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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Lam, A. T., Faragó, E. P., Owen, M. C., Fiser, B., Jójárt, B., Jensen, S. K., Csizmadia, I. G. & Viskolcz, B. (2014). The effect of oxidative stress on the bursopentin peptide structure: a theoretical study. Physical Chemistry Chemical Physics, 16(20), 9602-9609. https://doi.org/10.1039/c3cp54799j
Hansen, A. M. K., Hong, J., Kristensen, K., Ylisirniö, A., Virtanen, A., Petäjä, T., Glasius, M. & Prisle, N. L. (2014). The hygroscopic properties of limonene-derived organosulfates and their mixtures with ammonium sulfate at sub- and supersaturated conditions. I M. Kulmala, M. Boy & J. Kontkanen (red.), Proceedings of Nordic Center of Excellence in 'Cryosphere-Atmosphere Interactions in a Changing Arctic Climate': Annual Meeting 2014 (s. 35-38). Finnish Association for Aerosol Research. http://www.atm.helsinki.fi/FAAR/reportseries/rs-155.pdf
Andreasen, M., Skeby, K. K., Zhang, S., Nielsen, E. H., Klausen, L. H., Frahm, H., Christiansen, G., Skrydstrup, T., Dong, M., Schiøtt, B. & Otzen, D. (2014). The Importance of Being Capped: Terminal Capping of an Amyloidogenic Peptide Affects Fibrillation Propensity and Fibril Morphology. Biochemistry, 53(44), 6968-6980. https://doi.org/10.1021/bi500674u
Wang, X., Sø, L. U., Su, R., Wendt, S., Hald, P., Mamakhel, M. A. H., Yang, C., Huang, Y., Iversen, B. B. & Besenbacher, F. (2014). The influence of crystallite size and crystallinity of anatase nanoparticles on the photo-degradation of phenol. Journal of Catalysis, 310, 100-108. https://doi.org/10.1016/j.jcat.2013.04.022
Sharifi, S., Jensen, G. V., Pedersen, J. S., Marti, O. & Amirkhani, M. (2014). The mixture of poly(propylene-glycol)-block-poly(ethylene-glycol)-block-PPG with C12E5 microemulsion. Physics and Chemistry of Liquids, 52(1), 113-121. https://doi.org/10.1080/00319104.2013.806215
Garg, N. & Skibsted, J. (2014). Thermal activation of a pure montmorillonite clay and its reactivity in cementitious systems. The Journal of Physical Chemistry Part C, 118(21), 11464-11477. https://doi.org/10.1021/jp502529d
Jensen, T. R. & Roedern, E. (2014). Thermal Decomposition of Mn(BH4)2–M(BH4)x and Mn(BH4)2-MHx Composites with M = Li, Na, Mg, and Ca. The Journal of Physical Chemistry Part C, 118(41), 23567-23574. https://doi.org/10.1021/jp507770g
Lorenzen, N., Nielsen, S. B., Buell, A. K., Kaspersen, J. D., Arosio, P., Vad, B. S., Paslawski, W., Christiansen, G., Valnickova Hansen, Z., Andreasen, M., Enghild, J. J., Pedersen, J. S., Dobson, C. M., Knowles, T. P. J. & Otzen, D. (2014). The role of stable α-synuclein oligomers in the molecular events underlying amyloid formation. Journal of the American Chemical Society, 136(10), 3859-3868. https://doi.org/10.1021/ja411577t
Behrens, M. A., Sendall, T. J., Pedersen, J. S., Kjeldgaard, M., Huntington, J. A. & Jensen, J. K. (2014). The Shapes of Z-α1-Antitrypsin Polymers in Solution Support the C-Terminal Domain-Swap Mechanism of Polymerization. Biophysical Journal, 107(8), 1905-1912. https://doi.org/10.1016/j.bpj.2014.08.030
Mauri, S., Weidner, T. & Arnolds, H. (2014). The structure of insulin at the air/water interface: monomers or dimers? Physical Chemistry Chemical Physics, 16(48), 26722-26724. https://doi.org/10.1039/c4cp04926h
Stern, S., Holmegaard, L., Filsinger, F., Rouzée, A., Rudenko, A., Johnsson, P., Martin, A. V., Barty, A., Bostedt, C., Bozek, J. D., Coffee, R. N., Epp, S., Erk, B., Foucar, L., Hartmann, R., Kimmel, N., Kühnel, K.-U., Maurer, J., Messerschmidt, M. ... Küpper, J. (2014). Toward atomic resolution diffractive imaging of isolated molecules with x-ray free-electron lasers. Faraday Discussions, 171, 393-418. https://doi.org/10.1039/C4FD00028E
Niu, L., Liu, L., Xu, M., Cramer, J., Gothelf, K. V., Dong, MD., Besenbacher, F., Zeng, Q., Yang, Y. & Wang, C. (2014). Transformation of beta-sheet structures of the amyloid peptide induced by molecular modulators. Chemical Communications, 50(64), 8923-8926. https://doi.org/10.1039/c4cc02748e
Zeng, G., Liu, L., Xia, D., Li, Q., Xin, Z., Wang, J., Besenbacher, F., Skrydstrup, T. & Dong, MD. (2014). Transition of chemically modified diphenylalanine peptide assemblies revealed by atomic force microscopy. R S C Advances, 4(15), 7516-7520. https://doi.org/10.1039/c3ra46718j
Jensen, A. C. S., Ibsen, C. J. S., Sutherland, D. S. & Birkedal, H. (2014). Transparent aggregates of nanocrystalline hydroxyapatite. Crystal Growth & Design, 14(12), 6343-6349. https://doi.org/10.1021/cg501080c
Li, Y., López-Delgado, F. J., Jørgensen, D. K. B., Nielsen, R. P., Jiang, H. & Jørgensen, K. A. (2014). Trienamine-mediated asymmetric [4+2]-cycloaddition of α,β-unsaturated ester surrogates applying 4-nitro-5-styrylisoxazoles. Chemical Communications, 50(99), 15689-91. https://doi.org/10.1039/c4cc08171d
Modvig, A., Andersen, T. L., Taaning, R. H., Lindhardt, A. T. & Skrydstrup, T. (2014). Two-chamber hydrogen generation and application: access to pressurized deuterium gas. Journal of Organic Chemistry, 79(12), 5861-8. https://doi.org/10.1021/jo500801t
Nguyen, Q., Christensen, M. K., Cozzi, F., Zare, A., Hansen, A. M. K., Kristensen, K., Tulinius, T. E., Madsen, H., Christensen, J. H., Brandt, J., Massling, A., Nøjgaard, J. K. & Glasius, M. (2014). Understanding the anthropogenic influence on formation of biogenic secondary organic aerosols in Denmark via analysis of organosulfates and related oxidation products. Atmospheric Chemistry and Physics, 14, 8961-8981. https://doi.org/10.5194/acp-14-8961-2014
Jensen, F. (2014). Unifying general and segmented contracted basis sets. Segmented polarization consistent basis sets. Journal of Chemical Theory and Computation, 10(3), 1074-1085. https://doi.org/10.1021/ct401026a
Jensen, S. K., Thøgersen, J. & Keiding, S. R. (2014). Vibrational relaxation of NO3-(aq). Chemical Physics, 442, 86-92. https://doi.org/10.1016/j.chemphys.2014.03.014
Nielsen, J. T. & Nielsen, N. C. (2014). VirtualSpectrum, a Tool for Simulating Peak List for Multiple-Dimensional NMR Spectra. Journal of Biomolecular N M R, 60(1), 51-66. https://doi.org/10.1007/s10858-014-9851-1
Mirbagheri, N., Wang, D., Peng, C., Wang, J., Huang, Q., Fan, C. & Ferapontova, E. (2014). Visible Light Driven Photoelectrochemical Water Oxidation by Zn- and Ti- doped Hematite Nanostructures. A C S Catalysis, 4(6), 2006-2015. https://doi.org/10.1021/cs500372v
Su, R., Forde, M., He, Q., Shen, Y., Wang, X., Dimitratos, N., Wendt, S., Huang, Y., Iversen, B. B., Kiely, C., Besenbacher, F. & Hutchings, G. (2014). Well-controlled metal co-catalysts synthesised by chemical vapour impregnation for photocatalytic hydrogen production and water purification. Dalton Transactions , 43(40), 14976-14982. https://doi.org/10.1039/C4DT01309C
Küpper, J., Stern, S., Holmegaard, L., Filsinger, F., Rouzée, A., Rudenko, A., Johnsson, P., V. Martin, A., Adolph, M., Aquila, A., Bajt, S., Barty, A., Bostedt, C., Bozek, J., Caleman, C., Coffee, R., Coppola, N., Delmas, T., Epp, S. ... N. Chapman, H. (2014). X-ray Diffraction from Isolated and Strongly Aligned Gas-Phase Molecules with a Free-Electron Laser. Physical Review Letters, 112, 083002,1-6. https://doi.org/10.1103/PhysRevLett.112.083002
Mortuza, G. B., Cavazza, T., Garcia-Mayoral, M. F., Hermida, D., Peset, I., Pedrero, J. G., Merino, N., Blanco, F. J., Lyngso, J., Bruix, M., Pedersen, J. S., Vernos, I. & Montoya, G. (2014). XTACC3-XMAP215 association reveals an asymmetric interaction promoting microtubule elongation. Nature Communications, 5, Artikel 5072. https://doi.org/10.1038/ncomms6072
Albrecht, L., Villegas, C., Jacobsen, C. B. & Jørgensen, K. A. (2013). 1,4-Naphthoquinones in H-Bond-Directed Trienamine-Mediated Strategies. Organic Letters, 15(12), 3010-3013. https://doi.org/10.1021/ol401204a
Godtliebsen, I. H. & Christiansen, O. (2013). A band Lanczos approach for calculation of vibrational coupled cluster response functions: simultaneous calculation of IR and Raman anharmonic spectra for the complex of pyridine and a silver cation. Physical Chemistry Chemical Physics, 15, 10035-10048. https://doi.org/10.1039/C3CP50283J
Korsager, S., Nielsen, D. U., Taaning, R. H. & Skrydstrup, T. (2013). Access to β-keto esters by palladium-catalyzed carbonylative coupling of aryl halides with monoester potassium malonates. Angewandte Chemie International Edition, 52(37), 9763-9766. https://doi.org/10.1002/anie.201304072
Olliges-Stadler, I., Rossell, M. D., Süess, M. J., Ludi, B., Bunk, O., Pedersen, J. S., Birkedal, H. & Niederberger, M. (2013). A comprehensive study of the crystallization mechanism involved in the nonaqueous formation of tungstite. Nanoscale, 5(18), 8517-8525. https://doi.org/10.1039/c3nr02020g
Nielsen, A. B., Jain, S. K., Ernst, M., Meier, B. H. & Nielsen, N. C. (2013). Adiabatic Rotor-Echo-Short-Pulse-Irradiation Mediated Cross-Polarization. Journal of Magnetic Resonance, 237, 147-151. https://doi.org/10.1016/j.jmr.2013.09.002
Liu, M., Fu, J., Hejesen, C., Yang, Y., Woodbury, N. W., Gothelf, K., Liu, Y. & Yan, H. (2013). A DNA tweezer-actuated enzyme nanoreactor. Nature Communications, 4, Artikel 2127. https://doi.org/10.1038/ncomms3127
Skibsted, J. (2013). Aluminum incorporated in the Calcium Silicate Hydrate (C-S-H) phase studied by solid-state NMR spectroscopy. I D. Stephan, H. V. Daake & G. Land (red.), Proceedings of the 1st International Conference on the Chemistry of Construction Materials, 7-9 October 2013, Berlin GDCh Division of Chemistry of Construction Chemicals.
Elm, J., Jørgensen, S., Bilde, M. & Mikkelsen, K. V. (2013). Ambient reaction kinetics of atmospheric oxygenated organics with the OH radical: A computational methodology study. Physical Chemistry Chemical Physics, 15(24), 9636-9645. https://doi.org/10.1039/c3cp50192b
Jiang, H., Albrecht, L. & Jørgensen, K. A. (2013). Aminocatalytic remote functionalization strategies. Chemical Science, 4(6), 2287-2300. https://doi.org/10.1039/c3sc50405k
Ahlburg, A., Lindhardt, A. T., Taaning, R. H., Modvig, A. E. & Skrydstrup, T. (2013). An air-tolerant approach to the carbonylative Suzuki-Miyaura coupling: applications in isotope labeling. Journal of Organic Chemistry, 78(20), 10310–10318. https://doi.org/10.1021/jo401696c
Jensen, F. (2013). Analysis of energy-optimized Gaussian basis sets for condensed phase density functional calculations. Theoretical Chemistry Accounts, 132(8), Artikel 1380. https://doi.org/10.1007/s00214-013-1380-6
Leardini, F., Paolone, A., Palumbo, O., Cantelli, R., Nielsen, T. K. & Jensen, T. R. (2013). Anelastic spectroscopy investigation of nano-confined alanates. Journal of Alloys and Compounds, 580(SUPPL1), S70-S72. https://doi.org/10.1016/j.jallcom.2013.03.226
Bosio, G., Breitenbach, T., Parisi, J., Reigosa, M., Blaikie, F. H., Pedersen, B. W., Silva, E. F. F. D., Martire, D. & Ogilby, P. R. (2013). Antioxidant beta-Carotene does not Quench Singlet Oxygen in Mammalian Cells. Journal of the American Chemical Society, 135(1), 272-279. https://doi.org/10.1021/ja308930a
Høyvik, I.-M., Kristensen, K., Kjærgaard, T. & Jørgensen, P. (2013). A perspective on the localizability of Hartree-Fock orbitals. Theoretical Chemistry Accounts, 133(1), Artikel UNSP 1417 . https://doi.org/10.1007/s00214-013-1417-x
Elm, J., Bilde, M. & Mikkelsen, K. V. (2013). Assessment of binding energies of atmospherically relevant clusters. Physical Chemistry Chemical Physics, 15(39), 16442-16445. https://doi.org/10.1039/c3cp52616j
Dell'Amico, L., Companyo, X., Naicker, T., Bräuer, T. M. & Jørgensen, K. A. (2013). Asymmetric organocatalytic benzylation of α,β-unsaturated aldehydes with toluenes. European Journal of Organic Chemistry, 2013(24), 5262-5265. https://doi.org/10.1002/ejoc.201300899
Jiang, H., Cruz, D. C., Li, Y., Lauridsen, V. H. & Jørgensen, K. A. (2013). Asymmetric Organocatalytic Thio-Diels–Alder Reactions via Trienamine Catalysis. Journal of the American Chemical Society, 135(13), 5200–5207. https://doi.org/10.1021/ja4007244
Bindzus, N., Cargnoni, F., Iversen, B. B. & Gatti, C. (2013). A Theoretical Study on the Rotational Motion and Interactions in the Disordered Phase of MBH4 (M = Li, Na, K, Rb, Cs). The Journal of Physical Chemistry Part C, 117(5), 2308-2316. https://doi.org/10.1021/jp308777n
Jensen, F. (2013). Atomic orbital basis sets. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3(3), 273-295. https://doi.org/10.1002/wcms.1123
Hejesen, C., Pedersen, L. K., Gothelf, K. V. & Hansen, N. J. V. (2013). A Traceless Aryl-Triazene Linker for DNA-Directed Chemistry. Organic & Biomolecular Chemistry, 11(15), 2493-2497. https://doi.org/10.1039/C3OB27504C
Gerlei, K. Z., Jákli, I., Szőri, M., Jensen, S. K., Viskolcz, B., Csizmadia, I. G. & Perczel, A. (2013). Atropisomerism of the Asn α Radicals Revealed by Ramachandran Surface Topology. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 117(41), 12402-12409. https://doi.org/10.1021/jp4070906
Bright, S. A., Brinkø, A., Larsen, M. T., Sinning, S., Williams, D. C. & Jensen, H. H. (2013). Basic N-interlinked imipramines show apoptotic activity against malignant cells including Burkitt's lymphoma. Bioorganic & Medicinal Chemistry Letters, 23(5), 1220-4. https://doi.org/10.1016/j.bmcl.2013.01.020
Dell'Amico, L., Albrecht, L., Naicker, T., Poulsen, P. H. & Jørgensen, K. A. (2013). Beyond Classical Reactivity Patterns: Shifting from 1,4- to 1,6-Additions in Regio- and Enantioselective Organocatalyzed Vinylogous Reactions of Olefinic Lactones with Enals and 2,4-Dienals. Journal of the American Chemical Society, 135(21), 8063-8070. https://doi.org/10.1021/ja4029928
Roodbeen, R., Paaske, B., Jiang, L., Jensen, J. K., Christensen, A., Nielsen, J. T., Huang, M., Mulder, F. A. A., Nielsen, N. C., Andreasen, P. & Jensen, K. J. (2013). Bicyclic Peptide Inhibitor of Urokinase-Type Plasminogen Activator: Mode of Action. ChemBioChem, 14(16), 2179–2188. https://doi.org/10.1002/cbic.201300335
Fejerskov, B., Smith, A. A. A., Jensen, B. E. B., Hussmann, T. & Zelikin, A. N. (2013). Bioresorbable Surface-Adhered Enzymatic Microreactors Based on Physical Hydrogels of Poly(vinyl alcohol). Langmuir, 29(1), 344-54. https://doi.org/10.1021/la3040903
Gibbs, G. V., Ross, N. L., Cox, D. F., Rosso, K. M., Iversen, B. B. & Spackman, M. A. (2013). Bonded Radii and the Contraction of the Electron Density of the Oxygen Atom by Bonded Iteractions. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 117(7), 1632-1640. https://doi.org/10.1021/jp310462g

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Institut for Kemi