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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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Laumann, A., Boysen, H., Bremholm, M., Fehr, K. T., Hoelzel, M. & Holzapfel, M. (2011). Lithium Migration at High Temperatures in Li₄Ti₅O₁₂ Studied by Neutron Diffraction. Chemistry of Materials, 23(11), 2753–2759. https://doi.org/10.1021/cm103332y

Jansik, B., Høst, S., Kristensen, K. & Jørgensen, P. (2011). Local orbitals by minimizing powers of the orbital variance. Journal of Chemical Physics, 134(19), 194104. https://doi.org/10.1063/1.3590361

Bertelsen, K., Vad, B., Nielsen, E. H. T., Hansen, S. K., Skrydstrup, T., Otzen, D., Vosegaard, T. & Nielsen, N. C. (2011). Long-term-stable ether-lipid vs conventional ester-lipid bicelles in oriented solid-state NMR: altered structural information in studies of antimicrobial peptides. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 115(8), 1767-1774. https://doi.org/10.1021/jp110866g

Nielsen, A. B., Jain, S. K. & Nielsen, N. C. (2011). Low-power homonuclear dipolar recoupling using supercycled symmetry-based and exponentially-modulated pulse sequences. Chemical Physics Letters, 503, 310-315.

Giehm, L., Svergun, D. I., Otzen, D. E. & Vestergaard, B. (2011). Low-resolution structure of a vesicle disrupting α-synuclein oligomer that accumulates during fibrillation. Proceedings of the National Academy of Sciences (PNAS), 108(8), 3246-3251. https://doi.org/10.1073/pnas.1013225108

Pasquini, L., Callini, E., Brighi, M., Boscherini, F., Montone, A., Jensen, T. R., Maurizio, C., Vittori Antisari, M. & Bonetti, E. (2011). Magnesium nanoparticles with transition metal decoration for hydrogen storage. Journal of Nanoparticle Research, 13, 5727-5737. https://doi.org/10.1007/s11051-011-0509-6

Jørgensen, M. R. V., Christensen, M., Schmøkel, M. S. & Iversen, B. B. (2011). Magnetic Structure of Ni(DCOO)₂(D₂O)₂. Inorganic Chemistry, 50, 1441. https://doi.org/10.1021/ic102008a

Otzen, D. E. (2011). Mapping the folding pathway of the transmembrane protein DsbB by protein engineering. Protein Engineering, Design and Selection, 24(1-2), 139-149. https://doi.org/10.1093/protein/gzq079

Macchi, F., Hoffmann, S. V., Carlsen, M., Vad, B. S., Imparato, A., Rischel, C. & Otzen, D. (2011). Mechanical stress affects glucagon fibrillation kinetics and fibril structure. Langmuir, 27(20), 12539–12549. https://doi.org/10.1021/la202125c

Pakkanen, K. I., Duelund, L., Qvortrup, K., Pedersen, J. S. & Ipsen, J. H. (2011). Mechanics and dynamics of triglyceride-phospholipid model membranes: Implications for cellular properties and function. Biochimica et Biophysica Acta - Biomembranes, 1808(8), 1947-1956. https://doi.org/10.1016/j.bbamem.2011.04.006

Nielsen, M., Worgull, D., Zweifel, T., Gschwend, B., Bertelsen, S. & Jørgensen, K. A. (2011). Mechanisms in aminocatalysis. Chemical Communications, 47(2), 632-649. https://doi.org/10.1039/c0cc02417a

Pedersen, S. M., Samuelsson, A., Svensson, U., Rafter, J., Petterson, S., Nielsen, N. C., Bertram, H. C. & Malmendal, A. (2011). Metabonomic Effects of Strain and Delivering Method in Probiotic Fed Mice Induced with Mild Colitis. World Journal of Gastroenterology.

Kramer, S., Friis, S. D., Xin, Z., Odabachian, Y. & Skrydstrup, T. (2011). Metal-Free Halonium Mediated Acetate Shifts of Ynamides To Access α-Halo Acrylamides/Acrylimides. Organic Letters, 13(7), 1750-1753. https://doi.org/10.1021/ol200269h

Toftegaard, R., Arnbjerg, J., Cong, H., Agheli, H., Sutherland, D. S. & Ogilby, P. R. (2011). Metal nanoparticle- enhanced radiative transitions: giving singlet oxygen emission a boost. Pure and Applied Chemistry, 83, 885-898.

Jansang, B. & Skibsted, J. (2011). Modelling of guest-ion incorporation in alite and belite and the hydroxylation of their surfaces by periodic Density Functional Theory calculations. XIII International Congress on the Chemistry of Cement, 337.

Lie, M. A., Thomsen, R., Pedersen, C. N. S., Schiøtt, B. & Christensen, M. H. (2011). Molecular Docking with Ligand Attached Water Molecules. Journal of Chemical Information and Modeling, 51(4), 909-917. https://doi.org/10.1021/ci100510m

Dasgupta, T., Stiewe, C., Böttcher, L., Hassdorf, R., Yin, H., Iversen, B. B. & Mueller, E. (2011). Multiple phase formation and its influence on lattice thermal conductivity in β-Zn₄Sb₃. Journal of Materials Research, 26(15), 1925-1935. https://doi.org/10.1557/jmr.2011.116

Mi, J., Christensen, M., Nishibori, E. & Iversen, B. B. (2011). Multitemperature crystal structures and physical properties of the partially filled thermoelectric skutterudites M_0.1Co₄Sb₁₂(M=La,Ce,Nd,Sm,Yb,andEu). Physical Review B, 84, 064114-1 til 064114-12. https://doi.org/10.1103/PhysRevB.84.064114

Kastbjerg, S., Uvarov, C. A., Kauzlarich, S. M., Nishibori, E., Spackman, M. A. & Iversen, B. B. (2011). Multi-temperature Synchrotron Powder X-ray Diffraction Study and Hirshfeld Surface Analysis of Chemical Bonding in the Thermoelectric Zintl Phase Yb₁₄MnSb₁₁. Chemistry of Materials, 23(16), 3723-3730. https://doi.org/10.1021/cm201330x

Sonntag, Y., Musgaard, M., Olesen, C., Schiøtt, B., Møller, J. V., Nissen, P. & Thøgersen, L. (2011). Mutual adaptation of a membrane protein and its lipid bilayer during conformational changes. Nature Communications, 2, 304. https://doi.org/10.1038/ncomms1307

Bremholm, M., Dutton, S. E., Stephens, P. W. & Cava, R. J. (2011). NaIrO₃—A pentavalent post-perovskite. Journal of Solid State Chemistry, 184(3), 601-607. https://doi.org/10.1016/j.jssc.2011.01.028

Gosalawit-Utke, R., Nielsen, T. K., Saldan, I., Laipple, D., Cerenius, Y., Jensen, T. R., Klassen, T. & Dornheim, M. (2011). Nanoconfined 2LiBH₄–MgH₂ Prepared by Direct Melt Infiltration into Nanoporous Materials. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces, 115(21), 10903-10910. https://doi.org/10.1021/jp2021903

Nielsen, T. K., Besenbacher, F. & Jensen, T. R. (2011). Nanoconfined hydrides for energy storage. Nanoscale, 3(5), 2086-98. https://doi.org/10.1039/c0nr00725k

Pitt, M. P., Paskevicius, M., Webb, C. J., Sorby, M. H., Delleda, S., Jensen, T. R., Hauback, B. C., Buckley, C. E. & MacA. Gray, E. (2011). Nanoscopic Al₁−_xCe_x phases in the NaH + Al + 0.02CeCl₃ system. International Journal of Hydrogen Energy, 36, 8403-8411. https://doi.org/10.1016/j.ijhydene.2011.04.092

Johnsen, S., He, J., Androulakis, J., Dravid, V. P., Todorov, I., Chung, D. Y. & Kanatzidis, M. G. (2011). Nanostructures Boost the Thermoelectric Performance of PbS. Journal of the American Chemical Society, 133, 3460-3470. https://doi.org/10.1021/ja109138p

Burgett, A. W. G., Bjørnskov Poulsen, T., Wangkanont, K., Anderson, D. R., Kikuchi, C., Shimada, K., Okubo, S., Fortner, K. C., Mimaki, Y., Kuroda, M., Schirle, M., Murphy, J. P., Schwalb, D. J., Petrella, E. C., Cornella-Taracido, I., Tallarico, J. A. & Shair, M. D. (2011). Natural products reveal cancer cell dependence on oxysterol-binding proteins. Nature Chemical Biology, 7, 639-647. https://doi.org/10.1038/nchembio.625

Malmendal, A., Amoresano, C., Trotta, R., Lauri, I., De Tito, S., Novellino, E. & Randazzo, A. (2011). NMR spectrometers as "magnetic tongues": prediction of sensory descriptors in canned tomatoes. Journal of Agricultural and Food Chemistry, 59(20), 10831-8. https://doi.org/10.1021/jf203803q

Agger, C., Sørensen, S. T., Thomsen, C. L., Keiding, S. R. & Bang, O. (2011). Nonlinear soliton matching between optical fibers. Optics Letters, 36(13), 2596-2598. https://doi.org/10.1364/OL.36.002596

Bomholdt Ravnsbæk, D. & Jensen, T. R. (2011). Novel metal boroydrides: Studies of synthesis, crystal chemistry and thermal decomposition: Maxlab activity report 2010. MAX-lab Activity Report, 290.

Farjami, E., Clima, L., Gothelf, K. V. & Ferapontova, E. (2011). “Off−On” Electrochemical Hairpin-DNA-Based Genosensor for Cancer Diagnostics. Analytical Chemistry, 83(5), 1594-1602. https://doi.org/10.1021/ac1032929

Iruthayaraj, J., Chernyy, S., Lillethorup, M., Cecatto, M., Røn, T., Hinge, M., Kingshott, P., Besenbacher, F., Pedersen, S. U. & Daasbjerg, K. (2011). On surface-initiated atom transfer radical polymerization using diazonium chemistry to introduce the initiator layer. Langmuir, 27(3), 1070-8. https://doi.org/10.1021/la104125n

Kauczor, J., Jørgensen, P. & Norman, P. (2011). On the Efficiency of Algorithms for Solving Hartree–Fock and Kohn–Sham Response Equations. Journal of Chemical Theory and Computation, 7(6), 1610-1630. https://doi.org/10.1021/ct100729t

Worgull, D., Dickmeiss, G., Jensen, K. L., Franke, P. T., Holub, N. & Jørgensen, K. A. (2011). Optically active bicyclic N-heterocycles by organocatalytic asymmetric Michael addition/cyclization sequences. Chemistry - A European Journal, 17(15), 4076-80. https://doi.org/10.1002/chem.201100233

Wei, D., Akbey, U., Jensen, B. P., Oschkinat, H., Reif, B., Bjerring, M. & Nielsen, N. C. (2011). Optimal 2H rf pulses and 2H-13C cross-polarization methods for solid-state 2H MAS NMR of perdeuterated proteins. The Journal of Physical Chemistry Letters, 2(11), 1289-1294. https://doi.org/10.1021/jz200511b

Jacobsen, C. B., Jensen, K. L., Udmark, J. R. K. & Jørgensen, K. A. (2011). Organocatalytic iminium ion/carbene reaction cascade for the formation of optically active 2,4-disubstituted cyclopentenones. Organic Letters, 13(18), 4790-4793. https://doi.org/10.1021/ol2018104

Albrecht, L. K., Ransborg, L. K., Albrecht, A., Lykke, L. & Jørgensen, K. A. (2011). Organocatalytic Strategies for the Construction of Optically Active Imidazoles, Oxazoles and Thiazoles. Chemistry - A European Journal, 17(47), 13240-6. https://doi.org/10.1002/chem.201101817

Kristensen, K. & Glasius, M. (2011). Organosulfates and oxidation products from biogenic hydrocarbons in fine aerosols from a forest in North West Europe during spring. Atmospheric Environment, 45(27), 4546-4556. https://doi.org/10.1016/j.atmosenv.2011.05.063

Worton, D. R., Goldstein, A. H., Farmer, D. K., Docherty, K. S., Jimenez, J. L., Gilmann, J. B., Kuster, W. C., de Gouw, J., Williams, B. J., Kreisberg, N. M., Hering, S. V., Bench, G., McKay, M., Kristensen, K., Glasius, M., Surratt, J. D. & Seinfeld, J. H. (2011). Origins and composition of fine atmospheric carbonaceous aerosol in the Sierra Nevada Mountains, California. Atmospheric Chemistry and Physics, 11, 10219-10241. https://doi.org/10.5194/acp-11-10219-2011

Nielsen, D. U., Taaning, R. H., Lindhardt, A. T., Gøgsig, T. & Skrydstrup, T. (2011). Palladium-Catalyzed Approach to Primary Amides Using Nongaseous Precursors. Organic Letters, 13(16), 4454–4457. https://doi.org/10.1021/ol201808y

Bøjesen, E. D., Søndergaard, M., Christensen, M. & Iversen, B. B. (2011). Particle size effects on the thermal conductivity of ZnO. AIP Conference Proceedings, 1449. https://doi.org/10.1063/1.4731565

Heyndrickx, W., Salvador, P., Sola, M., Bultinck, P. & Gras, E. M. (2011). Performance of 3D-space-based atoms-in-molecules methods for electronic delocalization aromaticity indices. Journal of Computational Chemistry, 32(3), 386-395. https://doi.org/10.1002/jcc.21621

Holten-Andersen, N., Harrington, M. J., Birkedal, H., Lee, B. P., Messersmith, P. B., Lee, K. Y. C. & Waite, J. H. (2011). pH-induced metal-ligand cross-links inspired by mussel yield self-healing polymer networks with near-covalent elastic moduli. Proceedings of the National Academy of Sciences (PNAS), 108(7), 2651–2655. https://doi.org/10.1073/pnas.1015862108

Denofrio, M. P., Lorente, C., Breitenbach, T., Hatz, S., Cabrerizo, F. M., Thomas, A. H. & Ogilby, P. R. (2011). Photodynamic Effects of Pterin on HeLa Cells. Photochemistry and Photobiology, 87, 862-866.

Alves, M.-H., Jensen, B. E. B., Smith, A. A. A. & Zelikin, A. N. (2011). Poly(vinyl alcohol) physical hydrogels : New vista on a long serving biomaterial. Macromolecular Bioscience, 11, 1293-1313.

Jensen, B. E. B., Smith, A. A. A., Fejerskov, B., Postma, A., Senn, P., Reimhult, E., Pla-Roca, M., Isa, L., Sutherland, D. S., Stadler, B. & Zelikin, A. N. (2011). Poly(vinyl alcohol) Physical Hydrogels: Non-cryogenic Stabilization Allows Nano- and Micro-Scale Materials Design. Langmuir, 27(16), 10216–10223. https://doi.org/10.1021/la201595e

Filinchuk, Y., Richter, B., Jensen, T. R., Dmitriev, V., Chernyshov, D. & Hagemann, H. (2011). Porous and Dense Magnesium Borohydride Frameworks: Synthesis, Stability, and Reversible Absorption of Guest Species. Angewandte Chemie International Edition, 50(47), 11162-11166. https://doi.org/10.1002/anie.201100675

Zweifel, T., Nielsen, M., Overgaard, J., Jacobsen, C. B. & Jørgensen, K. A. (2011). Practical Synthesis of β-Carbonyl Phenyltetrazolesulfones and Investigations of Their Reactivities in Organocatalysis. European Journal of Organic Chemistry, 2011(1), 47-52. https://doi.org/10.1002/ejoc.201001426

Palmer, D. S. & Jensen, F. (2011). Predicting large-scale conformational changes in proteins using energy-weighted normal modes. Proteins: Structure, Function, and Bioinformatics, 79(10), 2778-93. https://doi.org/10.1002/prot.23105

Bremholm, M., Hor, Y. S. & Cava, R. J. (2011). Pressure stabilized Se–Se dimer formation in PbSe₂. Solid State Sciences, 13(1), 38-41. https://doi.org/10.1016/j.solidstatesciences.2010.10.003

Hu, J., Guo, Z., Glasius, M., Kristensen, K., Xiao, L. & Xu, X. (2011). Pressurized liquid extraction of ginger (Zingiber officinale Roscoe) with bioethanol: An efficient and sustainable approach. Journal of Chromatography A, 1218(34), 5765-5773. https://doi.org/10.1016/j.chroma.2011.06.088

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Department of Chemistry