Department of Chemistry

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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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Nielsen, A. M. H. & Jensen, F. (2025). Minimal Basis Iterative Stockholder Decomposition with Ellipsoidal Atoms. Journal of Chemical Theory and Computation, 21(18), 8753-8761. https://doi.org/10.1021/acs.jctc.5c00788
Mikkelsen, J. E. S. & Jensen, F. (2025). Minimal Basis Iterative Stockholder Decomposition with Multipole Constraints. Journal of Chemical Theory and Computation, 21(3), 1179-1193. https://doi.org/10.1021/acs.jctc.4c01297
Grinderslev, J. B., Kjær, T. S. S., Skov, L. N. & Jensen, T. R. (2025). Mixed anion closo-carbaborates as Na-superionic conductors. Journal of Materials Chemistry A, 13(20), 15031-15039. https://doi.org/10.1039/d4ta07853e
Trolle, G. B., Kubecka, J. & Elm, J. (2025). Modeling Local Aerosol Surface Environments: Clustering of Pyruvic Acid Analogs, Water, and Na+, Cl_ Ions. ACS Omega, 10(1), 1470–1485. https://doi.org/10.1021/acsomega.4c09196
Diprima, D., Paulsen, T. T., Pulcinella, A., Bonciolini, S., Gabbey, A. L., Stuhr, R., Poulsen, T. B. & Noël, T. (2025). Modular Synthesis of Substituted Lactams via a Deoxygenative Photochemical Alkylation-Cyclization Cascade of Secondary Amides in Flow. JACS Au, 5(9), 4584-4592. https://doi.org/10.1021/jacsau.5c00884
Kösterke, T., Thakore, R., Moreno, S., Pedersen, J. S., Voit, B., Klementieva, O. & Appelhans, D. (2025). Molecular architectures of glycosylated dendronized bottle brushes in action: Biocompatibility and anti-amyloidogenic activity of pseudo-glycodendrimers. Materials Today Bio, 32, Article 101771. https://doi.org/10.1016/j.mtbio.2025.101771
Mostovaya, A., Thomsen, L. D., Sejr, M. K., Glasius, M. & Holding, J. M. (2025). Molecular Signatures of Dissolved Organic Matter Across the Glacial, Proglacial, and Fjord Continuum in NE Greenland. Journal of Geophysical Research: Biogeosciences, 130(12), Article e2025JG009161. https://doi.org/10.1029/2025JG009161
Hansen, S. B., Bartual, S. G., Yuan, H., Raimi, O. G., Gorelik, A., Ferenbach, A. T., Lytje, K., Pedersen, J. S., Drace, T., Boesen, T. & van Aalten, D. M. F. (2025). Multi-domain O-GlcNAcase structures reveal allosteric regulatory mechanisms. Nature Communications, 16(1), Article 8828. https://doi.org/10.1038/s41467-025-63893-2
Okholm, K. R., Nooteboom, S. W., Zijlstra, P. & Sutherland, D. S. (2025). Multivalency Studied at the Single Molecule Level via Plasmon Enhanced Fluorescence. International Conference on Metamaterials, Photonic Crystals and Plasmonics, 1303-1304.
Boonkaew, S., Teodori, L., Vendelbo, M. H., Kjems, J. & Ferapontova, E. E. (2025). Nanobodies' duo facilitates ultrasensitive serum HER-2/neu immunoassays via enhanced avidity interactions. Analytica Chimica Acta, 1335, Article 343472. https://doi.org/10.1016/j.aca.2024.343472
Peña Díaz, S., Zhang, Z., Jiang, Y., Daugberg, A. O. H., López Hernández, M., Nielsen, J., Dueholm, M. K. D., Dong, MD., Pedersen, J. S., Otzen, D. E. & Wang, H. (2025). Natural Design of a Stabilized Cross-β Fold: Structure of the FuA FapC from Pseudomonas Sp. UK4 Reveals a Critical Role for Stacking of Imperfect Repeats. Advanced Materials, 37(34), Article 2505503. https://doi.org/10.1002/adma.202505503
Subrahmaniam, H. J., Pico, X., Bataillon, T., Salomonsen, C. L., Glasius, M. & Ehlers, B. (2025). Natural variation in root exudate composition in the genetically structured Arabidopsis thaliana in the Iberian Peninsula. New Phytologist, 245(4), 1437-1449. https://doi.org/10.1111/nph.20314
Jensen, L. N., Kristensen, K., Iversen, E. M., Canagaratna, M. R., Roldin, P. & Bilde, M. (2025). Nature of Temperature-Induced Phase Transitions in Secondary Organic Aerosol Particles. Environmental Science and Technology, 59(45), 24359-24367. https://doi.org/10.1021/acs.est.5c08582
Sarkar, S. & Iversen, B. B. (2025). Near-Zero Thermal Expansion in Coordination Polymer Cd(1,2,4-Triazole)2(H2PO4)2. Angewandte Chemie International Edition, 64(25), Article e202503365. https://doi.org/10.1002/anie.202503365
Michiardi, M., Arnold, F., Vaitheeswaran, G., Day, R. P., Fischer, K., Shwetha, G., Kanchana, V., Curcio, D., Volckaert, K., Bianchi, M., Elfimov, I. S., Iversen, B. B., Damascelli, A. & Hofmann, P. (2025). New family of square net materials: Rare-earth diantimonides. Physical Review Materials, 9(12), Article 124201. https://doi.org/10.1103/ybcm-435p
Viennet, T. (2025). NMR and semi-synthesis in synergy to study protein regulation. Journal of Structural Biology, 217(2), Article 108192. https://doi.org/10.1016/j.jsb.2025.108192
Kristensen, H. H., Kranabetter, L., Ghazaryan, A., Schouder, C. A., Hansen, E., Jensen, F., Zillich, R. E., Lemeshko, M. & Stapelfeldt, H. (2025). Nonadiabatic laser-induced alignment dynamics of alkali-metal dimers on the surface of a helium droplet. Physical Review A, 111(3), Article 033114. https://doi.org/10.1103/PhysRevA.111.033114
Pramanick, A., Babori, C., Albertini, F., Gjørup, F. H., Oudot, A. B., Kumar, A., Jørgensen, M. R. V. & Daniel, L. (2025). Nonlinearity and Domain Switching in a 3D-Printed Architected Ferroelectric. Advanced Engineering Materials, 27(10), Article 2402104. https://doi.org/10.1002/adem.202402104
Støckler, K. A. H., Xue, Z., Guo, S., Zhang, J., Su, L. & Iversen, B. B. (2025). Octahedral clustering of Er3+ ions in Er:CaF2 at low doping concentrations. Physical Review Materials, 9(7), Article 073607. https://doi.org/10.1103/v4vy-vv5v
Nemet, N. A. I., Bertelsen, A. D., Kløve, M. N., Mamakhel, A. H. & Iversen, B. B. (2025). One-Step Synthesis of Anatase TiO2 Nanoparticles Using a Nonmixing Continuous Flow Solvothermal Reactor. Crystal Growth and Design, 25(4), 1044-1052. https://doi.org/10.1021/acs.cgd.4c01386
Krokengen, O. C., Raasakka, A., Klenow, M. B., Pal, A., Hetland, Ø., Mularski, A., Ruskamo, S., Pedersen, J. S., Simonsen, A. C. & Kursula, P. (2025). On the synergy between myelin proteins P0, MBP, and P2 in peripheral nerve major dense line formation. FEBS journal, 292(15), 3960-3985. https://doi.org/10.1111/febs.70111
Praetz, S., Johansen, M., Kober, D., Tesic, M., Schlesiger, C., Bomholdt Ravnsbæk, D. & Kanngießer, B. (2025). Operando laboratory XAS on battery materials using the DANOISE cell in a von Hámos spectrometer. Journal of Analytical Atomic Spectrometry, 40(9), 2447-2461. https://doi.org/10.1039/d5ja00155b
Carvalho, J. P., Goodwin, D. L., Wili, N., Nielsen, A. B. & Nielsen, N. C. (2025). Optimal control design strategies for pulsed dynamic nuclear polarization. The Journal of Chemical Physics, 162(5), Article 054111. https://doi.org/10.1063/5.0244723
Yu, H., Larsen, K. G. & Christiansen, O. (2025). Optimization methods for tensor decomposition: A comparison of new algorithms for fitting the CP(CANDECOMP/PARAFAC) model. Chemometrics and Intelligent Laboratory Systems, 257, Article 105290. https://doi.org/10.1016/j.chemolab.2024.105290
Østergaard, N. L., Kristensen, A., Marcantonio, E., Skipper, M. L., Dudziński, M., McLeod, D. A. & Jørgensen, K. A. (2025). Organocatalytic Enantioselective [4 + 4] Cycloadditions of Furan Ortho-Quinodimethanes. Angewandte Chemie - International Edition, 64(41), Article e202514300. https://doi.org/10.1002/anie.202514300
Rasmussen, M. H., Møller, S. L. B., Svenningsen, E. B., Tørring, T. & Poulsen, T. B. (2025). P450 Enzyme LyoI Performs Hydro-2,2'-Bifuran Oxidation in the Polyether Ionophore Lysocellin. Angewandte Chemie International Edition, 64(43), Article e202507847. https://doi.org/10.1002/anie.202507847
Mishra, A., Golbek, T. W., Thomassen, A. B., Zuzic, L., Schmüser, L., Saeed, K. H., Madzharova, F., Nielsen, J., Schiøtt, B., Otzen, D. E. & Weidner, T. (2025). Pathological Folding of α-Synuclein on Polystyrene Nanoplastic Revealed by Sum Frequency Scattering and 2D Infrared Spectroscopy. The Journal of Physical Chemistry Letters, 16(45), 11893-11900. https://doi.org/10.1021/acs.jpclett.5c02526
Oyarzua, E. & Jensen, F. (2025). Performance of the bond capacity model for charge polarization in classical molecular dynamics. The Journal of Chemical Physics, 163(7), Article 074103. https://doi.org/10.1063/5.0278180
Jorgensen, C., Linville, R. M., Galea, I., Lambden, E., Vögele, M., Chen, C., Troendle, E. P., Ruggiu, F., Ulmschneider, M. B., Schiøtt, B. & Lorenz, C. D. (2025). Permeability Benchmarking: Guidelines for Comparing in Silico, in Vitro, and in Vivo Measurements. Journal of Chemical Information and Modeling, 65(3), 1067-1084. https://doi.org/10.1021/acs.jcim.4c01815
Garner, N. M., Mahrt, F., Top, J., Tadei, V., Kilchhofer, K., Takahama, S., El Haddad, I., Bell, D. M., Ammann, M. & Alpert, P. A. (2025). Photochemistry of iron-containing secondary organic aerosol is impacted by relative humidity during formation. npj Climate and Atmospheric Science, 8(1), Article 246. https://doi.org/10.1038/s41612-025-01109-6
Lindkvist, T. T., Sillesen, C., Klinkby, N., Jensen, H. H., Andersen, L. H. & Nielsen, S. B. (2025). Photophysics of a Methylated GFP Chromophore Anion in Vacuo. Journal of Physical Chemistry A, 129(19), 4245–4251. https://doi.org/10.1021/acs.jpca.5c02039
Mishra, A., Golbek, T. W., Zubia-Aranburu, J., Madzharova, F., Drace, T., Bøggild, A., Boesen, T., Saeed, K. H., Klausen, L. H., Dong, M., Roeters, S. J. & Weidner, T. (2025). Polystyrene Nanoplastic Contaminants Denature Human Apolipoprotein A-1. Nano Letters, 25(35), 13160-13165. https://doi.org/10.1021/acs.nanolett.5c02743
Singh, A., Rahman, A., Mondal, S., Spackman, M. A., Iversen, B. B. & Thomas, S. P. (2025). Prediction and Validation of Mechanical Flexibility in Molecular Crystals: Dispersion Interactions Dictate Bending. Angewandte Chemie International Edition, 64(19), Article e202424496. https://doi.org/10.1002/anie.202424496
Vestergaard, A. K., Zhao, S., Leidinger, P. M., Sun, Z., Daasbjerg, K. & Lauritsen, J. V. (2025). Properties of a Co-Porphyrin 2D Covalent Monolayer on Au(111) for the Oxygen Reduction and Evolution Reaction. Journal of Physical Chemistry C, 129(27), 12341-12350. https://doi.org/10.1021/acs.jpcc.5c02774
Demir, F., Kovalenko, E., Lassé, M., Svenningsen, E. B., Bernth Jensen, J. M., Billing, A. M., Groeneveld, K., Hutzfeldt, A., Nilges, L., Guerra, J. P. L., Pietrzak-Lichwa, K. J., Tan, Y., Colby, E., Hansen, A. G., Kurmasheva, N., Olagnier, D., Choi, D., Richter, M. M., Laufer, S. D. ... Rinschen, M. M. (2025). Proteolytic profiling of human plasma reveals an immunoactive complement C3 fragment. EMBO Journal, 44(24), 7721-7758. https://doi.org/10.1038/s44318-025-00598-8
Bøggild, P., Booth, T. J., Jessen, B. S., Shivayogimath, A., Lassaline, N., Hofmann, S., Burton, O., Daasbjerg, K., Smith, A., Nørgaard, K., Zurutuza, A., Barkan, T. & Pollard, A. J. (2025). Protocols and tools to enable reproducibility in 2D materials research. Nature Reviews Physics, 7(12), 728-738. https://doi.org/10.1038/s42254-025-00875-9
Cordua, N., Steffensen, S. R., Mascherpa, A. G., Christensen, L. G. & Jensen, H. H. (2025). Purification-Free Preparation of Trifluoroacetimidoyl Chlorides and Their Use in Catalytic Chemical Glycosylation. Organic Letters, 27(7), 1602-1607. https://doi.org/10.1021/acs.orglett.4c04525
Buhl, J. M., Mahapatra, S., Kjærgaard, M. & Mulder, F. A. A. (2025). Quantification of Small Molecule Partitioning in a Biomolecular Condensate with 2D Nuclear Magnetic Resonance Spectroscopy. ChemBioChem, 26(17), Article e202500401. https://doi.org/10.1002/cbic.202500401
Nowak, J. S., Kruuse, N., Rasmussen, H. Ø., Tian, P., Astono, J., Schultz-Nielsen, S., Thøgersen, M. S., Stougaard, P., Pedersen, J. S. & Otzen, D. E. (2025). Quaternary stabilization of a GH2 β-galactosidase from the psychrophile A. ikkensis, a flexible and unstable dimeric enzyme. Protein Science, 34(5), Article e70141. https://doi.org/10.1002/pro.70141
Daniel Opfermann, M., Bøgelund Søndergård, M., Vase Bech, L., Nielsen, C. B., Mahía, A., Brinck Holt, C., Wang, T., Bisgaard Olesen, S., Frisch, K., Appel Østergaard, J., Britz, D., Lykke Nielsen, K., Galligan, J. J., Poulsen, T. B., Hansen, J. & Johannsen, M. (2025). Reactivity-based metabolomics reveal cysteine has glyoxalase 1-like and glyoxalase 2-like activities. Nature Chemical Biology, 21, 1397-1407. Article 2004. https://doi.org/10.1038/s41589-025-01909-0
Wenninger, M. K., Poulsen, M. L., Larsen, M. E. & Hauser, N. M. (2025). Recent Progress in the Synthesis and Glycosylation of Rare Sugars. Synthesis, 57(7), 1265-1279. https://doi.org/10.1055/s-0043-1775405
Pedersen, A. B., Andersen, D. G., Jakobsen, J. H., Montasell, M. C. & Zelikin, A. N. (2025). Receptor-Mediated Transmembrane Activation of Protein Folding in Synthetic Cells. Bioconjugate Chemistry, 36(4), 782-791. https://doi.org/10.1021/acs.bioconjchem.5c00043
Gündoğar, Z., Ho̷jlund, M. G., Larsen, K. G. & Christiansen, O. (2025). Recursive Linear Tensor Expansion with Natural Occupation Analysis. Journal of Chemical Theory and Computation, 21(19), 9270-9289. https://doi.org/10.1021/acs.jctc.5c01101
Stubkjær, R. B., Kløve, M., Bertelsen, A., Borup, A. B., Roelsgaard, M. & Iversen, B. B. (2025). Reliability of pair distribution function analysis in in situ experiments. Journal of Applied Crystallography, 58(2), 495-503. https://doi.org/10.1107/S1600576725001694
Poderyte, M., Lima, R., Golbækdal, P. I., Juhl, D. W., Olesen, K. L., Nielsen, N. C., Lanza, A. & Lee, J.-W. (2025). Repurposing polyethylene terephthalate plastic waste to capture carbon dioxide. Science Advances, 11(36), 1-9. https://doi.org/10.1126/sciadv.adv5906
Zhang, Y., Renno, G., Wørmer, G. J., Tamr, A. M., Thorn-Seshold, O., Poulsen, T. B., Sakai, N. & Matile, S. (2025). Reversible Conjugate Addition in Thiol-Mediated Uptake. Helvetica Chimica Acta, 108(10), Article e00091. https://doi.org/10.1002/hlca.202500091
Marks, M. J., Klysner, C. F., Frank, S., Lange, N. N., Klemmt, R., Jeppesen, H. S., Ceccato, M., Bøjesen, E. D., Goesten, M. G. & Lock, N. (2025). Revisiting Microstructure, Facet Exposure, and Lattice Distortion in Bismuth Oxyhalide (BiOX, X = Cl, Br, I) Nanomaterials for Catalysis. ACS Applied Nano Materials, 8(13), 6301-6317. https://doi.org/10.1021/acsanm.4c06675
Larsen, A. H., Jacobsen, J. B., Graewert, M. A., Grøndahl, L. B., Svaneborg, C., Sebastiani, F., Kikhney, A. G., Tyler, A. I. I., Kihara, S., Lytje, K., Pedersen, J. S., Moslehi, N., Voets, I., Fehér, B., Holm-Janas, V., Bruun, J., Pedersen, M. C. & Kirkensgaard, J. J. K. (2025). SAStutorials.org - online tutorials on small-angle scattering data analysis. Journal of Applied Crystallography, 58(Part 2), 603-608. https://doi.org/10.1107/S1600576725001062
Huang, R. J., Li, Y. J., Chen, Q., Zhang, Y., Lin, C., Chan, C. K., Yu, J. Z., de Gouw, J., Tong, S., Jiang, J., Wang, W., Ding, X., Wang, X., Ge, M., Zhou, W., Worsnop, D., Boy, M., Bilde, M., Dusek, U. ... Glasius, M. (2025). Secondary organic aerosol in urban China: A distinct chemical regime for air pollution studies. Science, 389(6763), Article eadq2840. https://doi.org/10.1126/science.adq2840
Kumar, S., Nikelshparg, E., Pilátová, J., Paul, A., Kumar, V., Koren, G., Beck, R., Jensen, H. H. & Segal, D. (2025). Self-Assembly of Accumulated Sphingolipids into Cytotoxic Fibrils in Globoid Cell Leukodystrophy and Their Inhibition by Small Molecules In Vitro. ACS Nano, 19(27), 25180-25203. https://doi.org/10.1021/acsnano.5c05498

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Department of Chemistry