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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Kvaal, S., Fredheim, H. R., Højlund, M. G. & Pedersen, T. B. (2025). Time-dependent Bivariational Principle: Theoretical Foundation for Real-Time Propagation Methods of Coupled-Cluster Type. Journal of Physical Chemistry A, 129(15), 3508-3521. https://doi.org/10.1021/acs.jpca.4c07417
Graae, K. V., Li, X., Sørensen, D. R., Ayerbe, E., Boyano, I., Sheptyakov, D., Jørgensen, M. R. V. & Norby, P. (2023). Time and space resolved operando synchrotron X-ray and Neutron diffraction study of NMC811/Si–Gr 5 Ah pouch cells. Journal of Power Sources, 570, Artikel 232993. https://doi.org/10.1016/j.jpowsour.2023.232993
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
Thrane, L., Jacobsen, R. H., Uhd Jepsen, P. & Keiding, S. R. (1995). THz reflection spectroscopy of liquid water. Chemical Physics Letters, 240(4), 330-333. https://doi.org/10.1016/0009-2614(95)00543-D
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
Valnickova, Z., Thøgersen, I., Potempa, J. & Enghild, J. J. (2007). Thrombin-activable fibrinolysis inhibitor (TAFI) zymogen is an active carboxypeptidase. Journal of Biological Chemistry, 282(2), 1072-9.
Lin, J., Griffin, R. G., Nielsen, N. C. & Khaneja, N. (2016). Three pulse recoupling and phase jump matching. Journal of Magnetic Resonance, 263, 172-183. https://doi.org/10.1016/j.jmr.2015.11.012
Hazell, A. C., Mønsted, O., Rasmussen, J. C. & Toftlund, H. (2008). Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands. Acta Crystallographica Section C: Crystal Structure Communications, 64, 185-189.
Clausen, H. F., Chevallier, M.-A. S., Spackman, M. & Iversen, B. B. (2010). Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions. New Journal of Chemistry. https://doi.org/10.1039/b9nj00463g
Pickering, J. D., Amini, K., Brouard, M., Burt, M., Bush, I. J., Christensen, L., Lauer, A., Nielsen, J. H., Slater, C. S. & Stapelfeldt, H. (2016). Three-fold covariance imaging of laser-induced Coulomb explosions: Communication. Journal of Chemical Physics, 144(16), Artikel 161105. https://doi.org/10.1063/1.4947551
Yu, J., Sondergaard-Pedersen, F., Mamakhel, A., Lamagni, P. & Iversen, B. B. (2019). Three-dimensional morphology of anatase nanocrystals obtained from supercritical flow synthesis with industrial grade TiOSO4 precursor. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 75, 1086-1095. https://doi.org/10.1107/S2052520619012733
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
Lindballe, T. B., Kristensen, M. V., Kylling, A. P., Palima, D. Z., Glückstad, J., Keiding, S. R. & Stapelfeldt, H. (2011). Three-dimensional imaging and force characterization of multiple trapped particles in low NA counterpropagating optical traps. Journal of the European Optical Society - Rapid Publications, 6, 11057. https://doi.org/10.2971/jeos.2011.11057
Poulsen, L., Jazdzyk, M., Communal, J.-E., Sancho-Garcia, J. C., Mura, A., Bongiovanni, G., Beljonne, D., Cornil, J., Hanack, M., Egelhaaf, H.-J. & Gierschner, J. (2007). Three-Dimensional Energy Transport in Highly Luminescent Host-Guest Crystals: A Quantitative Experimental and Theoretical Study. Journal of the American Chemical Society, 129(27), 8585-8593. https://doi.org/10.1021/ja0714437
Leemreize, H., Almer, J. D., Stock, S. R. & Birkedal, H. (2013). Three-dimensional distribution of polymorphs and magnesium in a calcified underwater attachment system by diffraction tomography. Journal of the Royal Society. Interface, 10(86), Artikel 20130319. https://doi.org/10.1098/rsif.2013.0319
Jockusch, S., Kazancioglu, E. O., Karaca, N., Arsu, N., Landgraf, S. & Ogilby, P. R. (2024). Thioxanthone Dioxide Triplet States Have Low Oxygen Quenching Rate Constants. Journal of Physical Chemistry B, 128(1), 244-249. https://doi.org/10.1021/acs.jpcb.3c06077
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
Kumar, J., Bousquet, A. & Stenzel, M. H. (2011). Thiol-alkyne chemistry for the preparation of micelles with glycopolymer corona: Dendritic surfaces versus linear glycopolymer in their ability to bind to lectins. Macromolecular Rapid Communications, 32(20), 1620-1626. https://doi.org/10.1002/marc.201100331
Dey, S., Schönleber, A., Mondal, S., Prathapa, S. J., van Smaalen, S. & Larsen, F. K. (2016). The Z' = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C-H...O hydrogen bonds. Acta Crystallographica Section B: Structural Science, 72(3), 372-380. https://doi.org/10.1107/S2052520616005503
Hegelund, F., Wugt Larsen, R. & Palmer, M. H. (2007). The vibrational spectrum of thiazole between 600 and 1400 cm-1 revisited: A combined high-resolution infrared and theoretical study. Journal of Molecular Spectroscopy, 244, 63-78.
Gras, E. M., Barroso, J. M., Besalu, E., Christiansen, O. & Luis, J. M. (2009). The vibrational auto-adjusting perturbation theory. Theoretical Chemistry Accounts, 123(1-2), 41-49.
Coppens, P., Iversen, B. & Larsen, F. K. (2004). The use of synchrotron radiation in X-ray charge density analysis of coordination complexes. Coordination Chemistry Reviews, 249, 179-195.
Yesiltas, B., Garcia-Moreno, P. J., Sørensen, A.-D. M., Banerjee, C., Anankanbil, S., Guo, Z., Ogilby, P. R. & Jacobsen, C. (2023). The Use of Soy and Egg Phosphatidylcholines Modified with Caffeic Acid Enhances the Oxidative Stability of High-Fat (70%) Fish Oil-in-Water Emulsions. Colloids and Interfaces , 7(3), Artikel 60. https://doi.org/10.3390/colloids7030060
Pedersen, J. N., Pedersen, J. S. & Otzen, D. E. (2015). The Use of Liprotides To Stabilize and Transport Hydrophobic Molecules. Biochemistry, 54(31), 4815-4823. https://doi.org/10.1021/acs.biochem.5b00547
Christensen, P. V., Hinge, M. & Keiding, J. K. (2009). The use of dielectrical spectroscopy in the investigation of the effect of polymer choice. Journal of Colloid and Interface Science, 133(1), 113-121.
Britz, D. (1984). The use of a computer in the corrosion laboratory. I Computer Aided Acquisition and Analysis of Corrosion Data. Proceedings, the Electrochemical Society (3 udg., Bind 85, s. 13-22).
Falsig, H., Gross, A., Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2006). The uptake of phenol on aerosol particles. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 110, 660-670.
Karolchik, D., Kuhn, R. M., Baertsch, R., Barber, G. P., Clawson, H., Diekhans, M., Giardine, B., Harte, R. A., Hinrichs, A. S., Hsu, F., Kober, K. M., Miller, W., Pedersen, J. S., Pohl, A., Raney, B. J., Rhead, B., Rosenbloom, K. R., Smith, K. E., Stanke, M. ... Pedersen, J. S. (2008). The UCSC Genome Browser Database: 2008 update. Nucleic Acids Research, 36(Database issue), D773-9. https://doi.org/10.1093/nar/gkm966
Hinrichs, A. S., Karolchik, D., Baertsch, R., Barber, G. P., Bejerano, G., Clawson, H., Diekhans, M., Furey, T. S., Harte, R. A., Hsu, F., Hillman-Jackson, J., Kuhn, R. M., Pedersen, J. S., Pohl, A., Raney, B. J., Rosenbloom, K. R., Siepel, A., Smith, K. E., Sugnet, C. W. ... Pedersen, J. S. (2006). The UCSC Genome Browser Database: update 2006. Nucleic Acids Research, 34(Database issue), D590-8. https://doi.org/10.1093/nar/gkj144
Kuhn, R. M., Karolchik, D., Zweig, A. S., Trumbower, H., Thomas, D. J., Thakkapallayil, A., Sugnet, C. W., Stanke, M., Smith, K. E., Siepel, A., Rosenbloom, K. R., Rhead, B., Raney, B. J., Pohl, A., Pedersen, J. S., Hsu, F., Hinrichs, A. S., Harte, R. A., Diekhans, M. ... Pedersen, J. S. (2007). The UCSC genome browser database: update 2007. Nucleic Acids Research, 35(Database issue), D668-73. https://doi.org/10.1093/nar/gkl928
Koldsø, H., Severinsen, K., Tran, TT., Celik, L., Jensen, H. H., Wiborg, O., Schiøtt, B. & Sinning, S. (2010). The two enantiomers of citalopram bind to the human serotonin transporterin reverse orientations. Journal of American Chemical Society, 132(4), 1311-22.
Koldsø, H., Severinsen, K., Tran, T. T., Celik, L., Jensen, H. H., Wiborg, O., Schiøtt, B. & Sinning, S. (2010). The two enantiomers of citalopram bind to the human serotonin transporter in reversed orientations. Journal of the American Chemical Society, 132(4), 1311-22. https://doi.org/10.1021/ja906923j
Foskolou, I. P., Cunha, P. P., Sánchez-López, E., Minogue, E. A., Nicolet, B. P., Guislain, A., Jorgensen, C., Kostidis, S., Zandhuis, N. D., Barbieri, L., Bargiela, D., Nathanael, D., Tyrakis, P. A., Palazon, A., Giera, M., Wolkers, M. C. & Johnson, R. S. (2023). The two enantiomers of 2-hydroxyglutarate differentially regulate cytotoxic T cell function. Cell Reports, 42(9), Artikel 113013. https://doi.org/10.1016/j.celrep.2023.113013
Dueholm, M. S., Larsen, P., Finster, K., Stenvang, M. R., Christiansen, G., Vad, B. S., Bøggild, A., Otzen, D. E. & Halkjær Nielsen, P. (2015). The Tubular Sheaths Encasing Methanosaeta thermophila Filaments are Functional Amyloids. Journal of Biological Chemistry, 290, 20590-26600. https://doi.org/10.1074/jbc.M115.654780
Sanggaard, K. W., Scavenius, C., Rasmussen, A. J., Wisniewski, H.-G., Thøgersen, I. & Enghild, J. J. (2010). The TSG-6/HC2-mediated transfer is a dynamic process shuffling heavy chains between glycosaminoglycans. Journal of Biological Chemistry, 285(29), 21988-93. https://doi.org/10.1074/jbc.M109.041046
Sanggaard, K. W., Karring, H., Valnickova, Z., Thøgersen, I. B. & Enghild, J. J. (2005). The TSG-6 and IαI Interaction Promotes a Transesterification Cleaving the Protein-Glycosaminoglycan-Protein (PGP) Cross-link. Journal of Biological Chemistry, 280, 11936-11942. https://doi.org/10.1074/jbc.M409016200
Thøgersen, L., Olsen, J., Yeager, D., Jørgensen, P., Salek, P. & Helgaker, T. (2004). The trust-region self-consistent field method: Towards a black-box optimization in Hartree-Fock and Kohn-Sham theories. Journal of Chemical Physics, 121, 16-27.
Thøgersen, L., Olsen, J., Köhn, A., Jørgensen, P., Salek, P. & Helgaker, T. (2005). The trust-region self-consistent field method in Kohn-Sham density-functional theory. Journal of Chemical Physics, 123, 074103-1-17.
Britz, D. (2011). The true history of adaptive grids in electrochemical simulation. Electrochimica Acta, 56(11), 4420-4421.
Sanggaard, K. W., Sonne-Schmidt, C. S., Hansen, T. P. K., Lorentzen, K. A., Wisniewski, H.-G., Thøgersen, I. B. & Enghild, J. J. (2008). The transfer of heavy chains from bikunin proteins to hyaluronan requires both TSG-6 and HC2. Journal of Biological Chemistry, 283(27), 18530-18537. https://doi.org/10.1074/jbc.M800874200
Jacobsen, M. F., Moses, J. E., Adlington, R. M. & Baldwin, J. E. (2005). The Total Synthesis of Spectinabilin and Its Biomimetic Conversion to SNF4435C and SNF4435D. Org. Lett., 7(12), 641-644.
Nielsen, N. C. & Sørensen, O. W. (1996). The Tolerance to J Mismatch and the Symmetry Properties of INADEQUATE CR. Journal of Magnetic Resonance, 123, 135-139.
Pedersen, M. Ø., Underhaug, J., Dittmer, J., Miller, M. & Nielsen, N. C. (2008). The three-dimensional structure of CsmA: A small antenna protein from the green sulfur bacterium Chlorobium tepidum. FEBS Letters, 582(19), 2869-2874. https://doi.org/10.1016/j.febslet.2008.07.020
Rønne, C., Nymand, T. & Keiding, S. R. (2001). The temperature dependent dielectric function of liquid benzene. Interpretation of THz spectroscopy data by molecular dynamics simulation. Journal of Chemical Physics, 114, 5246-5255.
Gunnlaugsson, H. P., Akinlade, O., Gross, M. A., Jensen, S. K., Lange, C. F., Leer, K., Lemmon, M. T., Lyckegaard, F., Madsen, M. B., Merrison, J. P., Nørnberg, P., Olsen, M., Shinohara, C. & Smith, P. (2006). The Telltale Wind Experiment for the NASA Phoenix Mars Lander 2007. I Geophysical Research Abstracts (Bind 8, s. 6064-6065)
Gunnlaugsson, H. P., Jensen, S. K., Leer, K., Madsen, M. B., Merrison, J. P., Nørnberg, P., Olsen, M. & Smith, P. I. (2007). The Telltale wind experiment for the NASA Phoenix Mars Lander 2007. Geophysical Research Abstracts, (06064).
Casares, L., Moreno, R., Ali, K. X., Higgins, M., Dayalan Naidu, S., Neill, G., Cassin, L., Kiib, A. E., Svenningsen, E. B., Minassi, A., Honda, T., Poulsen, T. B., Wiel, C., Sayin, V. I., Dinkova-Kostova, A. T., Olagnier, D. & de la Vega, L. (2022). The synthetic triterpenoids CDDO-TFEA and CDDO-Me, but not CDDO, promote nuclear exclusion of BACH1 impairing its activity. Redox Biology, 51, Artikel 102291. https://doi.org/10.1016/j.redox.2022.102291
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
Gerstenberg, M. C. & Pedersen, J. S. (2001). The Surface-Induced Ordering of Triblock Copolymer Micelles at the Solid-Liquid Interface. 2. Modeling. Langmuir, 17(22), 7040-7046.
Petersen, S. V., Valnickova, Z., Oury, T. D., Crapo, J. D., Nielsen, N. C. & Enghild, J. J. (2007). The Subunit Composition of Human Extracellylar Superoxide Dismutate (EC-SOD) Regulate Enzymatic Activity. BMC Biochemistry, 8, 19.

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Institut for Kemi