Publikationer

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Publikationer fra Institut for Kemi

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Jensen, H. H., Nordstrøm, L. U. & Bols, M. (2004). The disarming effect of the 4,6-acetal group on glycoside reactivity. Torsional or electronic ? Journal of the American Chemical Society, 126(30), 9205-9213.

Bregnhøj, M., Lutz, H., Roeters, S. J., Lieberwirth, I., Mertig, R. & Weidner, T. (2022). The Diatom Peptide R5 Fabricates Two-Dimensional Titanium Dioxide Nanosheets. The Journal of Physical Chemistry Letters, 13(22), 5025-5029. https://doi.org/10.1021/acs.jpclett.2c01088

Jensen, K. L., Dickmeiss, G., Jiang, H., Albrecht, L. & Jørgensen, K. A. (2012). The Diarylprolinol Silyl Ether System: A General Organocatalyst. Accounts of Chemical Research, 45(2), 248-264.

Donslund, B., Johansen, T. K., Poulsen, P. H., Halskov, K. S. & Jørgensen, K. A. (2015). The Diarylprolinol-Silyl Ethers – 10 Years After. Angewandte Chemie International Edition, 54(47), 13860-13874. https://doi.org/10.1002/anie.201503920

Marcantonio, E., Bitsch, R. S. & Jørgensen, K. A. (2026). The Diarylprolinol Silyl Ethers: After 20 Years Still Opening New Doors in Asymmetric Catalysis. Angewandte Chemie - International Edition, 65(11), Artikel e26146. https://doi.org/10.1002/anie.202526146

Friis, S. D., Lindhardt, A. T. & Skrydstrup, T. (2016). The Development and Application of Two-Chamber Reactors and Carbon Monoxide Precursors for Safe Carbonylation Reactions. Accounts of Chemical Research, 49(4), 594-605. https://doi.org/10.1021/acs.accounts.5b00471

Drits, V. A., Lindgreen, H., Sakharov, B. A., Jakobsen, H. J. & Zviagina, B. B. (2004). The detailed structure and origin of clay minerals at the Cretaceous/Tertiary boundary, Stevns Klint (Denmark). Clay Minerals, 39, 367-390.

Straasø, T., Becker-Christensen, J., Iversen, B. B. & Als-Nielsen, J. (2013). The Debye–Scherrer camera at synchrotron sources: a revisit. Journal of Synchrotron Radiation, 20, 98-104. https://doi.org/10.1107/S0909049512039441

Birch, T., Horsnæs, H., Andreasen, R., Feveile, C., Merkel, S., Kershaw, J., Sarah, G., Naismith, R. & Moesgaard, J. C. (2026). The Damhus Hoard: New Insights Into Some of the Earliest Viking Silver Coinage. Archaeometry, 68(S4), S71-S85. https://doi.org/10.1111/arcm.70168

Aidas, K., Angeli, C., Bak, K. L., Bakken, V., Bast, R., Boman, L., Christiansen, O., Cimiraglia, R., Coriani, S., Dahle, P., Dalskov, E. K., Ekström, U., Enevoldsen, T., Eriksen, J. J., Ettenhuber, P., Fernández, B., Ferrighi, L., Fliegl, H., Frediani, L. ... Ågren, H. (2014). The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews: Computational Molecular Science, 4(3), 269–284. https://doi.org/10.1002/wcms.1172

Farzadfard, A., Pedersen, J. N., Meisl, G., Somavarapu, A. K., Alam, P., Goksøyr, L., Nielsen, M. A., Sander, A. F., Knowles, T. P. J., Pedersen, J. S. & Otzen, D. E. (2022). The C-terminal tail of α-synuclein protects against aggregate replication but is critical for oligomerization. Communications Biology, 5(1), 123. Artikel 123. https://doi.org/10.1038/s42003-022-03059-8

Troeberg, L., Fushimi, K., Scilabra, S. D., Nakamura, H., Dive, V., Thøgersen, I. B., Enghild, J. J. & Nagase, H. (2009). The C-terminal domains of ADAMTS-4 and ADAMTS-5 promote association with N-TIMP-3. Matrix Biology, 28(8), 463-9. https://doi.org/10.1016/j.matbio.2009.07.005

Anand, K., Pallares, I., Valnickova, Z., Christensen, T., Vendrell, J., Wendt, K. U., Schreuder, H. A., Enghild, J. J. & Avilés, F. X. (2008). The crystal structure of TAFI provides the structural basis for its intrinsic activity and the short half-life of TAFIa. Journal of Biological Chemistry. https://doi.org/10.1074/jbc.M804003200

Stöger, B., Weil, M. & Skibsted, J. (2013). The crystal structure of BaPO₃ revisited - a combined X-ray diffraction and solid-state ¹⁹F, ³¹P MAS NMR study. Dalton Transactions , 42(32), 11672-11682. https://doi.org/10.1039/C3DT50373A

Stöger, B., Weil, M. & Skibsted, J. (2013). The crystal structure of BaPO3F revisited - a combined X-ray diffraction and solid-state F-19, P-31 MAS NMR study. Dalton Transactions , 42, 11672-11582. https://doi.org/10.1039/c3dt50373a

Svenningsen, E. B., Ottosen, R. N., Jørgensen, K. H., Nisavic, M., Larsen, C. K., Hansen, B. K., Wang, Y., Lindorff-Larsen, K., Tørring, T., Hacker, S. M., Palmfeldt, J. & Poulsen, T. B. (2022). The covalent reactivity of functionalized 5-hydroxy-butyrolactams is the basis for targeting of fatty acid binding protein 5 (FABP5) by the neurotrophic agent MT-21. RSC Chemical Biology, 3(10), 1216-1229. https://doi.org/10.1039/d2cb00161f

Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2003). The coupled cluster/molecular mechanics method: Implementation and application to liquid water. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 107, 2578-2588.

Rizzo, A., Kallay, M., Gauss, J., Pawlowski, F., Jørgensen, P. & Hättig, C. (2004). The Cotton-Mouton effect on neon and argon: A benchmark study using highly correlated coupled cluster wave functions. Journal of Chemical Physics, 121(19), 9461-9473.

Chakrabarty, S., Poddar, R. K., Poulsen, R. D., Thompson, A. L. & Howard, J. A. K. (2004). The copper(II)complexes di-μ-bromo-bis{[2,6-bis(pyrazol-1-yl)pyridine]per-chloratocopper(II)} and [2,6-bis(pyra-zol-1-yl)pyridine]dibromocopper(II). Acta Crystallogr. C., C60.

Dass, R., Corlianò, E. & Mulder, F. A. A. (2021). The contribution of electrostatics to hydrogen exchange in the unfolded protein state. Biophysical Journal, 120(18), 4107-4114. https://doi.org/10.1016/j.bpj.2021.08.003

Baranowska, A., Fernandez, B., Rizzo, A. & Jansik, B. (2009). The CO-Ne van der Waals complex: an initio intermolecular potential energy, interaction induced electric dipole moment and polarrizability surfaces, and second virial coefficients. Physical Chemistry Chemical Physics, 11(42), 9871-9883.

Petersen, S. V., Thøgersen, I., Valnickova, Z., Nielsen, M. S., Petersen, J. S., Poulsen, E. T., Jacobsen, C., Oury, T. D., Moestrup, S. K., Crapo, J. D., Nielsen, N. C., Kristensen, T. & Enghild, J. J. (2010). The concentration of extracellular superoxide dismutase in plasma is maintained by LRP-mediated endocytosis. Free Radical Biology & Medicine, 49(5), 894-9. https://doi.org/10.1016/j.freeradbiomed.2010.06.019

Jørgensen, J.-E., Marshall, W. G. & Smith, R. I. (2004). The compression mechanism of CrF₃. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 60, 669-673.

Thorning, F., Strunge, K., Jensen, F. & Ogilby, P. R. (2021). The complex between molecular oxygen and an organic molecule: modeling optical transitions to the intermolecular charge-transfer state. Physical Chemistry Chemical Physics, 23(28), 15038-15048. https://doi.org/10.1039/D1CP01738A

Nielsen, U. G., Topsøe, N.-Y., Brorson, M., Skibsted, J. & Jakobsen, H. J. (2004). The Complete ⁵¹V MAS NMR Spectrum of Surface Vanadia Nanoparticles on Anatase (TiO₂): Vanadia Surface Structure of a DeNO_x Catalysts. Journal of the American Chemical Society, 126(15), 4926-4933.

Scavenius, C., Nikolajsen, C. L., Stenvang, M., Thøgersen, I., Wyrozemski, L., Wisniewski, H.-G., Otzen, D. E., Sanggaard, K. W. & Enghild, J. J. (2016). The compact and biologically relevant structure of inter-α-inhibitor is maintained by the chondroitin sulfate chain and divalent cations. Journal of Biological Chemistry, 291(9), 4658-4670. https://doi.org/10.1074/jbc.M115.678748

Poulsen, T. D., Kongsted, J., Osted, A., Ogilby, P. R. & Mikkelsen, K. V. (2001). The Combined Multiconfigurational Self-Consistent-Field/Molecular Mechanics Wave Function Approach. Journal of Chemical Physics, 115, 2393-2400.

Bøjesen, E. D., Jensen, K. M. Ø., Tyrsted, C., Mamakhel, M. A. H., Andersen, H. L., Reardon, H., Chevallier, J., Dippel, A.-C. & Iversen, B. B. (2016). The chemistry of ZnWO₄ nanoparticle formation. Chemical Science, 7(10), 6394-6406. https://doi.org/10.1039/C6SC01580H

Kaila, V. R. I., Johansson, M. P., Sundholm, D., Laakkonen, L. & Wikström, M. (2009). The chemistry of the Cu_B site in cytochrome c oxidase and the importance of its unique His–Tyr bond. Biochimica et biophysica acta. Bioenergeticss, 1787, 221-233. https://doi.org/10.1016/j.bbabio.2009.01.002

Andersen, H. L., Granados-Miralles, C., Jensen, K. M. Ø., Saura-Múzquiz, M. & Christensen, M. (2024). The Chemistry of Spinel Ferrite Nanoparticle Nucleation, Crystallization, and Growth. ACS Nano, 18(14), 9852-9870. https://doi.org/10.1021/acsnano.3c08772

Xu, H., Sommer, S., Broge, N. L. N., Gao, J. & Iversen, B. B. (2019). The Chemistry of Nucleation: In Situ Pair Distribution Function Analysis of Secondary Building Units During UiO-66 MOF Formation. Chemistry - A European Journal, 25(8), 2051-2058. https://doi.org/10.1002/chem.201805024

Bøjesen, E. D. & Iversen, B. B. (2016). The chemistry of nucleation. CrystEngComm, 18(43), 8332-8353. https://doi.org/10.1039/c6ce01489e

Vibe, P. A. S., Garde, E., Bondesgaard, M., Pedersen, C., Heide-Jøergensen, M. P. & Birkedal, H. (2026). The chemical composition of narwhal tusk and tooth is impacted by geographical locality. Journal of the Royal Society Interface, 23(241), 1-12. Artikel 20260027. https://doi.org/10.1098/rsif.2026.0027

Birkedal, H., Madsen, D., Mathiesen, R. H., Knudsen, K., Weber, H. P., Pattison, P. & Schwarzenbach, D. (2004). The charge density of urea from synchrotron diffraction data. Acta Crystallographica Section A: Foundations and Advances, 60, 371-381.

Overgaard, J., Schiøtt, B., Larsen, F. K. & Iversen, B. B. (2001). The Charge Density Distribution in a Model Compound of the Catalytic Triad in Serine Proteases. Chemistry - A European Journal, 17, 3756-3767.

Thomsen, R. M., Skibsted, J. & Yue, Y. (2018). The Charge-Balancing Role of Calcium and Alkali Ions in Per-Alkaline Aluminosilicate Glasses. Journal of Physical Chemistry B, 122(12), 3184-3195. https://doi.org/10.1021/acs.jpcb.7b12437

Rasmussen, H. Ø., Wollenberg, D. T. W., Wang, H., Andersen, K. K., Oliveira, C. L. P., Jørgensen, C. I., Jørgensen, T. J. D., Otzen, D. E. & Pedersen, J. S. (2022). The changing face of SDS denaturation: Complexes of Thermomyces lanuginosus lipase with SDS at pH 4.0, 6.0 and 8.0. Journal of Colloid and Interface Science, 614, 214-232. https://doi.org/10.1016/j.jcis.2021.12.188

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

Koch, H., Christiansen, O., Jørgensen, P., Sanchez De Merás, A. M. & Helgaker, T. (1997). The CC3 model: An iterative coupled cluster approach including connected triples. Journal of Chemical Physics, 106(5), Artikel 1808. https://doi.org/10.1063/1.473322

Olsen, J. (2011). The CASSCF Method: A Perspective and Commentary. International Journal of Quantum Chemistry, 111(13), 3267-3272.

Bülow, A., Meyer, T., Olszewski, T. K. & Bols, M. (2004). The C-4 Configuration as a Probe for the Study of Glycosidation Reactions. European Journal of Organic Chemistry, 2004, 323-329.

Borcher Møller, S. L., Rasmussen, M. H., Li, J., Svenningsen, E. B., Wørmer, G. J., Tørring, T. & Poulsen, T. B. (2024). The Biological Activities of Polyether Ionophore Antibiotic Routiennocin is Independent of Absolute Stereochemistry. ChemBioChem, 25(7), Artikel e202400013. https://doi.org/10.1002/cbic.202400013

Jiang, L., Svane, A. S. P., Sørensen, H. P., Jensen, J. K., Hosseini, M., Chen, Z., Weydert, C., Nielsen, J. T., Christensen, A., Yuan, C., Jensen, K. J., Nielsen, N. C., Malmendal, A., Huang, M. & Andreasen, P. (2011). The binding mechanism of a peptidic cyclic serine protease inhibitor. International Journal of Molecular Biology, 412(2), 235-50. https://doi.org/10.1016/j.jmb.2011.07.028

Viuff, A., Salamone, S., McLoughlin, J., Deane, J. E. & Jensen, H. H. (2021). The Bicyclic Form of galacto-Noeurostegine Is a Potent Inhibitor of β-Galactocerebrosidase. ACS Medicinal Chemistry Letters, 12(1), 56-59. https://doi.org/10.1021/acsmedchemlett.0c00377

Rotger, M., Boudon, V., Loete, M., Zvera-Loete, N., Margules, L., Demaison, J., Merke, I., Burger, H. & Hegelund, F. (2006). The bending triad of the quasi-spherical top molecule SO2F2 in the 550 cm-1 region. Journal of Molecular Spectroscopy, 238, 145-157.

Jensen, F. (2008). The Basis Set Convergence of Nuclear Magnetic Shielding Constants Calculated by Density Functional Methods. Journal of Chemical Theory and Computation, (4), 719-727. https://doi.org/10.1021/ct800013z

Frank, S., Ceccato, M., Jeppesen, H. S., Marks, M. J., Nielsen, M. L. N., Lu, R., Gammelgaard, J. J., Quinson, J., Sharma, R., Jensen, J. S., Hjelme, S., Friberg Klysner, C., Billinge, S. J. L., Just, J., Gjørup, F. H., Catalano, J. & Lock, N. (2024). The AUREX cell: a versatile operando electrochemical cell for studying catalytic materials using X-ray diffraction, total scattering and X-ray absorption spectroscopy under working conditions. Journal of Applied Crystallography, 57(5), 1489-1502. https://doi.org/10.1107/S1600576724007817

Høst, S., Olsen, J., Jansik, B., Thøgersen, L., Jørgensen, P. & Helgaker, T. (2008). The augmented Roothaan-Hall method for optimizing Hartree-Fock and Kohn-Sham density matrices. Journal of Chemical Physics, 129, 124106.

Niess, B. & Jørgensen, K. A. (2007). The Asymmetric Vinylogous Mannich Reaction of Dicyanoalkylidenes with α-Sulfo Sulfones under Phase-Transfer Conditions. Chemical Communications, 1620.

Laursen, J., Milman, N., Pind, N., Pedersen, H. & Mulvad, G. (2014). The association between content of the elements S, Cl, K, Fe, Cu, Zn and Br in normal and cirrhotic liver tissue from Danes and Greenlandic Inuit examined by dual hierarchical clustering analysis. Journal of Trace Elements in Medicine and Biology, 28(1), 50-55. https://doi.org/10.1016/j.jtemb.2013.08.003

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