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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Malmos, K. G., Stenvang, M., Sahin, C., Christiansen, G. & Otzen, D. E. (2017). The Changing Face of Aging: Highly Sulfated Glycosaminoglycans Induce Amyloid Formation in a Lattice Corneal Dystrophy Model Protein. Journal of Molecular Biology, 429(18), 2755-2764. https://doi.org/10.1016/j.jmb.2017.07.014
Kjærgaard, T., Baudin, P., Bykov, D., Kristensen, K. & Jørgensen, P. (2017). The divide–expand–consolidate coupled cluster scheme. Wiley Interdisciplinary Reviews: Computational Molecular Science, 7(6), Artikel e1319. https://doi.org/10.1002/wcms.1319
Kristensen, K., Jensen, L. N., Glasius, M. & Bilde, M. (2017). The effect of sub-zero temperature on the formation and composition of secondary organic aerosol from ozonolysis of alpha-pinene. Environmental Science: Processes and Impacts, 19(10), 1220-1234. https://doi.org/10.1039/c7em00231a
Bykov, D. & Kjaergaard, T. (2017). The GPU-enabled divide-expand-consolidate RI-MP2 method (DEC-RI-MP2). Journal of Computational Chemistry, 38(4), 228-237. https://doi.org/10.1002/jcc.24678
Liebscher, M., Bruhn, C., Siemeling, U., Baio, J., Lu, H. & Weidner, T. (2017). The Interaction of 1,1'-Diphosphaferrocenes with Gold: Molecular Coordination Chemistry and Adsorption on Solid Substrates. European Journal of Inorganic Chemistry, 2017(2), 351-359. https://doi.org/10.1002/ejic.201600892
Kjærgaard, T. (2017). The Laplace transformed divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation (DEC-LT-RIMP2) theory method. Journal of Chemical Physics, 146(4), Artikel 044103. https://doi.org/10.1063/1.4973710
Frank, M., Schmitz, G. A. & Hättig, C. (2017). The PNO–MP2 gradient and its application to molecular geometry optimisations. Molecular Physics, 115(3), 343-356. https://doi.org/10.1080/00268976.2016.1263762
Christiansen, S. H., Zhang, X., Juul-Madsen, K., Hvam, M. L., Vad, B. S., Behrens, M. A., Thygesen, I. L., Jalilian, B., Pedersen, J. S., Howard, K., Otzen, D. E. & Vorup-Jensen, T. (2017). The random co-polymer glatiramer acetate rapidly kills primary human leukocytes through sialic-acid-dependent cell membrane damage. Biochimica et Biophysica Acta - Biomembranes, 1859(3), 425-437. https://doi.org/10.1016/j.bbamem.2017.01.001
Yang, C., Vu Quang, H., Husum, D. M. U., Tingskov, S. J. H., Vinding, M. S., Nielsen, T., Song, P., Nielsen, N. C., Nørregaard, R. & Kjems, J. (2017). Theranostic poly(lactic-co-glycolic acid) nanoparticle for magnetic resonance/infrared fluorescence bimodal imaging and efficient siRNA delivery to macrophages and its evaluation in a kidney injury model. Nanomedicine: Nanotechnology, Biology and Medicine, 13(8), 2451–2462. https://doi.org/10.1016/j.nano.2017.08.007
Andersen, O. J., Risør, M. W., Poulsen, E. C., Nielsen, N. C., Miao, Y., Enghild, J. J. & Schiøtt, B. (2017). The reactive center loop insertion in α-1-antitrypsin captured by accelerated molecular dynamics simulation. Biochemistry, 56(4), 634-646. https://doi.org/10.1021/acs.biochem.6b00839
Cerretti, G., Schrade, M., Song, X., Balke, B., Lu, H., Weidner, T., Lieberwirth, I., Panthoefer, M., Norby, T. & Tremel, W. (2017). Thermal stability and enhanced thermoelectric properties of the tetragonal tungsten bronzes Nb8-xW9+xO47 (0 <x <5). Journal of Materials Chemistry A, 5(20), 9768-9774. https://doi.org/10.1039/c7ta01121k
Majzlan, J., Grevel, K. D., Kiefer, B., Nielsen, U. G., Grube, E., Dachs, E., Benisek, A., White, M. A. & Johnson, M. B. (2017). Thermodynamics and crystal chemistry of rhomboclase, (H5O2)Fe(SO4)2·2H2O, and the phase (H3O)Fe(SO4)2 and implications for acid mine drainage. American Mineralogist, 102(3), 643-654. https://doi.org/10.2138/am-2017-5909
Fletcher, H. R., Biller, P., Ross, A. B. & Adams, J. M. M. (2017). The seasonal variation of fucoidan within three species of brown macroalgae. Algal Research, 22, 79-86. https://doi.org/10.1016/j.algal.2016.10.015
Filsø, M., Chaaban, I., Al Shehabi, A., Skibsted, J. & Lock, N. (2017). The structure-directing amine changes everything: Structures and optical properties of two-dimensional thiostannates. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 73, 931-940. https://doi.org/10.1107/S2052520617010630
Lutz, H., Jaeger, V., Schmüser, L., Bonn, M., Pfaendtner, J. & Weidner, T. (2017). The Structure of the Diatom Silaffin Peptide R5 within Freestanding Two-Dimensional Biosilica Sheets. Angewandte Chemie International Edition, 56(28), 8277-8280. https://doi.org/10.1002/anie.201702707
Delgado-López, J. M., Bertolotti, F., Lyngsø, J., Pedersen, J. S., Cervellino, A., Masciocchi, N. & Guagliardi, A. (2017). The synergic role of collagen and citrate in stabilizing amorphous calcium phosphate precursors with platy morphology. Acta Biomaterialia, 49, 555-562. https://doi.org/10.1016/j.actbio.2016.11.041
Lu, H., Yimer, Y., Berger, R., Bonn, M., Pfaendtner, J. & Weidner, T. (2017). Thiolated Lysine-Leucine Peptides Self-Assemble into Biosilica Nucleation Pits on Gold Surfaces. Advanced Materials Interfaces, 4(16), 1700399, 1-7. Artikel 1700399. https://doi.org/10.1002/admi.201700399
Chatterley, A. S., Shepperson, B. & Stapelfeldt, H. (2017). Three-Dimensional Molecular Alignment Inside Helium Nanodroplets. Physical Review Letters, 119(7), Artikel 073202. https://doi.org/10.1103/PhysRevLett.119.073202
Malmos, K., Blancas-Mejia, L. M., Weber, B., Buchner, J., Ramirez-Alvarado, M., Naiki, H. & Otzen, D. (2017). ThT 101: a primer on the use of thioflavin T to investigate amyloid formation. Amyloid: the Journal of Protein Folding Disorders, 24(1), 1-16. https://doi.org/10.1080/13506129.2017.1304905
Jorgensen, J. E., Filinchuk, Y. & Dmitriev, V. (2017). Tilting of semi-rigid GaF6 octahedra in GaF3 at high pressures. Powder Diffraction, 32(S1), S69-S73. https://doi.org/10.1017/S0885715616000701
Meninno, S., Zullo, L., Overgaard, J. & Lattanzi, A. (2017). Tunable Cinchona-Based Thioureas-Catalysed Asymmetric Epoxidation to Synthetically Important Glycidic Ester Derivatives. Advanced Synthesis and Catalysis, 359(6), 913-918. https://doi.org/10.1002/adsc.201700146
Colombo, V., Lo Presti, L. & Gavezzotti, A. (2017). Two-component organic crystals without hydrogen bonding: structure and intermolecular interactions in bimolecular stacking. CrystEngComm, 19(17), 2413-2423. https://doi.org/10.1039/c7ce00311k
Zhao, K., Qui, P., Song, Q., Blichfeld, A. B., Eikeland, E. Z., Ren, D., Ge, B., Iversen, B. B., Shi, X. & Chen, L. (2017). Ultrahigh thermoelectric performance in Cu2−ySe0.5S0.5 liquid-like materials. Materials Today Physics, 1, 14-23. https://doi.org/10.1016/j.mtphys.2017.04.003
Yoshimura, Y., Oktaviani, N. A., Yonezawa, K., Kamikubo, H. & Mulder, F. A. A. (2017). Unambiguous Determination of Protein Arginine Ionization States in Solution by NMR Spectroscopy. Angewandte Chemie International Edition, 56(1), 239–242. https://doi.org/10.1002/anie.201609605
Frølich, S., Weaver, J. C., Dean, M. N. & Birkedal, H. (2017). Uncovering Nature's Design Strategies through Parametric Modeling, Multi-Material 3D Printing, and Mechanical Testing. Advanced Engineering Materials, 19(6), Artikel e201600848. https://doi.org/10.1002/adem.201600848
Villadsen, N. L., Jacobsen, K. M., Tørring, T. & Poulsen, T. (2017). Unikke naturstoffer dræber resistente cancerceller. Dansk Kemi, 98(3), 10-13. http://ipaper.ipapercms.dk/TechMedia/DanskKemi/2017/3/
Datzer, C., Zumbuelte, A., Braun, J., Foerster, T., Schmidt, A. B., Mi, J., Iversen, B. B., Hofmann, P., Minar, J., Ebert, H., Krueger, P., Rohlfing, M. & Donath, M. (2017). Unraveling the spin structure of unoccupied states in Bi2Se3. Physical Review B, 95(11), Artikel 115401. https://doi.org/10.1103/PhysRevB.95.115401
Britz, D. H., Strutwolf, J. & Østerby, O. (2017). Use of the Saul’yev method for the digital simulation of chronoamperometry and linear sweep voltammetry at the ultramicrodisk electrode. Electrochimica Acta, 258, 17-23. https://doi.org/10.1016/j.electacta.2017.10.089
Jensen, F. (2017). Using valence bond methods to estimate intramolecular basis set superposition errors. Journal of Chemical Physics, 146(18), Artikel 184109. https://doi.org/10.1063/1.4983229
Nielsen, D. B., Wahlqvist, B., Nielsen, D. U., Daasbjerg, K. & Skrydstrup, T. (2017). Utilizing Glycerol as an Ex Situ CO-source in Pd-Catalyzed Alkoxycarbonylation of Styrenes. ACS Catalysis, 7(9), 6089–6093. https://doi.org/10.1021/acscatal.7b02179
Hathwar, V. R., Stingaciu, M., Richter, B., Overgaard, J. & Iversen, B. B. (2017). Variable-temperature structural studies on valence tautomerism in cobalt bis(dioxolene) molecular complexes. Acta Crystallographica Section B: Structural Science, 73(Pt 2), 304-312. https://doi.org/10.1107/S2052520616019235
Rasmussen, B. B., Nguyen, Q. T., Kristensen, K., Nielsen, L. S. & Bilde, M. (2017). What controls volatility of sea spray aerosol? Results from laboratory studies using artificial and real seawater samples. Journal of Aerosol Science, 107, 134-141. https://doi.org/10.1016/j.jaerosci.2017.02.002
Marqvorsen, M. H. S., Pedersen, M. J., Rasmussen, M. R., Kristensen, S. K., Dahl-Lassen, R. & Jensen, H. H. (2017). Why Is Direct Glycosylation with N-Acetylglucosamine Donors Such a Poor Reaction and What Can Be Done about It? Journal of Organic Chemistry, 82(1), 143-156. https://doi.org/10.1021/acs.joc.6b02305
Álvarez-Martos, I., Shahdost-fard, F. & Ferapontova, E. (2017). Wiring of heme enzymes by methylene-blue labeled dendrimers. Electrochimica Acta, 249, 206-215. https://doi.org/10.1016/j.electacta.2017.07.161
Coriani, S., Cazzoli, G., Lattanzi, V., Gauss, J., Codella, C., Asensio Ramos, A., Cernicharo, J. & Puzzarini, C. (2017). Zeeman effect in sulfur monoxide: a tool to probe magnetic fields in star forming regions. Astronomy & Astrophysics (A&A), 605, Artikel A20. https://doi.org/10.1051/0004-6361/201730858
Utke, R., Thiangviriya, S., Javadian, P., Jensen, T. R., Milanese, C., Klassen, T. & Dornheim, M. (2016). 2LiBH(4)-MgH2 nanoconfined into carbon aerogel scaffold impregnated with ZrCl4 for reversible hydrogen storage. Materials Chemistry and Physics, 169, 136-141. https://doi.org/10.1016/j.matchemphys.2015.11.040
Christodoulou, M. S., Zarate, M., Ricci, F., Damia, G., Pieraccini, S., Dapiaggi, F., Sironi, M., Lo Presti, L., García-Argáez, A. N., Dalla Via, L. & Passarella, D. (2016). 4-(1,2-diarylbut-1-en-1-yl)isobutyranilide derivatives as inhibitors of topoisomerase II. European Journal of Medicinal Chemistry, 118, 79-89. https://doi.org/10.1016/j.ejmech.2016.03.090
Xue, M., Kitahara, R., Yoshimura, Y. & Mulder, F. A. A. (2016). Aberrant increase of NMR signal in hydrogen exchange experiments. Observation and explanation. Biochemical and Biophysical Research Communications, 478(3), 1185-1188. https://doi.org/10.1016/j.bbrc.2016.08.092
Eich, A., Rollfing, N., Arnold, F., Sanders, C., Ewen, P. R., Bianchi, M., Dendzik, M., Michiardi, M., Mi, J.-L., Bremholm, M., Wegner, D., Hofmann, P. & Khajetoorians, A. A. (2016). Absence of superconductivity in ultrathin layers of FeSe synthesized on a topological insulator. Physical Review B, 94(12), 125437. Artikel 125437. https://doi.org/10.1103/PhysRevB.94.125437
Lai, F., Du, J. J., Williams, P. A., Váradi, L., Baker, D., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2016). A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam. Physical Chemistry Chemical Physics, 18(41), 28802-28818. https://doi.org/10.1039/c6cp02690g
Yu, W., Hjerrild, P., Overgaard, J. & Poulsen, T. (2016). A Concise Route to the Strongylophorines. Angewandte Chemie, 55(29), 8294-8298. https://doi.org/10.1002/anie.201602476
Malinauskaite, L., Said, S., Sahin, C., Grouleff, J., Shahsavar, A., Bjerregaard, H., Noer, P. R., Severinsen, K., Boesen, T., Schiøtt, B., Sinning, S. & Nissen, P. (2016). A Conserved Leucine Occupies the Empty Substrate Site of LeuT in the Na+-free Return State. Nature Communications, 7(1), Artikel 11673. https://doi.org/10.1038/ncomms11673, https://doi.org/10.1038/ncomms11673
Aznauryan, M., Søndergaard, S., Noer, S. L., Schiøtt, B. & Birkedal, V. (2016). A direct view of the complex multi-pathway folding of telomeric G-quadruplexes. Nucleic Acids Research, 44(22), 11024-11032. https://doi.org/10.1093/nar/gkw1010
Smith, A. A. A., Zuwala, K., Pilgram, O., Johansen, K. S. E., Tolstrup, M., Dagnæs-Hansen, F. & Zelikin, A. N. (2016). Albumin–Polymer–Drug Conjugates: Long Circulating, High Payload Drug Delivery Vehicles. ACS Macro Letters, 5(10), 1089-1094. https://doi.org/10.1021/acsmacrolett.6b00544
Riehl, L., Seyboldt, A., Ströbele, M., Enseling, D., Jüstel, T., Westberg, M., Ogilby, P. R. & Meyer, H. .-J. (2016). A ligand substituted tungsten iodide cluster: luminescence vs. singlet oxygen production. Dalton Transactions, 45(39), 15500-15506. https://doi.org/10.1039/C6DT02471H
Johansen, R. R., Bay, K. G., Christensen, L., Thøgersen, J., Dimitrovski, D., Madsen, L. B. & Stapelfeldt, H. (2016). Alignment-dependent strong-field ionization yields of carbonyl sulfide molecules induced by mid-infrared laser pulses. Journal of Physics B: Atomic, Molecular and Optical Physics, 49(20), Artikel 205601. https://doi.org/10.1088/0953-4075/49/20/205601
Ansari, S. M., Coletta, A., Skeby, K. K., Sørensen, J., Schiøtt, B. & Palmer, D. S. (2016). Allosteric-Activation Mechanism of Bovine Chymosin Revealed by Bias-Exchange Metadynamics and Molecular Dynamics Simulations. Journal of Physical Chemistry B, 120(40), 10453-10462. https://doi.org/10.1021/acs.jpcb.6b07491
Stalder, R., Puniredd, S. R., Hansen, M. R., Koldemir, U., Grand, C., Zajaczkowski, W., Müllen, K., Pisula, W. & Reynolds, J. R. (2016). Ambipolar Charge Transport in Isoindigo-Based Donor-Acceptor Polymers. Chemistry of Materials, 28(5), 1286-1297. https://doi.org/10.1021/acs.chemmater.5b03968
Langley, G. W., Brinkø, A., Münzel, M., Walport, L. J., Schofield, C. J. & Hopkinson, R. J. (2016). Analysis of JmjC Demethylase-Catalyzed Demethylation Using Geometrically-Constrained Lysine Analogues. A C S Chemical Biology, 11(3), 755-762. https://doi.org/10.1021/acschembio.5b00738
Du, J. J., Váradi, L., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2016). An analysis of the experimental and theoretical charge density distributions of the piroxicam–saccharin co-crystal and its constituents. RSC Advances, 6(85), 81578-81590. https://doi.org/10.1039/C6RA10411H

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Institut for Kemi