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Institut for Kemi

Publikationer

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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Fraile Carrasco, A., Schietroma, D. M. S., Albrecht, A., Davis, R. L. & Jørgensen, K. A. (2012). Asymmetric Synthesis of Hexahydropyrrolo-isoquinolines by an Organocatalytic Three-Component Reaction. Chemistry - A European Journal, 18(10), 2773-2776. https://doi.org/10.1002/chem.201200108

Dunér, G., Iruthayaraj, J., Daasbjerg, K., Pedersen, S. U., Thormann, E. & Dedinaite, A. (2012). Attractive double-layer forces and charge regulation upon interaction between electrografted amine layers and silica. Journal of Colloid and Interface Science, 385(1), 225-234. https://doi.org/10.1016/j.jcis.2012.06.071

Wood, K., Paz, A., Dijkstra, K., Scheek, R. M., Otten, R., Silman, I., Sussman, J. L. & Mulder, F. A. A. (2012). Backbone and side chain NMR assignments for the intrinsically disordered cytoplasmic domain of human neuroligin-3. Biomolecular N M R Assignments, 6(1), 15-8. https://doi.org/10.1007/s12104-011-9315-4

Hedegård, E. D., Jensen, F. & Kongsted, J. (2012). Basis Set Recommendations for DFT Calculations of Gas-Phase Optical Rotation at Different Wavelengths. Journal of Chemical Theory and Computation, 8(11), 4425–4433. https://doi.org/10.1021/ct300359s

Schouwink, P., D'Anna, VI., Ley, M. B., Daku, L. M. L., Richter, B., Jensen, T. R., Hagemann, H. & Cerný, R. (2012). Bimetallic Borohydrides in the System M(BH4)2–KBH4 (M = Mg, Mn): On the Structural Diversity. The Journal of Physical Chemistry Part C, 166(20), 10829-10840. https://doi.org/10.1021/jp212318s

Severinsen, K., Kraft, J. F., Koldsø, H., Vinberg, K. A., Rothman, R. B., Partilla, J. S., Wiborg, O., Blough, B., Schiøtt, B. & Sinning, S. (2012). Binding of the Amphetamine-like 1-Phenyl-piperazine to Monoamine Transporters. ACS Chemical Neuroscience, 3(9), 693-705. https://doi.org/10.1021/cn300040f

Hinton, T. M., Monaghan, P., Green, D., Kooijmans, S. A. A., Shi, S., Breheney, K., Tizard, M., Nicolazzo, J. A., Zelikin, A. N. & Wark, K. (2012). Biodistribution of polymer hydrogel capsules for the delivery of therapeutics. Acta Biomaterialia, 8(9), 3251-60. https://doi.org/10.1016/j.actbio.2012.05.028

Mi, J. & Iversen, B. B. (2012). Biomolecule-assisted hydrothermal synthesis of Bi₂Te₃ nanostructures. AIP Conference Proceedings, 1449, 87-90. https://doi.org/10.1063/1.4731503

Overgaard, J., Grin, Y., Takata, M. & Iversen, B. B. (2012). Charge Density in Materials and Energy Science. I C. Gatti & P. Macchi (red.), Modern Charge-Density Analysis (s. 469-504). Springer. https://doi.org/10.1007/978-90-481-3836-4

Overgaard, J. & Iversen, B. B. (2012). Charge Density Methods in Hydrogen Bond Studies. Structure and Bonding, 1-22. https://doi.org/10.1007/430_2010_28

Nielsen, J. T., Eghbalnia, H. R. & Nielsen, N. C. (2012). Chemical shift prediction for protein structure calculation and quality assessment using an optimally parameterized force field. Progress in Nuclear Magnetic Resonance Spectroscopy, 60, 1-28. https://doi.org/10.1016/j.pnmrs.2011.05.002

Slotsbo, S., Hansen, L. M., Jordaens, K., Backeljau, T., Malmendal, A., Nielsen, N. C. & Holmstrup, M. (2012). Cold tolerance and freeze-induced glucose accumulation in three terrestrial slugs. Comparative Biochemistry and Physiology -Part A : Molecular and Integrative Physiology, 161(4), 443-449. https://doi.org/10.1016/j.cbpa.2012.01.002

Oktaviani, N. A., Pool, T. J., Kamikubo, H., Slager, J., Scheek, R. M., Kataoka, M. & Mulder, F. A. A. (2012). Comprehensive determination of protein tyrosine pKa values for photoactive yellow protein using indirect 13C NMR spectroscopy. Biophysical Journal, 102(3), 579-86. https://doi.org/10.1016/j.bpj.2011.12.024

Olsen, J. S., Jorgensen, J.-E., Gerward, L., Vaitheeswaran, G., Kanchana, V. & Svane, A. (2012). Compressibility and structural stability of CeN from experiment and theory. The B1-B2 transition. Journal of Alloys and Compounds, 533, 29-32. https://doi.org/10.1016/j.jallcom.2012.04.018

Torbensen, K., Iruthayaraj, J., Ceccato, M., Kongsfelt, M. S., Breitenbach, T., Pedersen, S. U. & Daasbjerg, K. (2012). Conducting and ordered carbon films obtained by pyrolysis of covalently attached polyphenylene and polyanthracene layers on silicon substrates. Journal of Materials Chemistry, 22(35), 18172-18180. https://doi.org/10.1039/C2JM32935B

Toor, S. S., Rosendahl, L., Nielsen, M. P., Glasius, M., Rudolf, A. & Iversen, S. B. (2012). Continuous production of bio-oil by catalytic liquefaction from wet distiller’s grain with solubles (WDGS) from bio-ethanol production. Biomass & Bioenergy, 36, 327-332. https://doi.org/10.1016/j.biombioe.2011.10.044

Hansen, J. L., Nielsen, J. H., Madsen, C. B., Lindhardt, A. T., Johansson, M. P., Skrydstrup, T., Madsen, L. B. & Stapelfeldt, H. (2012). Control and femtosecond time-resolved imaging of torsion in a chiral molecule. Journal of Chemical Physics, 136(20), 204310. https://doi.org/10.1063/1.4719816

Bretschneider, C., Karabanov, A., Nielsen, N. C. & Köckenberger, W. (2012). Conversion of parahydrogen induced longitudinal two-spin order to evenly distributed single spin polarisation by optimal control pulse sequences. Journal of Chemical Physics, 136(9), 094201. https://doi.org/10.1063/1.3691193

Coriani, S., Christiansen, O., Fransson, T. & Norman, P. (2012). Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules. Physical Review A, 85, 022507(1-8). https://doi.org/10.1103/PhysRevA.85.022507

Halskov, K. S., Johansen, T. K., Davis, R., Hoff Steurer, M. M., Jensen, F. & Jørgensen, K. A. (2012). Cross-trienamines in Asymmetric Organocatalysis. Journal of the American Chemical Society, 134(31), 12943-12946. https://doi.org/10.1021/ja3068269

Kastbjerg, S., Uvarov, C., Kauzlarich, S. M., Chen, Y.-S., Nishibori, E., Spackman, M. A. & Iversen, B. B. (2012). Crystal structure and chemical bonding of the intermetallic Zintl phase Yb₁₁AlSb₉. Dalton Transactions , 41, 10347–10353. https://doi.org/10.1039/C2DT30278K

Gronnier, C., Kramer, S., Odabachian, Y. & Gagosz, F. (2012). Cu(I)-Catalyzed Oxidative Cyclization of Alkynyl Oxiranes and Oxetanes. Journal of the American Chemical Society, 134, 828-831. https://doi.org/10.1021/ja209866a

Hjørringgaard, C. U., Vad, B. S., Matchkov, V., Nielsen, S. B., Vosegaard, T., Nielsen, N. C., Otzen, D. & Skrydstrup, T. (2012). Cyclodextrin-Scaffolded Alamethicin with Remarkably Efficient Membrane Permeabilizing Properties and Membrane Current Conductance. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 116(26), 7652-7659. https://doi.org/10.1021/jp2098679

Bremholm, M., K. Kim, C., Hirai, D., Climent-Pascual, E., Xu, Q., W. Zandbergen, H., N. Ali, M. & Cava, R. J. (2012). Destabilization of the 6H-SrIrO3 polymorph through partial substitution of zinc and lithium. Journal of Materials Chemistry, 22, 16431-16436. https://doi.org/10.1039/c2jm32558f

Villadsen, S. R., Dithmer, L., Forsberg, R., Becker, J., Iversen, S. B., Iversen, B. B. & Glasius, M. (2012). Development and application of chemical analysis methods for investigation of bio-oils and aqueous phase from hydrothermal liquefaction of biomass. Energy & Fuels, 26, 6988-6998. https://doi.org/10.1021/ef300954e

Albrecht, L. K., Dickmeiss, G., Weise, C. F., Rodríguez-Escrich, C. & Jørgensen, K. A. (2012). Dienamine-Mediated Inverse-Electron-Demand Hetero-Diels–Alder Reaction by Using an Enantioselective H-Bond-Directing Strategy. Angewandte Chemie, 124(52), 13286-13290. https://doi.org/10.1002/ange.201207122

Cozzi, F., Grzinic, G., Cozzutto, S., Barbieri, P., Bovenzi, M. & Adami, G. (2012). Dimensional characterization of selected elements in airborne PM10 samples using m-SRXRF. X-Ray Spectrometry, 41(1). https://doi.org/10.1002/xrs.1377

Nielsen, N. C., Straasø, L. A. & Nielsen, A. B. (2012). Dipolar Recoupling. Topics in Current Chemistry, 306, 1-45.

Song, J., Arbona, J.-M., Zhang, Z., Liu, L., Xie, E., Elezgaray, J., Aime, J.-P., Gothelf, K. V., Besenbacher, F. & Dong, M. (2012). Direct visualization of transient thermal response of a DNA origami. Journal of the American Chemical Society, 134(24), 9844-9847. https://doi.org/10.1021/ja3017939

Galant, N. J., Lee, D. R., Fiser, B., Wang, H., Dawson, S. S. H., Ding, V. Z. Y., Setiadi, D. H., Mucsi, Z., Viskolcz, B., Jensen, S. K. & Csizmadia, I. G. (2012). Disulfidicity: A scale to characterize the disulfide bond strength via the hydrogenation thermodynamics. Chemical Physics Letters, 539-540, 11-14. https://doi.org/10.1016/j.cplett.2012.05.017

Tran, T. T., Bildsøe, H. K., Jakobsen, H. J. & Skibsted, J. (2012). Double cross-polarization MAS NMR in the assignment of abundant-spin resonances: 19F–{29Si}–19F FBCP/MAS NMR of fluoride ions incorporated in calcium silicate hydrate (C–S–H) phases. Journal of Magnetic Resonance, 221, 19-23.

Jain, S. K., Bjerring, M. & Nielsen, N. C. (2012). Efficient and Robust Heteronuclear Cross-Polarization for High-Speed-Spinning Biological Solid-State NMR Spectroscopy. The Journal of Physical Chemistry Letters, 3, 703-708.

Shipovskov, S., Saunders, A. M., Nielsen, J. S., Hansen, M. N., Gothelf, K. V. & Ferapontova, E. (2012). Electrochemical sandwich assay for attomole analysis of DNA and RNA from beer spoilage bacteria Lactobacillus brevis. Biosensors and Bioelectronics, 37, 99-106. https://doi.org/10.1016/j.bios.2012.05.001

Chernyy, S., Bousquet, A., Torbensen, K., Iruthayaraj, J., Ceccato, M., Pedersen, S. U., Daasbjerg, K. & Iruthayaraj, J. (2012). Elucidation of the Mechanism of Redox Grafting of Diazotated Anthraquinone. Langmuir, 28(25), 9573–9582. https://doi.org/10.1021/la301391s

Chernyy, S., Iruthayaraj, J., Ceccato, M., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2012). Elucidation of the Mechanism of Surface-Initiated Atom Transfer Radical Polymerization From a Diazonium-Based Initiator Layer. Journal of Polymer Science. Part A, Polymer Chemistry, 50(21), 4465–4475. https://doi.org/10.1002/pola.26253

Jacobsen, C. B., Albrecht, L., Udmark, J. R. K. & Jørgensen, K. A. (2012). Enantioselective Formation of Substituted 3,4-Dihydrocoumarins by a Multicatalytic One-Pot Process. Organic Letters, 14(21), 5526-5529. https://doi.org/10.1021/ol302627u

Albrecht, L. K., Cruz Acosta, F., Fraile Carrasco, A., Albrecht, A., Christensen, J. & Jørgensen, K. A. (2012). Enantioselective H-Bond-Directing Approach for Trienamine-mediated Reactions in Asymmetric Synthesis. Angewandte Chemie International Edition, 51(36), 9088–9092. https://doi.org/10.1002/anie.201204790

Steurer, M., Jensen, K. L., Worgull, D. & Jørgensen, K. A. (2012). Enantioselective One-Pot Synthesis of a-Amino Esters by a Phosphine-Catalyzed [3+2]-Cycloaddition Reaction. Chemistry - A European Journal, 18, 76.

Fejerskov, B., Jensen, B. E. B., Jensen, N. B. S., Chong, S. F. & Zelikin, A. N. (2012). Engineering surface adhered poly(vinyl alcohol) physical hydrogels as enzymatic microreactors. A C S Applied Materials and Interfaces, 4(9), 4981-90. https://doi.org/10.1021/am3013467

Yang, Z., Glasius, M. & Xu, X. (2012). Enzymatic Transesterification of Ethyl Ferulate with Fish Oil and Its Optimization by Response Surface Methodology. Food Technology and Biotechnology, 50(1), 88-97. http://www.ftb.com.hr/50/88.html

Oeemig, J. S., Lynggaard, C., Knudsen, D., Hansen, F. T., Noergaard, K. D., Schneider, T., Vad, B. S., Sandvang, D., Nielsen, L., Neve, S., Kristensen, H.-H., Sahl, H.-G., Otzen, D. & Wimmer, R. (2012). Eurocin, a new fungal defensin: structure, lipid binding and its mode of action. Journal of Biological Chemistry, 7, 42361-42372. https://doi.org/10.1074/jbc.M112.382028

Zare, A., Christensen, J. H., Irannejad, P. & Brandt, J. (2012). Evaluation of two isoprene emission models for using in a long-range air pollution model. Atmospheric Chemistry and Physics, 12, 7399-7412.

Hubert, M., Sørensen, L. K., Olsen, J. & Fleig, T. (2012). Excitation energies from relativistic coupled-cluster theory of general excitation rank: Initial implementation and application to the silicon atom and to the molecules XH (X = As, Sb, Bi). Physical Review A, 86, 012503. https://doi.org/10.1103/PhysRevA.86.012503

Sneskov, K. & Christiansen, O. (2012). Excited state coupled cluster methods. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2, 566-584. https://doi.org/10.1002/wcms.99

Kristiansen, M., Kryger, M., Zhang, Z., Voigt, N. V., Birkedal, V. & Gothelf, K. V. (2012). Extended DNA Tile Actuators. ChemPlusChem, 77(8), 636-642. https://doi.org/10.1002/cplu.201200149

Merrison, J. P., Gunnlaugsson, H. P., Hogg, M. R., Jensen, M., Lykke, J. M., Madsen, M. B., Nielsen, M. B., Nørnberg, P., Ottosen, T. A., Pedersen , R. T., Pedersen, S. & Sørensen, A. V. (2012). Factors affecting the electrification of wind-driven dust studied with laboratory simulations. Planetary and Space Science, 60, 328-335.

Balsgart, N. M. & Vosegaard, T. (2012). Fast Forward Maximum Entropy Reconstruction of Sparsely Sampled Data. Journal of Magnetic Resonance, 223, 164. https://doi.org/10.1016/j.jmr.2012.07.002

Vinding, M. S., Maximov, I., Tosner, Z. & Nielsen, N. C. (2012). Fast Numerical Design of Spatial-Selective RF Pulses in MRI using Krotov and Quasi-Newton Based Optimal Control Methods. Journal of Chemical Physics, 137.

Enemark-Rasmussen, K., Tran, T. T. & Skibsted, J. (2012). Fluoride ions as structural probe-ions in 19F MAS NMR studies of cement materials and thermally activated SCMs. I 32nd Cement and Concrete Science Conference 2012 (s. 59-64)

Cruz, D. C., Sánchez-Murcia, P. A. & Jørgensen, K. A. (2012). Formal asymmetric enone aminohydroxylation: organocatalytic one-pot synthesis of 4,5-disubstituted oxazolidinones. Chemical Communications, 48(49), 6112-6114. https://doi.org/10.1039/c2cc32385k

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Revideret 08.05.2026

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Institut for Kemi