Department of Chemistry

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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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Pajunen, T. I., Johansson, M. P., Hase, T. & Hopia, A. (2008). Autoxidation of Conjugated Linoleic Acid Methyl Ester in the Presence of α-Tocopherol: The Hydroperoxide Pathway. Lipids, 43, 599-610. https://doi.org/10.1007/s11745-008-3195-0
Hansen, M. B., Christiansen, O., Toffoli, D. & Kongsted, J. (2008). A virtual vibrational self-consistent-field method for efficient calculation of molecular vibrational partition functions and thermal effects on molecular properties. Journal of Chemical Physics, 128, 174106.
Christensen, M., Abrahamsen, A. B., Christensen, N. B., Juranyi, F., Andersen, N. H., Lefmann, K., Andersson, J., Bahl, C. R. H. & Iversen, B. B. (2008). Avoided Crossing of Rattler Modes in Thermoelectric Materials. Nature Materials, 7, 811-815.
Celik, L., Sinning, S., Severinsen, K., Hansen, C. G., Møller, M. S., Bols, M., Wiborg, O. & Schiøtt, B. (2008). Binding of Serotonin to the Human Serotonin Transporter. Molecular Modeling and Experimental Validation. Journal of the American Chemical Society, 3853-3865.
Shipovskov, S. & Ferapontova, E. (2008). Biocatalysis of theophylline oxidation by microbial theophylline oxidase in the presence of non-physiological electron acceptors. Biocatalysis and Biotransformation, 26(6), 508-518.
Andersen, C. S., Yan, H. & Gothelf, K. V. (2008). Bridging One Helical Turn in dsDNA by Templated Dimerization of Molecular Rods. Angewandte Chemie International Edition, 47, 5569-5572.
Garden, A. L., Halonen, L. & Kjærgaard, H. G. (2008). Calculated band profiles of the OH-stretching transitions in water dimer. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 112(32), 7439-7447.
Kjærgaard, H. G., Lane, J. R. & Vaida, V. (2008). Calculated electronic transitions of the water ammonia complex. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 128(3), 034202.
Kjærgaard, H. G., Garden, A. L., Chaban, G. M., Gerber, R. B., Matthews, D. A. & Stanton, J. F. (2008). Calculation of vibrational transition frequencies and intensities in water dimer: Comparison of different vibrational approaches. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 112(18), 4324-4335.
Kraft, J. F., Vestentoft, K., Christensen, B. H., Lovschall, H. & Balling, P. (2008). Calculus removal on a root cement surface by ultrashort laser pulses. Applied Surface Science, 254(7), 1895-1899.
Poulsen, T. B. & Jørgensen, K. A. (2008). Catalytic Asymmetric Friedel-Crafts Alkylation Reactions - Copper Showed the Way. Chemical Reviews, 108, 2903–2915.
Jacobsen, J., Visse, R., Sørensen, HP., Enghild, J. J., Brew, K., Wewer, UM. & Nagase, H. (2008). Catalytic Properties of ADAM12 and Its Domain Deletion Mutants. Biochemistry.
Osite, A., Viksna, A., Katkevich, J., Laursen, J. & Pind, N. (2008). Characterization of aerosol particles generated from in vitro fuel burning eksperiments. Latvijas Kimijas Zurnals, (4), 382-393.
Skibsted, J. & Hall, C. (2008). Characterization of cement minerals, cements and their reaction products at the atomic and nano scale. Cement and Concrete Research, 38, 205-225.
Jørgensen, J.-E., Katelnikovas, A., Juestel, T., Uhlich, D., Sakirzanovas, S. & Kareiva, A. (2008). Characterization of cerium-doped yttrium aluminium garnet nanopowders synthesized via sol-gel process. Chemical Engineering Communications, 195(7), 758-769.
Nesgaard, L. W., Hoffmann, S. V., Andersen, C. B., Malmendal, A. & Otzen, D. (2008). Characterization of Dry Globular Proteins and Protein Fibrils by Synchrotron Radiation Vacuum UV Circular Dichroism. Biopolymers, 89(9), 779-795.
Glasius, M., Ketzel, M., Wåhlin, P., Bossi, R., Stubkjær, J., Hertel, O. & Palmgren, F. (2008). Characterization of particles from residential wood combustion and modelling of spatial variation in a low-strength emission area. Atmospheric Environment, 42(37), 8686-8697. https://doi.org/10.1016/j.atmosenv.2008.04.037
Lindhardt, A. T. & Skrydstrup, T. (2008). Classical Reagents: New Surprises in Palladium-Catalyzed C-C Coupling Reactions. Chemistry - A European Journal, 14, 8756.
Würtz, P., Permi, P., Nielsen, N. C. & Sørensen, O. W. (2008). Clean HMBC: Suppression of strong-coupling induced artifacts in HMBC spectra. Journal of Magnetic Resonance, 194(1), 89-98. https://doi.org/10.1016/j.jmr.2008.06.002
Britz, D., Østerby, O. & Strutwolf, J. (2008). Comparison of flux approximations in electrochemical digital simulation. Part 2: Complications due to homogeneous chemical reactions, charge estimation and application to the ultramicrodisk electrode. Journal of Electroanalytical Chemistry, 622(1), 51-58. https://doi.org/10.1016/j.jelechem.2008.05.013
Palmer, M. H., Larsen, R. W. & Hegelund, F. (2008). Comparison of theoretical and experimental studies of infrared and microwave spectral data for 5-and 6-membered ring heterocycles: The rotation constants, centrifugal distortion and vibration rotation constants: Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction. Journal of Molecular Spectroscopy, 252(1), 60-71.
Svaneborg, C., Everaers, R., Grest, G. S. & Curro, J. G. (2008). Connectivity and Entanglement Stress Contributions in Strained Polymer Networks. Macromolecules, 41(13), 4920-4928. https://doi.org/10.1021/ma800018f
Højbjerre, K., Offenberg, D., Bisgaard, C., Stapelfeldt, H., Staanum, P. F., Mortensen, A. & Drewsen, M. (2008). Consecutive photodissociation of a single complex molecular ion. Physical Review A, 77(030702(R)).
Bertelsen, S., Lyng Johansen, R. & Jørgensen, K. A. (2008). Controlling the Formation of 1 out of 64 Stereoisomers by Organocatalysis. Chemical Communications, 3016.
Peng, Z., Holm, A. H., Nielsen, L. T., Pedersen, S. U. & Daasbjerg, K. (2008). Covalent Sidewall Functionalization of Carbon Nanotubes by a "Formation‑Degradation" Approach. Chemistry of Materials, 20, 6068-6075.
Becker-Christensen, J., Hald, P., Bremholm, M., Pedersen, J. S., Chevallier, J., Iversen, S. B. & Iversen, B. B. (2008). Critical Size of Crystalline ZrO2 Nanoparticles Synthesized in Near- and Supercritical Water and Supercritical Isopropyl Alcohol. A C S Nano, 2(5), 1058-1068.
Giehm, L., Christensen, C., Boas, U., Heegaard, P. M. H. & Otzen, D. (2008). Dendrimers destabilize proteins in a generation-dependent manner involving eletrostatic interactions. Biopolymers, 89, 522-529.
Madsen, M. S., Gross, A., Falsig, H., Osted, A., Kongsted, J., Mikkelsen, K. V. & Christiansen, O. (2008). Determination of rate constants for the uptake process involving SO2 and an aerosol particle. A quantum mechanics/molecular mechanics and quantum statistical investigation. Chemical Physics, 348(1-3), 21-30.
Schiøtt, B. & Lie, M. A. (2008). DFT Study of Solvation Effects on the Tautomeric Equlibrium and Catalytic Ylide Generation of Thiamin Models. Journal of Computational Chemistry, 29, 1037-1047.
Otzen, D. (2008). Differential adsorption of variants of the thermomyces lanuginosus lipase on a hydrophobic surface suggests a role for local flexibility. Colloids and Surfaces B: Biointerfaces, (64), 223-228.
Britz, D. (2008). Digital simulation of diffusion limited chronoamperometry at disk electrodes without Neumann boundary conditions on the axis or at the insulating plane. International Journal of Electrochemical Science, 3(10), 1108-1116.
Mittag, T., Christensen, K. L., Lindsay, K., Nielsen, N. C. & Skrydstrup, T. (2008). Direct Entry to Peptidyl Ketones via SmI2-Mediated C−C Bond Formation with Readily Accessible N-Peptidyl Oxazolidinones. Journal of Organic Chemistry, 73(3), 1088–1092. https://doi.org/10.1021/jo702286b
Christensen, H., Christiansen, M. S., Petersen, J. & Jensen, H. H. (2008). Direct formation of ß-glycosides of N-acetyl glycosamines mediated by rare earth metal triflates. Organic and Biomolecular Chemistry, 6, 3276-3283.
Gøgsig, T., Søbjerg, L. S., Lindhardt, A. T., Jensen, K. L. & Skrydstrup, T. (2008). Direct Vinylation and Difluorovinylation of Arylboronic Acids Using Vinyl- and 2,2-Difluorovinyl Tosylates via the Suzuki−Miyaura Cross Coupling. Journal of Organic Chemistry, 73(9), 3404-3410.
Andersen, E. S., Dong, M., Nielsen, M. M., Jahn, K., Lind-Thomsen, A., Mamdouh, W., Gothelf, K. V., Besenbacher, F. & Kjems, J. (2008). DNA origami design of dolphin-shaped structures with flexible tails. A C S Nano, 2(6), 1213-8. https://doi.org/10.1021/nn800215j
Svane, A. S. P., Jahn, K., Deva, T., Malmendal, A., Otzen, D., Dittmer, J. & Nielsen, N. C. (2008). Early Stages of Amyloid Fibril Formation Studied by Liquid-State NMR: The Peptide Hormone Glucagon. Biophysical Journal, 95(1), 366 – 377. https://doi.org/10.1529/biophysj.107.122895
Knudsen, S. K., Westergaard, U. B., Frantzmann, M., Stensballe, A. & Otzen, D. (2008). Effect of glycosylation on biphysical and flocculative properties of the extracellular domain of Ag43. Biochemical Journal, (412), 563-577.
Johnsen, M. & Ogilby, P. R. (2008). Effect of Solvent on Two-Photon Absorption by Vinyl Benzene Derivatives. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 112, 7831-7839.
Johnsen, M., Paterson, M. J., Arnbjerg, J., Christiansen, O., Nielsen, C. B., Jørgensen, M. & Ogilby, P. R. (2008). Effects of Conjugation Length and Resonance Enhancement on Two-Photon Absorption in Phenylene-Vinylene Oligomers. Physical Chemistry Chemical Physics, 10, 1177-1191.
Kaltzoglou, A., Fässler, T., Christensen, M., Johnsen, S., Iversen, B. B., Presniakov, I., Sobolev, A. & Shevelkov, A. (2008). Effects of the order-disorder phase transition on the physical properties of A8Sn44[]2 (A = Rb, Cs). Journal of Materials Chemistry, 18, 5630-5637.
Kristensen, K., Jørgensen, P., J. Thorvaldsen, A. & Helgaker, T. (2008). Efficient elimination of response parametes in molecular property calculations for variational and non-variational energies. Journal of Chemical Physics, 129, 214103.
Ferapontova, E., Mountford, C. P., Crain, J., Dickinson, P., Beattie, J. S., Ghazal, P., Walton, A. J., Terry, J. G. & Mount, A. R. (2008). Electrochemical control of a DNA Holliday junction nanoswitch by Mg2+ ions. Biosensors and Bioelectronics, 24(3), 422-428.
Vase, K. H., Holm, A. H., Norrman, K., Pedersen, S. U. & Daasbjerg, K. (2008). Electrochemical Surface Derivatization of Glassy Carbon by the Reduction of Triaryl- and Alkyldiphenylsulfonium Salts. Langmuir, 24, 182-188.
Schleicher, O., Bossi, R. & Glasius, M. (2008). Emission of PCDD/F from woodstoves in Denmark. Organohalogen Compounds, (70), 2135-2138.
Albrecht, L., Richter, B., Crawczyk, H. & Jørgensen, K. A. (2008). Enantioselective Organocatalytic Approach to α-Methylene-δ-Lactones and δ-Lactams. Journal of Organic Chemistry, 73(21), 8337-8343.
Dubin, G., Stec-Niemczyk, J., Kisielewska, M., Pustelny, K., Popowicz, GM., Bista, M., Kantyka, T., Boulware, KT., Stennicke, HR., Czarna, A., Phopaisarn, M., Daugherty, PS., Thøgersen, I., Enghild, J. J., Thornberry, N., Dubin, A. & Potempa, J. (2008). Enzymatic activity of the Staphylococcus aureus SplB serine protease is induced by substrates containing the sequence Trp-Glu-Leu-Gln. Journal of Molecular Biology, 379(30).
Sörensen, M. H., Corkery, R. W., Pedersen, J. S., Rosenholm, J. & Alberius, P. C. (2008). Expansion of the F127-templated mesostructure in aerosol-generated particles by using polypropylene glycol as a swelling agent. Microporous and Mesoporous Materials, 113, 1-13.
Overgaard, J., Clausen, H. F., Platts, J. A. & Iversen, B. B. (2008). Experimental and Theoretical Charge Density Study of Chemical Bonding in a Co Dimer Complex. Journal of the American Chemical Society, 130, 3834-3843.
Celik, L., Lund, J. D. D. & Schiøtt, B. (2008). Exploring Interactions of Endocrine Disrupting Compounds with Different Conformations of the Human Estrogen Receptor α. A Molecular Docking Study. Chemical Research in Toxicology, 21(11), 2195-2206. https://doi.org/10.1021/tx800278d
Johansson, M. P., Vaara, J. & Sundholm, D. (2008). Exploring the Stability of Golden Fullerenes. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 112, 19311–19315. https://doi.org/10.1021/jp808076f

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Department of Chemistry