jensen, T. R. & Chen, X. (2019). The interconversion between THF•B₃H₇ and B₃H₈-: an efficient synthetic method for MB₃H₈ (M = Li and Na). Dalton Transactions, 48(16), 5140-5143. https://doi.org/10.1039/c9dt00843h

Palle, J., Wittig, N. K., Østergaard, M., Jensen, A. B. & Birkedal, H. (2019). The osteocyte lacuno-canalicular network in bone investigated by synchrotron radiation-based techniques. In B. Müller & G. Wang (Eds.), Developments in X-Ray Tomography XII (Vol. 11113). Article 1111316 SPIE. Digital Library. https://doi.org/10.1117/12.2531980

Madsen, M. M., Jensen, F., Jensen, S. K. & Thøgersen, J. (2019). The primary photo-dissociation dynamics of carboxylate anions in aqueous solution: decarboxylation. Physical Chemistry Chemical Physics, 21(14), 7358-7366. https://doi.org/10.1039/c8cp07621a

Teiwes, R., Elm, J., Bilde, M. & Pedersen, H. B. (2019). The reaction of hydrated iodide I(H₂O)^- with ozone: a new route to IO2− products. Physical Chemistry Chemical Physics, 21(32), 17546-17554. https://doi.org/10.1039/C9CP01734H

Song, L., Zhang, J. & Iversen, B. B. (2019). Thermal stability of p-type Ag-doped Mg ₃ Sb ₂ thermoelectric materials investigated by powder X-ray diffraction. Physical Chemistry Chemical Physics, 21(8), 4295-4305. https://doi.org/10.1039/c8cp07648k

Roldin, P., Ehn, M., Kurtén, T., Olenius, T., Rissanen, M. P., Sarnela, N., Elm, J., Rantala, P., Hao, L., Hyttinen, N., Heikkinen, L., Worsnop, D. R., Pichelstorfer, L., Xavier, C., Clusius, P., Öström, E., Petäjä, T., Kulmala, M., Vehkamäki, H. ... Boy, M. (2019). The role of highly oxygenated organic molecules in the Boreal aerosol-cloud-climate system. Nature Communications, 10(1), Article 4370. https://doi.org/10.1038/s41467-019-12338-8

Mangayayam, M., Dideriksen, K., Ceccato, M. & Tobler, D. J. (2019). The Structure of Sulfidized Zero-Valent Iron by One-Pot Synthesis: Impact on Contaminant Selectivity and Long-Term Performance. Environmental Science & Technology, 53(8), 4389-4396. https://doi.org/10.1021/acs.est.8b06480

Yu, J., Sondergaard-Pedersen, F., Mamakhel, A., Lamagni, P. & Iversen, B. B. (2019). Three-dimensional morphology of anatase nanocrystals obtained from supercritical flow synthesis with industrial grade TiOSO₄ precursor. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 75, 1086-1095. https://doi.org/10.1107/S2052520619012733

Hansen, M. B., Madsen, N. K., Zoccante, A. & Christiansen, O. (2019). Time-dependent vibrational coupled cluster theory: Theory and implementation at the two-mode coupling level. The Journal of Chemical Physics, 151(15), Article 154116. https://doi.org/10.1063/1.5117207

Roelsgaard, M., Dippel, A.-C., Borup, K., Nielsen, I. G., Broge, N. L. N., Röh, J. T., Gutowski, O. & Iversen, B. B. (2019). Time-resolved grazing-incidence pair distribution functions during deposition by radio-frequency magnetron sputtering. IUCrJ, 6(2), 299-304. https://doi.org/10.1107/S2052252519001192

Nguyen, T. J. D., Manuguerra, I., Kumar, V. & Gothelf, K. V. (2019). Toehold-Mediated Strand Displacement in a Triplex Forming Nucleic Acid Clamp for Reversible Regulation of Polymerase Activity and Protein Expression. Chemistry - A European Journal, 25(53), 12303-12307. https://doi.org/10.1002/chem.201903496

Dnestryan, A. I., Tolstikhin, O. I., Jensen, F. & Madsen, L. B. (2019). Torsional effects in strong-field ionization of molecules. Physical Review Research , 1(2), Article 023018. https://doi.org/10.1103/PhysRevResearch.1.023018

Keshavarz, M., Ottesen, M., Wiedmann, S., Wharmby, M., Küchler, R., Yuan, H., Debroye, E., Steele, J. A., Martens, J., Hussey, N. E., Bremholm, M., Roeffaers, M. B. J. & Hofkens, J. (2019). Tracking Structural Phase Transitions in Lead-Halide Perovskites by Means of Thermal Expansion. Advanced Materials, 31(24), 1900521-1 til 1900521-8. Article 1900521. https://doi.org/10.1002/adma.201900521

Fischer, K. F. F., Roth, N. & Iversen, B. B. (2019). Transport properties and crystal structure of layered LaSb₂. Journal of Applied Physics, 125(4), 045110-1 - 045110-7. Article 045110. https://doi.org/10.1063/1.5081819

Grinderslev, J. B., Møller, K. T., Bremholm, M. & Jensen, T. R. (2019). Trends in Synthesis, Crystal Structure, and Thermal and Magnetic Properties of Rare-Earth Metal Borohydrides. Inorganic Chemistry, 58(9), 5503-5517. https://doi.org/10.1021/acs.inorgchem.8b03258

Xu, F., Yu, C., Tries, A., Zhang, H., Klaeui, M., Basse, K., Hansen, M. R., Bilbao, N., Bonn, M., Wang, H. I. & Mai, Y. (2019). Tunable Superstructures of Dendronized Graphene Nanoribbons in Liquid Phase. Journal of the American Chemical Society, 141(28), 10972-10977. https://doi.org/10.1021/jacs.9b04927

Bregnhøj, M., Strunge, K., Sørensen, R. J., Ströbele, M., Hummel, T., Meyer, H. J., Jensen, F. & Ogilby, P. R. (2019). Tungsten Iodide Clusters as Singlet Oxygen Photosensitizers: Exploring the Domain of Resonant Energy Transfer at 1 eV. The Journal of Physical Chemistry A, 123(9), 1730-1739. https://doi.org/10.1021/acs.jpca.9b00541

Madsen, M. R., Koefoed, L., Jensen, H., Daasbjerg, K. & Pedersen, S. U. (2019). Two-phase bipolar electrografting. Electrochimica Acta, 317, 61-69. https://doi.org/10.1016/j.electacta.2019.04.186

Bregnhøj, M. & Ogilby, P. R. (2019). Two-Photon Excitation of Neat Aerated Solvents with Visible Light Produces Singlet Oxygen. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 123(35), 7567-7575. https://doi.org/10.1021/acs.jpca.9b05517

Blom, J., Reyes Rodriguez, G. J., Tobiesen, H. N., Lamhauge, J. N., Iversen, M. V., Barløse, C. L., Hammer, N., Rusbjerg, M. & Jørgensen, K. A. (2019). Umpolung Strategy for α-Functionalization of Aldehydes for the Addition of Thiols and other Nucleophiles. Angewandte Chemie - International Edition, 58(49), 17856-17862. https://doi.org/10.1002/anie.201911793

Elm, J. (2019). Unexpected Growth Coordinate in Large Clusters Consisting of Sulfuric Acid and C ₈ H ₁₂ O ₆ Tricarboxylic Acid. The Journal of Physical Chemistry A, 123(14), 3170-3175. https://doi.org/10.1021/acs.jpca.9b00428

Shrivastava, M., Andreae, M. O., Artaxo, P., Barbosa, H. M. J., Berg, L. K., Brito, J., Ching, J., Easter, R. C., Fan, J., Fast, J. D., Feng, Z., Fuentes, J. D., Glasius, M., Goldstein, A. H., Alves, E. G., Gomes, H., Gu, D., Guenther, A., Jathar, S. H. ... Zhao, C. (2019). Urban pollution greatly enhances formation of natural aerosols over the Amazon rainforest. Nature Communications, 10(1), Article 1046. https://doi.org/10.1038/s41467-019-08909-4

Bregnhøj, M., Dichmann, L., McLoughlin, C. K., Westberg, M. & Ogilby, P. R. (2019). Uric Acid: A Less-than-Perfect Probe for Singlet Oxygen. Photochemistry and Photobiology, 95(1), 202-210. https://doi.org/10.1111/php.12971

Madsen, D., Christiansen, O., Norman, P. & Koenig, C. (2019). Vibrationally resolved emission spectra of luminescent conjugated oligothiophenes from anharmonic calculations. Physical Chemistry Chemical Physics, 21(31), 17410-17422. https://doi.org/10.1039/c9cp03039e

Bak, E. N., Larsen, M. G., Jensen, S. K., Nornberg, P., Moeller, R. & Finster, K. (2019). Wind-Driven Saltation: An Overlooked Challenge for Life on Mars. Astrobiology, 19(4), 497-505. https://doi.org/10.1089/ast.2018.1856

Yu, W., Hjerrild, P., Jacobsen, K. M., Tobiesen, H. N., Clemmensen, L. & Poulsen, T. B. (2018). A Catalytic Oxidative Quinone Heterofunctionalization Method: Synthesis of Strongylophorine-26. Angewandte Chemie - International Edition, 57(31), 9805-9809. https://doi.org/10.1002/anie.201805580

Sørensen, K. H., Jørgensen, M. S., Fusté, A. B. & Hammer, B. (2018). Accelerating atomic structure search with cluster regularization. Journal of Chemical Physics, 148(24), 241734. Article 241734. https://doi.org/10.1063/1.5023671

Kumar, C., Fliegl, H., Jensen, F., Teale, A. M., Reine, S. & Kjærgaard, T. (2018). Accelerating Kohn-Sham response theory using density fitting and the auxiliary-density-matrix method. International Journal of Quantum Chemistry, 118(16), Article e25639. https://doi.org/10.1002/qua.25639

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Department of Chemistry