Publikationer

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Publikationer fra Institut for Kemi

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Birkedal, H., Froelich, S., Leemreize, H., Stallbohm, R. & Tseng, Y.-H. (2013). The Mineralized Byssus of Anomia Simplex: a Calcified Attachment System. I H. Birkedal, S. Frølic, H. Leemreiz, R. Stallbohm & Y. H. Tseng (red.), Biological and Biomimetic Adhesives: Challenges and Opportunities (s. 16-26). Royal Society of Chemistry. https://doi.org/10.1039/9781849737135-00016

Madsen, G. K. H. (2004). The metal-insulator phase transition in mixed potassium-rubidium electro-sodalites. Acta Crystallographica Section A: Foundations and Advances, 60, 450-454.

Sarup, P. M., Pedersen, S. M., Nielsen, N. C., Malmendal, A. & Loeschcke, V. (2012). The metabolic profile of long-lived Drosophila melanogaster. PLoS One, 7(10), e47461. https://doi.org/10.1371/journal.pone.0047461

Yan, Y., Dononelli, W., Jørgensen, M., Grinderslev, J. B., Lee, Y. S., Cho, Y. W., Černý, R., Hammer, B. & Jensen, T. R. (2020). The mechanism of Mg²⁺ conduction in ammine magnesium borohydride promoted by a neutral molecule. Physical Chemistry Chemical Physics, 22(17), 9204-9209. https://doi.org/10.1039/d0cp00158a

Daasbjerg, K., Svith, H., Grimme, S., Gerenkamp, M., Mück-Lichtenfeld, C., Gansäuer, A., Barchuk, A. & Keller, F. (2006). The Mechanism of Epoxide Opening through Electron Transfer: Experiment and Theory in Concert. Topics in Curr. Chem, 263, 39-69.

Pedersen, K. B., Ingólfsson, H. I., Ramirez-Echemendia, D. P., Borges-Araújo, L., Andreasen, M. D., Empereur-Mot, C., Melcr, J., Ozturk, T. N., Bennett, W. F. D., Kjølbye, L. R., Brasnett, C., Corradi, V., Khan, H. M., Cino, E. A., Crowley, J., Kim, H., Fábián, B., Borges-Araújo, A. C., Pavan, G. M. ... Marrink, S. J. (2025). The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior. ACS Central Science, 11(9), 1598-1610. https://doi.org/10.1021/acscentsci.5c00755

Faaborg, A. M. M., Østergaard, M., Langdal, N. K., Kantor, I., Christensen, T. E. K. & Birkedal, H. (2026). The mantis shrimp eye imaged in 3D using 4th generation synchrotron multiscale phase contrast tomography. Journal of Structural Biology, 218(3), Artikel 108339. https://doi.org/10.1016/j.jsb.2026.108339

Cador, O., Gatteschi, D., Sessoli, R., Larsen, F. K., Overgaard, J., Barra, A.-L., Teat, S. J., Timco, G. A. & Winpenny, R. E. P. (2004). The Magnetic Möbius Strip: Synthesis, Structure, and Magnetic Studies of Odd-Numbered Antiferromagnetically Coupled Wheels. Angewandte Chemie International Edition, 43, 5196-5200.

Crawford, T. D., Abrams, M. L., King, R. A., Lane, J. R., Schofield, D. P. & Kjærgaard, H. G. (2006). The lowest ²A_^´ excited state of the water-hydroxyl complex. Journal of Chemical Physics, 125, 204302.

Madsen, G. K. H., McIntyre, G. J., Schiøtt, B. & Larsen, F. K. (2007). The Low-Barrier Hydrogen Bond of Deuterated Benzoylacetone Probed by Very Low Temperature Neutron and X-ray Diffraction Studies and Theoretical Calculations. Chemistry - A European Journal, 13, 5539-5547. https://doi.org/10.1002/chem.200601490

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

Mankelow, T. J., Burton, N., Stefansdottir, F. O., Spring, F. A., Parsons, S. F., Pedersen, J. S., Oliveira, C., Lammie, D., Wess, T., Mohandas, N., Chasis, J. A., Brady, R. L. & Anstee, D. J. (2007). The Laminin 511/521-binding site on the Lutheran blood group Glycoprotein is located at the flexible junction of Ig domains 2 and 3. Blood, 110(9), 3398-3406.

Shyam, P., Vijayan Pillai, H. & Christensen, M. (2021). The journey from disorder to order: transformation of ferrite magnets investigated in situ by combined Bragg and total scattering analysis. Acta Crystallographica Section A: Foundations of Crystallography, A77(Supplement), C367. https://scripts.iucr.org/cgi-bin/paper?S0108767321093181

Birkedal, H., Broomell, C., Khan, R. K., Slack, N., Lichtenegger, H. C., Zok, F., Stucky, G. D. & Waite, J. H. (2005). The Jaws of Nereis: Microstructure and Mechanical Properties. Mater. Res. Soc. Symp. Proc., 874, 2-2.

Valnickova, Z., Thøgersen, I., Potempa, J. & Enghild, J. J. (2007). The intrinsic enzymatic activity of procarboxypeptidase U (TAFI) does not significantly influence the fibrinolytic rate: reply to a rebuttal. J Thromb Haemost. 2007.

Liu, X.-R., Chen, X.-M., Zhang, J., Jensen, T. R. & Chen, X. (2019). The interconversion between THF•B₃H₇ and B₃H₈-: an efficient synthetic method for MB₃H₈ (M = Li and Na). Dalton Transactions, 48(16), 5140-5143. https://doi.org/10.1039/c9dt00843h

Nielsen, S. B., Wilhelm, K., Vad, B., Schleucher, J., Morozova-Roche, L. A. & Otzen, D. (2010). The interaction of equine lysozyme:oleic acid complexes with lipid membranes suggests a cargo off-loading mechanism. Journal of Molecular Biology, 398(2), 351-61. https://doi.org/10.1016/j.jmb.2010.03.012

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

Sbardella, D., Tundo, G. R., Coletta, A., Marcoux, J., Koufogeorgou, E. I., Ciaccio, C., Santoro, A. M., Milardi, D., Grasso, G., Cozza, P., Bousquet-Dubouch, M. P., Marini, S. & Coletta, M. (2018). The insulin-degrading enzyme is an allosteric modulator of the 20S proteasome and a potential competitor of the 19S. Cellular and Molecular Life Sciences, 75(18), 3441-3456. https://doi.org/10.1007/s00018-018-2807-y

Andersen, K. H., Argyriou, D. N., Jackson, A. J., Houston, J., Henry, P. F., Deen, P. P., Toft-Petersen, R., Beran, P., Strobl, M., Arnold, T., Wacklin-Knecht, H., Tsapatsaris, N., Oksanen, E., Woracek, R., Schweika, W., Mannix, D., Hiess, A., Kennedy, S., Kirstein, O. ... Schreyer, A. (2020). The instrument suite of the European Spallation Source. Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 957, Artikel 163402. https://doi.org/10.1016/j.nima.2020.163402

Palmer, M. H., Wugt Larsen, R. & Hegelund, F. (2004). The infrared spectrum of isoxazole in the range 600-1400 cm-1: Including a high-resolution study of the nu7(A') band at 1370.9 cm-1 and the nu16(A'') band at 764.9 cm-1, together with ab initio studies of the full spectrum. Mol. Phys., 14-15(102), 1569-1581.

Hegelund, F., Wugt Larsen, R., Aitken, R. A., Kraus, H., Nicolaisen, F. M. & Palmer, M. H. (2004). The infrared spectrum of isothiazole in the range 600-1500 cm-1: Including a high-resolution study of the nu11(A') band at 818 cm-1 and the nu16(A'') band at 727 cm-1 together with ab initio studies of the full spectrum. Mol. Phys., 14-15(102), 1583-1595.

Kjær, L., Giehm, L., Heimburg, T. R. & Otzen, D. (2009). The influence of vesicle composition and size on a-synuclein structure and stability. Biophysical Journal, 96.

Schiøtt, B. (2004). The Influence of Solvation on the Asp-His Interaction in Subtilisins. Insights from a Density Functional Theory Study. Chemical Communications, 498-499.

Amdisen, M. B., Cheng, Y., Jalarvo, N., Pajerowski, D., Brown, C. M., Jensen, T. R. & Andersson, M. S. (2024). The Influence of Reorientational and Vibrational Dynamics on the Mg²⁺ Conductivity in Mg(BH₄)₂·CH₃NH₂. Chemistry of Materials, 36(19), 9784-9792. Artikel 36. https://doi.org/10.1021/acs.chemmater.4c01947

Heere, M., Payandeh GharibDoust, S., Frommen, C., Humphries, T. D., Ley, M. B., Sørby, M. H., Jensen, T. R. & Hauback, B. C. (2016). The influence of LiH on the rehydrogenation behavior of halide free rare earth (RE) borohydrides (RE = Pr, Er). Physical Chemistry Chemical Physics, 18(35), 24387-24395. https://doi.org/10.1039/C6CP04523E

Berntson, L., Fasth, A., Andersson-Gäre, B., Herlin, T., Kristinsson, J., Lahdenne, P., Marhaug, G., Nielsen, S., Pelkonen, P. & Rygg, M. (2002). The influence of heredity for psoriasis on the ILAR classification of juvenile idiopathic arthritis. Journal of Rheumatology, 29(11), 2454-8.

Wang, X., Sø, L. U., Su, R., Wendt, S., Hald, P., Mamakhel, M. A. H., Yang, C., Huang, Y., Iversen, B. B. & Besenbacher, F. (2014). The influence of crystallite size and crystallinity of anatase nanoparticles on the photo-degradation of phenol. Journal of Catalysis, 310, 100-108. https://doi.org/10.1016/j.jcat.2013.04.022

Christensen, M. L. & Hinge, M. (2008). The influence of creep on cake solid volume fraction during filtration of core-shell particles. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 320, 227-232.

Grouleff, J., Irudayam, S. J., Skeby, K. K. & Schiøtt, B. (2015). The influence of cholesterol on membrane protein structure, function, and dynamics studied by molecular dynamics simulations. Biochimica et Biophysica Acta - Biomembranes, 1848(9), 1783-1795. https://doi.org/10.1016/j.bbamem.2015.03.029

Fang, L., Xu, C., Zhang, W. & Huang, L.-Z. (2018). The important role of polyvinylpyrrolidone and Cu on enhancing dechlorination of 2,4-dichlorophenol by Cu/Fe nanoparticles: Performance and mechanism study. Applied Surface Science, 435, 55-64. https://doi.org/10.1016/j.apsusc.2017.11.084

Peña-Díaz, S., Jiang, Y., Zhang, Z., Daugberg, A., Ferreira, P., López Hernández, M., Mittal, C., Ramos, M. J., Pedersen, J. S., Dueholm, M. K. D., Qin, C., Wang, H. & Otzen, D. E. (2026). The Importance of Being Imperfect: Structure and Function of Bacterial Amyloid. Advanced Science, 13(4), Artikel e17090. https://doi.org/10.1002/advs.202517090

Andreasen, M., Skeby, K. K., Zhang, S., Nielsen, E. H., Klausen, L. H., Frahm, H., Christiansen, G., Skrydstrup, T., Dong, M., Schiøtt, B. & Otzen, D. (2014). The Importance of Being Capped: Terminal Capping of an Amyloidogenic Peptide Affects Fibrillation Propensity and Fibril Morphology. Biochemistry, 53(44), 6968-6980. https://doi.org/10.1021/bi500674u

Qiu, T., Qiu, Y., Yuan, Y., Su, R., Meng, X., Ma, J., Wang, X., Gu, Y., Wu, Z., Ning, Y., Hua, X., Liang, D. & Dong, D. (2025). The impacts of pollution sources and temperature on the light absorption of HULIS were revealed by UHPLC-HRMS/MS at the molecular structure level. Atmospheric Chemistry and Physics, 25(18), 11505-11516. https://doi.org/10.5194/acp-25-11505-2025

Głazowska, S., Baldwin, L., Mravec, J., Bukh, C., Hansen, T. H., Jensen, M. M., Fangel, J. U., Willats, W. G. T., Glasius, M., Felby, C. & Schjoerring, J. K. (2018). The impact of silicon on cell wall composition and enzymatic saccharification of Brachypodium distachyon. Biotechnology for Biofuels, 11(1), Artikel 171. https://doi.org/10.1186/s13068-018-1166-0

Rosati, B., Christiansen, S., Dinesen, A., Roldin, P., Massling, A., Nilsson, E. D. & Bilde, M. (2021). The impact of atmospheric oxidation on hygroscopicity and cloud droplet activation of inorganic sea spray aerosol. Scientific Reports, 11(1), Artikel 10008. https://doi.org/10.1038/s41598-021-89346-6

Snyder, J., Gao, Z., Lambert, J. D. C. & Ogilby, P. R. (2005). The imaging of singlet oxygen in single cells. I D. Kessel (red.), Optical Methods for Tumor Treatment and Detection: Mechanisms and Techniques in Photodynamic Therapy XIV (s. 17-25). The International Society for Optical Engineering.

Ickes, L., Porter, G. C. E., Wagner, R., Adams, M. P., Bierbauer, S., Bertram, A. K., Bilde, M., Christiansen, S., Ekman, A. M. L., Gorokhova, E., Höhler, K., Kiselev, A. A., Leck, C., Möhler, O., Murray, B. J., Schiebel, T., Ullrich, R. & Salter, M. E. (2020). The ice-nucleating activity of Arctic sea surface microlayer samples and marine algal cultures. Atmospheric Chemistry and Physics, 20(18), 11089-11117. Artikel 11089. https://doi.org/10.5194/acp-20-11089-2020

Pawlowski, F., Jørgensen, P. & Hättig, C. (2004). The hyperpolarizability of the Ne atom in the approximate coupled cluster triples model CC3. Chemical Physics Letters, 391, 27-32.

Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2006). The (Hyper)Polarizabilities of Liquid Water Modelled UsingCoupled Cluster/Molecular Mechanics Response Theory Methods. I Atoms, Molecules and Clusters in electric fields.Theoretical approaches to the calculation of electric polarizability Imperial College Pres.

Kongsted, J., Osted, A., Mikkelsen, K. V. & Christiansen, O. (2005). The (Hyper)Polarizabilities of Liquid Water Modelled Using Coupled Cluster/Molecular Mechanics Response Theory Methods. I G. Maroulis (red.), Atoms, Molecules and Clusters in electric fields. Theoretical approaches to the calculation of electric polarizability

Hansen, A. M. K., Hong, J., Kristensen, K., Ylisirniö, A., Virtanen, A., Petäjä, T., Glasius, M. & Prisle, N. L. (2014). The hygroscopic properties of limonene-derived organosulfates and their mixtures with ammonium sulfate at sub- and supersaturated conditions. I M. Kulmala, M. Boy & J. Kontkanen (red.), Proceedings of Nordic Center of Excellence in 'Cryosphere-Atmosphere Interactions in a Changing Arctic Climate': Annual Meeting 2014 (s. 35-38). Finnish Association for Aerosol Research. http://www.atm.helsinki.fi/FAAR/reportseries/rs-155.pdf

Roelsgaard, M., Nørby, P., Eikeland, E., Søndergaard, M. & Iversen, B. B. (2016). The hydrothermal synthesis, crystal structure and electrochemical properties of MnSb₂O₄. Dalton Transactions, 45(47), 18994-19001. https://doi.org/10.1039/c6dt03459d

Jensen, S. K., Keiding, S. R. & Thøgersen, J. (2010). The hunt for CHO(aq). Physical Chemistry Chemical Physics, 12, 8926-8933.

Karring, H., Thøgersen, I., Klintworth, G., Møller-Pedersen, T. & Enghild, J. J. (2006). The human cornea proteome: bioinformatic analyses indicate import of plasma proteins into the cornea. Molecular Vision, (12), 451-60.

Hegelund, F., Wugt Larsen, R. & Palmer, M. H. (2008). The high-resolution infrared spectrum of thiophene between 600 and 1200 cm-1: A spectroscopic and theoretical study of the fundamental bands nu6, nu7, nu13, and the c-Coriolis interacting dyad nu5,nu19. Journal of Molecular Spectroscopy, 247, 100-114.

Hegelund, F., Larsen, R. W. & Palmer, M. H. (2008). The high-resolution infrared spectrum of pyrrole between 900 and 1500 cm(-1) revisited. Journal of Molecular Spectroscopy, 252(1), 93-97.

Hegelund, F., Wugt Larsen, R., Nicolaisen, F. M. & Palmer, M. H. (2005). The high-resolution infrared spectrum of isoxazole vapor between 800 and 1700 cm-1. J. Mol. Spectrosc., 229, 244-256.

Dubois, C., Perrier, S., George, C. & Riva, M. (2024). The High Pressure Inside Aerosol Particles Enhances Photochemical Reactions of Biomass Burning Compounds. ACS Earth and Space Chemistry, 8(5), 1062-1071. https://doi.org/10.1021/acsearthspacechem.4c00011

Britz, D., Britz, T., Shiromoto, K. & Sørensen, H. K. (2007). The Higher Weight Enumerators of the Doubly-Even, Self-Dual [48,24,12] Code. I E E E Transactions on Information Theory, 53(7), 2567-2571.

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