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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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Bertolotti, F., Moscheni, D., Guagliardi, A. & Masciocchi, N. (2018). When Crystals Go Nano – The Role of Advanced X-ray Total Scattering Methods in Nanotechnology. European Journal of Inorganic Chemistry, 2018(34), 3789-3803. https://doi.org/10.1002/ejic.201800534

Kasai, H., Tolborg, K., Sist, M., Zhang, J., Hathwar, V. R., Filsø, M., Cenedese, S., Sugimoto, K., Overgaard, J., Nishibori, E. & Iversen, B. B. (2018). X-ray electron density investigation of chemical bonding in van der Waals materials. Nature Materials, 17(3), 249-252. https://doi.org/10.1038/s41563-017-0012-2

Stifler, C. A., Wittig, N. K., Sassi, M., Sun, C. Y., Marcus, M. A., Birkedal, H., Beniash, E., Rosso, K. M. & Gilbert, P. U. P. A. (2018). X-ray Linear Dichroism in Apatite. Journal of the American Chemical Society, 140(37), 11698-11704. https://doi.org/10.1021/jacs.8b05547

Sahin, C., Kjær, L., Christensen, M. S., Nedergaard Pedersen, J., Christiansen, G., Pérez, A.-M. W., Moller, I. M., Enghild, J., Pedersen, J. S., Larsen, K. & Otzen, D. E. (2018). α-synucleins from animal species show low fibrillation propensities and weak oligomer membrane disruption. Biochemistry, 57(34), 5145-5158. https://doi.org/10.1021/acs.biochem.8b00627

Wittig, N. & Birkedal, H. (2017). 3D-Røntgensyn afslører knoglernes indre. Aktuel Naturvidenskab, 1, 14-18. http://aktuelnaturvidenskab.dk/fileadmin/Aktuel_Naturvidenskab/nr-1/AN1-2017knogle.pdf

Yin, H. & Skrydstrup, T. (2017). Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions. Journal of Organic Chemistry, 82(12), 6474-6481. https://doi.org/10.1021/acs.joc.7b00942

Schmitz, G. & Hättig, C. (2017). Accuracy of Explicitly Correlated Local PNO-CCSD(T). Journal of Chemical Theory and Computation, 13(6), 2623-2633. https://doi.org/10.1021/acs.jctc.7b00180

Schmitz, G. A. & Christiansen, O. (2017). Accuracy of Frequencies Obtained with the Aid of Explicitly Correlated Wave Function Based Methods. Journal of Chemical Theory and Computation, 13(8), 3602-3613. https://doi.org/10.1021/acs.jctc.7b00476

Tolborg, K., Jørgensen, M. R. V., Christensen, S., Kasai, H., Becker, J., Walter, P., Dippel, A. C., Als-Nielsen, J. & Iversen, B. B. (2017). Accurate charge densities from powder X-ray diffraction - a new version of the Aarhus vacuum imaging-plate diffractometer. Acta Crystallographica Section B: Structural Science, 73(4), 521-530. https://doi.org/10.1107/S2052520617006357

Lutz, H., Jaeger, V., Bonn, M., Pfaendtner, J. & Weidner, T. (2017). Acetylation dictates the morphology of nanophase biosilica precipitated by a 14-amino acid leucine-lysine peptide. Journal of Peptide Science, 23(2), 141-147. https://doi.org/10.1002/psc.2960

Meroni, D., Lo Presti, L., Di Liberto, G., Ceotto, M., Acres, R. G., Prince, K. C., Bellani, R., Soliveri, G. & Ardizzone, S. (2017). A close look at the structure of the TiO₂-APTES interface in hybrid nanomaterials and its degradation pathway: An experimental and theoretical study. Journal of Physical Chemistry C, 121(1), 430-440. https://doi.org/10.1021/acs.jpcc.6b10720

Oktaviani, N. A., Pool, T. J., Yoshimura, Y., Kamikubo, H., Scheek, R. M., Kataoka, M. & Mulder, F. A. A. (2017). Active-Site pKa Determination for Photoactive Yellow Protein Rationalizes Slow Ground-State Recovery. Biophysical Journal, 112(10), 2109-2116. https://doi.org/10.1016/j.bpj.2017.04.008

Tørring, T., Shames, S. R., Cho, W., Roy, C. R. & Crawford, J. M. (2017). Acyl Histidines: New N-Acyl Amides from Legionella pneumophila. ChemBioChem, 18(7), 638-646. https://doi.org/10.1002/cbic.201600618

Huynh, T.-P., Sonar, P. & Haick, H. (2017). Advanced Materials for Use in Soft Self-Healing Devices. Advanced Materials, 29(19), Article 1604973. https://doi.org/10.1002/adma.201604973

Andersen, M., Tesauro, C., Gonzalez, M., Kristoffersen, E. L., Alonso, C., Rubiales, G., Coletta, A., Hougaard, R. F., Stougaard, M., Ho, M. Y.-P., Palacios, F. & Knudsen, B. R. (2017). Advantages of an optical nanosensor system for the mechanistic analysis of a novel topoisomerase I targeting drug: a case study. Nanoscale, 9(5), 1886-1895. https://doi.org/10.1039/C6NR06848K

Helmig, S. W. & Gothelf, K. V. (2017). AFM Imaging of Hybridization Chain Reaction-Mediated Signal Transmission Between two DNA Origami Structures. Angewandte Chemie International Edition, 56(44), 13633-13636. https://doi.org/10.1002/anie.201706680

Shankar, R., Ernst, M., Madhu, P. K., Vosegaard, T., Nielsen, N. C. & Nielsen, A. B. (2017). A general theoretical description of the influence of isotropic chemical shift in dipolar recoupling experiments for solid-state NMR. Journal of Chemical Physics, 146(13), Article 134105. https://doi.org/10.1063/1.4979123

Amini, K., Boll, R., Lauer, A., Burt, M., Lee, J. W. L., Christensen, L., Brauβe, F., Mullins, T., Savelyev, E., Ablikim, U., Berrah, N., Bomme, C., Düsterer, S., Erk, B., Höppner, H., Johnsson, P., Kierspel, T., Krecinic, F., Küpper, J. ... Rolles, D. (2017). Alignment, orientation, and Coulomb explosion of difluoroiodobenzene studied with the pixel imaging mass spectrometry (PImMS) camera. Journal of Chemical Physics, 147(1), Article 013933. https://doi.org/10.1063/1.4982220

Baudin, P., Bykov, D., Liakh, D., Ettenhuber, P. & Kristensen, K. (2017). A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD). Molecular Physics, 115(17-18), 2135-2144. https://doi.org/10.1080/00268976.2017.1290836

Meninno, S., Overgaard, J. & Lattanzi, A. (2017). Amine Thiourea Catalysed Double Michael Reaction: An Approach for the Asymmetric Synthesis of Spiro[pyrazolone-4,3′-tetrahydrothiophenes]. Synthesis, 49(7), 1509-1518. https://doi.org/10.1055/s-0036-1588725

Møller, K. T., Grinderslev, J. & Jensen, T. R. (2017). A NaAlH₄-Ca(BH₄)₂ composite system for hydrogen storage. Journal of Alloys and Compounds, 720, 497-501. https://doi.org/10.1016/j.jallcom.2017.05.264

Kuhlmann, M., Hamming, J. B. R., Voldum, A., Tsakiridou, G., Larsen, M. T., Schmøkel, J., Sohn, E., Bienk, K., Schaffert, D. H., Sørensen, E. S., Wengel, J., Dupont, D. M. & Howard, K. (2017). An albumin-oligonucleotide assembly for potential combinatorial drug delivery and half-life extension applications. Molecular Therapy - Nucleic Acids, 9, 284-293. https://doi.org/10.1016/j.omtn.2017.10.004

Rouse, S. L., Hawthorne, W. J., Berry, J.-L., Chorev, D. S., Ionescu, S. A., Lambert, S., Stylianou, F., Ewert, W., Mackie, U., Morgan, R. M. L., Otzen, D., Herbst, F.-A., Nielsen, P. H., Dueholm, M., Bayley, H., Robinson, C. V., Hare, S. & Matthews, S. (2017). A new class of hybrid secretion system is employed in Pseudomonas amyloid biogenesis. Nature Communications, 8(1), Article 263. https://doi.org/10.1038/s41467-017-00361-6

Destro, R., Ruffo, R., Roversi, P., Soave, R., Loconte, L. & Lo Presti, L. (2017). Anharmonic motions versus dynamic disorder at the Mg ion from the charge densities in pyrope (Mg3Al2Si3O12) crystals at 30 K: six of one, half a dozen of the other. Acta Crystallographica Section B: Structural Science, 73(4), 722-736. https://doi.org/10.1107/S2052520617006102

Anankanbil, S., Pérez, B., Yang, J., Banerjee, C. & Guo, Z. (2017). A novel array of interface-confined molecules: Assembling natural segments for delivery of multi-functionalities. Journal of Colloid and Interface Science, 508, 230-236. https://doi.org/10.1016/j.jcis.2017.08.052

Skoglund, S., Blomberg, E., Wallinder, I. O., Grillo, I., Pedersen, J. S. & Bergstrom, L. M. (2017). A novel explanation for the enhanced colloidal stability of silver nanoparticles in the presence of an oppositely charged surfactant. Physical Chemistry Chemical Physics, 19(41), 28037-28043. https://doi.org/10.1039/c7cp04662f

Andersen, T. L., Nordeman, P., Christoffersen, H. F., Audrain, H., Antoni, G. & Skrydstrup, T. (2017). Application of Methyl Bisphosphine-Ligated Palladium Complexes for Low Pressure N-¹¹C-Acetylation of Peptides. Angewandte Chemie International Edition, 56(16), 4549-4553. https://doi.org/10.1002/anie.201700446

Vinding, M. S., Brenner, D., Tse, D. H. Y., Vellmer, S., Vosegaard, T., Suter, D., Stöcker, T. & Maximov, I. (2017). Application of the limited-memory quasi-Newton algorithm for multi-dimensional, large flip-angle RF pulses at 7T. Magnetic Resonance Materials in Physics, Biology and Medicine, 30(1), 29-39. https://doi.org/10.1007/s10334-016-0580-1

Li, J., Vosegaard, T. & Guo, Z. (2017). Applications of nuclear magnetic resonance in lipid analyses: An emerging powerful tool for lipidomics studies. Progress in Lipid Research, 68, 37-56. https://doi.org/10.1016/j.plipres.2017.09.003

Pan, X., Shi, Z., Shi, C., Ling, T. C. & Li, N. (2017). A review on concrete surface treatment Part I: Types and mechanisms. Construction and Building Materials, 132, 578-590. https://doi.org/10.1016/j.conbuildmat.2016.12.025

Pan, X., Shi, Z., Shi, C., Ling, T. C. & Li, N. (2017). A review on surface treatment for concrete – Part 2: Performance. Construction and Building Materials, 133, 81-90. https://doi.org/10.1016/j.conbuildmat.2016.11.128

Galarneau, E., Patel, M., Brook, J. R., Charland, J. P., Glasius, M., Bossi, R. & Hung, H. (2017). Artefacts in semivolatile organic compound sampling with polyurethane foam substrates in high volume cascade impactors. Aerosol Science and Technology, 51(3), 247 – 257. https://doi.org/10.1080/02786826.2016.1267327

Biller, P., Lawson, D., Madsen, R. B., Becker, J., Iversen, B. B. & Glasius, M. (2017). Assessment of agricultural crops and natural vegetation in Scotland for energy production by anaerobic digestion and hydrothermal liquefaction. Biomass Conversion and Biorefinery, 7(4), 467-477. https://doi.org/10.1007/s13399-016-0230-x

Rojo-Gama, D., Nielsen, M., Wragg, D. S., Dyballa, M., Holzinger, J., Falsig, H., Lundegaard, L. F., Beato, P., Brogaard, R. Y., Lillerud, K. P., Olsbye, U. & Svelle, S. (2017). A Straightforward Descriptor for the Deactivation of Zeolite Catalyst H-ZSM-5. ACS Catalysis, 7(12), 8235-8246. https://doi.org/10.1021/acscatal.7b02193

Li, Y., Barløse, C., Jørgensen, J., Carlsen, B. D. & Jørgensen, K. A. (2017). Asymmetric Catalytic Aza-Diels-Alder/Ring-Closing Cascade Reaction Forming Bicyclic Azaheterocycles by Trienamine Catalysis. Chemistry - A European Journal, 23(1), 38-41. https://doi.org/10.1002/chem.201604310

Klier, L., Tur Espinosa, F., Poulsen, P. H. & Jørgensen, K. A. (2017). Asymmetric cycloaddition reactions catalysed by diarylprolinol silyl ethers. Chemical Society Reviews, 46(4), 1080-1102. https://doi.org/10.1039/c6cs00713a

Schmitz, G., Madsen, N. K. & Christiansen, O. (2017). Atomic-batched tensor decomposed two-electron repulsion integrals. Journal of Chemical Physics, 146(13), Article 134112. https://doi.org/10.1063/1.4979571

Di Liberto, G., Pifferi, V., Lo Presti, L., Ceotto, M. & Falciola, L. (2017). Atomistic Explanation for Interlayer Charge Transfer in Metal-Semiconductor Nanocomposites: The Case of Silver and Anatase. The Journal of Physical Chemistry Letters, 8(21), 5372-5377. https://doi.org/10.1021/acs.jpclett.7b02555

Franz, J., Van Zadel, M. J. & Weidner, T. (2017). A trough for improved SFG spectroscopy of lipid monolayers. Review of Scientific Instruments, 88(5), Article 053106. https://doi.org/10.1063/1.4982050

Warrick, E. R., Baekhoj, J. E., Cao, W., Fidler, A. P., Jensen, F., Madsen, L. B., Leone, S. R. & Neumark, D. M. (2017). Attosecond transient absorption spectroscopy of molecular nitrogen: Vibrational coherences in the b' ¹Σ⁺_u statestate⁺. Chemical Physics Letters, 683, 408-415. https://doi.org/10.1016/j.cplett.2017.02.013

Poulsen, N. N., Østergaard, J., Petersen, N. J., Daasbjerg, K., Iruthayaraj, J., Dedinaite, A., Makuska, R. & Jensen, H. (2017). Automated coating procedures to produce poly(ethylene glycol) brushes in fused-silica capillaries. Journal of Separation Science, 40(3), 779–788. https://doi.org/10.1002/jssc.201600878

Bogh, S. A., Simmermacher, M., Westberg, M., Bregnhøj, M., Rosenberg, M., De Vico, L., Veiga, M., Laursen, B. W., Ogilby, P. R., Sauer, S. P. A. & Sørensen, T. J. (2017). Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties. ACS Omega, 2(1), 193-203. https://doi.org/10.1021/acsomega.6b00211

Ferapontova, E. (2017). Basic concepts and recent advances in electrochemical analysis of nucleic acids. Current Opinion in Electrochemistry, 5(1), 218-225. https://doi.org/10.1016/j.coelec.2017.09.026

Elm, J. & Kristensen, K. (2017). Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters. Physical Chemistry Chemical Physics, 19(2), 1122-1133. https://doi.org/10.1039/c6cp06851k

Nagy, B. & Jensen, F. (2017). Basis Sets in Quantum Chemistry. In A. L. Parrill & K. Lipkowitz (Eds.), Reviews in computational chemistry (Vol. 30, pp. 93-150). Wiley.

Koefoed, L., Pedersen, S. U. & Daasbjerg, K. (2017). Bipolar electrochemistry—A wireless approach for electrode reactions. Current Opinion in Electrochemistry, 2(1), 13-17. https://doi.org/10.1016/j.coelec.2017.02.001

Schlafer, S., Ibsen, C. J. S., Birkedal, H. & Nyvad, B. (2017). Calcium-Phosphate-Osteopontin Particles Reduce Biofilm Formation and pH Drops in in situ-Grown Dental Biofilms. Caries Research, 51(1), 26-33. https://doi.org/DOI:10.1159/000451064

Alves, C., Pedersen, J. S. & Oliveira, C. L. P. (2017). Calculation of two-dimensional scattering patterns for oriented systems. Journal of Applied Crystallography, 50(3), 840-850. https://doi.org/10.1107/S1600576717005179

Yu, J., Biller, P., Mamakhel, M. A. H., Klemmer, M., Becker, J., Glasius, M. & Iversen, B. B. (2017). Catalytic hydrotreatment of bio-crude produced from hydrothermal liquefaction of aspen wood: A catalyst screening and parameter optimization study. Sustainable Energy & Fuels, 1(4), 832-841. https://doi.org/10.1039/C7SE00090A

Birkedal, H. (2017). Cation-π Interactions: Mimicking mussel mechanics. Nature Chemistry, 9(5), 408-409. https://doi.org/10.1038/nchem.2774

Displaying results 2001 to 2050 out of 5900

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Department of Chemistry