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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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
Jorgensen, C., Oliphant, E., Barker, M., López Martínez, E., Thulasi, S., Prior, H., Franey, B. W., Gregory, C., Oluwasegun, J., Ajay, A. & Draheim, R. R. (2025). Simulation and Machine Learning Assessment of P-Glycoprotein Pharmacology in the Blood–Brain Barrier: Inhibition and Substrate Transport. International Journal of Molecular Sciences , 26(18), Article 9050. https://doi.org/10.3390/ijms26189050
Svane, J., Quintero, M. A., Vosegaard, E. S., Kløve, M., Mayoh, D. A., Balakrishnan, G. & Iversen, B. B. (2025). Single-crystal synchrotron X-ray diffraction study reveals bulk intermediate M2 phase during the VO2 insulator-to-metal transition. Chemical Science, 16(42), 19888–19897. https://doi.org/10.1039/d5sc04769b
Gellert, N. C., Kantor, I., Christensen, T. E. K., Rodriguez-Palomo, A., Thomson, E. L., Høeg, A. L., Niese, S., Olsen, U. L., Dahl, A. B., Dyrby, T. B., Birkedal, H., Poulsen, H. F. & Mokso, R. (2025). Single exposure X-ray nano-tomography in the near-field Fresnel regime with multilayer Laue lenses. Optics Express, 33(20), 42221-42239. https://doi.org/10.1364/OE.565345
Lytje, K. & Pedersen, J. S. (2025). Small-angle X-ray scattering profile calculation for high-resolution models of biomacromolecules. Journal of Applied Crystallography, 58(Pt 4), 1332-1346. https://doi.org/10.1107/S160057672500562X
Schenz-Spisic, N., Christensen, T. E. K., Palle, J., Østergaard, M., Berglund, M., Hubner, J., Huber, H., Artioli, I., Offermanns, V., Chen, C., Foss, M., Crismani, A. G. & Birkedal, H. (2025). Strontium-coating of orthodontic miniscrews provides higher osseointegration – A rat model studied by histology, synchrotron X-ray fluorescence and diffraction imaging. Materialia, 40, Article 102385. https://doi.org/10.1016/j.mtla.2025.102385
Amdisen, M. B., Wu, H., Andersson, M. S., Dimitrievska, M., Zhou, W., Jensen, T. R., Brown, C. M., Leão, J. B. & Udovic, T. J. (2025). Structural and Dynamical Behaviors of Fast Ionic Conducting Potassium nido-(Carba)borates. Chemistry of Materials, 37(17), 6450-6461. https://doi.org/10.1021/acs.chemmater.5c00151
Thorup, P. S., Stubkjær, R. B., Huynh, K.-K., Ventrapati, P., Vosegaard, E. S., Borup, A. B. & Iversen, B. B. (2025). Structural origins of ultralow glass-like thermal conductivity in AgGaGe3Se8. Science Advances, 11(24), Article eadv5865. https://doi.org/10.1126/sciadv.adv5865
Ung, K. L., Schulz, L., Zuzic, L., Amsinck, B. L., Koutnik-Abele, S., Benhammouche, I., Andersen, C. G., Nel, L., Schiøtt, B., Stokes, D. L., Hammes, U. Z. & Pedersen, B. P. (2025). Structures and mechanism of the AUX/LAX transporters involved in auxin import. Nature Plants, 11(8), 1670-1680. https://doi.org/10.1038/s41477-025-02056-z
Ma, L., Nemet, N. A. I., Bremholm, M., Sun, Z., Vestergaard, A. K., Li, Z. & Lauritsen, J. V. (2025). Surface compositional modification of Weyl semimetal Co3Sn2S2(0001) from vacuum to electrochemical water splitting conditions. Applied Surface Science, 686, Article 162046. https://doi.org/10.1016/j.apsusc.2024.162046
Mahrt, F., Nikkho, S., Zaks, J., Uppal, G., Lam, A., Ammann, M. & Bertram, A. K. (2025). Surprising Crystallinity of Biomass Burning Secondary Organic Aerosol from Catechol and Nitrate Radical Reactions: Evidence and Possible Implications. Environmental Science and Technology, 59(32), 16923-16932. https://doi.org/10.1021/acs.est.5c06834
Uth, M., Hansen-Felby, M., Saugbjerg, J. R., Sommerfeldt, A., Pal, S., Henriksen, M. L., Pedersen, S. U. & Daasbjerg, K. (2025). Synthesis and reactivity of self-immolative pDTT-g-pGMA bottlebrush polymer. Express Polymer Letters, 19(12), 1216-1225. https://doi.org/10.3144/expresspolymlett.2025.90
Saura-Múzquiz, M., Eikeland, A. Z., Stingaciu, M., Andersen, H. L., Avdeev, M. & Christensen, M. (2025). Synthesis, Crystal Structure, Site Occupancy, and Magnetic Properties of Aluminum-Substituted M-Type Sr Hexaferrite SrFe12-xAlxO19 Nanoparticles. Chemistry of Materials, 37(3), 884-896. https://doi.org/10.1021/acs.chemmater.4c02205
Baran, A., Jensen, T. R. & Polański, M. (2025). Synthesis of Mg2FeH6 by High-Temperature High-Pressure Reactive Planetary Ball Milling. Advanced Engineering Materials, 27(6), Article 2400425. https://doi.org/10.1002/adem.202400425
Dansirima, P., Grinderslev, J. B., Kristensen, L. G., Utke, R. & Jensen, T. R. (2025). Tailoring dehydrogenation in lithium borohydride – magnesium nickel hydride hydrogen storage systems with metal halide additives. International Journal of Hydrogen Energy, 98, 908-914. https://doi.org/10.1016/j.ijhydene.2024.12.124
Chorro, T. H. D., Kaussler, C., Kolodiazhnaia, J. V., Jensen, F., Skrydstrup, T. & Correia, C. R. D. (2025). Tandem synthesis of enantioenriched spirolactones via one-pot Heck-Matsuda reactions directly from nitroarenes. Organic Chemistry Frontiers , 12(4), 1257-1265. https://doi.org/10.1039/d4qo01979b
Grinderslev, J. B., Skibsted, J. & Jensen, T. R. (2025). The Effects of Nanoconfinement in LiBH4·1/2CH3NH2-Al2O3 Composites. ACS Applied Energy Materials, 8(1), 298-305. https://doi.org/10.1021/acsaem.4c02360
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
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

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Department of Chemistry