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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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
Ragnarsson, Á. S., Uriarte, I. L., Howell, C., Saeed, K. H. & Weidner, T. (2025). The Orientation of Human Fibrinogen at Biomedically Relevant Polydimethylsiloxane-Water Interfaces. Langmuir, 41(19), 12089-12095. https://doi.org/10.1021/acs.langmuir.5c00581
Wilk-Kozubek, M., Mudryk, Y., Prodius, D., Dolotko, O., Ahmed, S. J., Overgaard, J., Smetana, V. & Mudring, A. V. (2025). The power of lanthanides: same composition, but different lanthanides leading to different interesting materials properties, from magnetocalorics to molecular magnets and phosphors. Polyhedron, 282, Article 117798. https://doi.org/10.1016/j.poly.2025.117798
Thøgersen, J., Mishra, A., Weidner, T. & Jensen, F. (2025). The primary photolysis of aqueous acrylate. Physical Chemistry Chemical Physics, 27(39), 21297-21306. https://doi.org/10.1039/d5cp03023d
Kubečka, J., Knattrup, Y., Trolle, G. B., Reischl, B., Lykke-Møller, A. S., Elm, J. & Neefjes, I. (2025). Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling. ACS Omega, 10(34), 39148-39161. https://doi.org/10.1021/acsomega.5c05634
Juul-Madsen, L., Cordua, N., Greve, R. D., Pedersen, K., Trinderup, H. H., Petersen, E. & Jensen, H. H. (2025). The Stereochemical Outcome of Galactosylations Is Influenced by Both the Position and Electron-Withdrawing Power of Distal Acyl Protecting Groups. The Journal of Organic Chemistry, 90(20), 6662-6671. https://doi.org/10.1021/acs.joc.4c02956
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
Højlund, M. G., Zoccante, A., Jensen, A. B. & Christiansen, O. (2025). Time-Dependent Vibrational Coupled Cluster Theory With Static and Dynamic Basis Functions. Wiley Interdisciplinary Reviews: Computational Molecular Science, 15(1), Article e70001. https://doi.org/10.1002/wcms.70001
Christensen, J. K., Albrechtsen, S. H., Petersen, C. E., Schouder, C. A., Sánchez-Pérez, I., Carchi-Villalta, P. J., Bartolomei, M., Pirani, F., González-Lezana, T. & Stapelfeldt, H. (2025). Time-resolved solvation dynamics of Li+, Na+ and K+ ions in liquid helium nanodroplets. Physical Chemistry Chemical Physics, 27(45), 24184-24194. https://doi.org/10.1039/d5cp03894d
Paulsen, T. T., Kiib, A. E., Wørmer, G. J., Hacker, S. M. & Poulsen, T. B. (2025). Total syntheses of cyclohelminthol I-IV reveal a new cysteine-selective covalent reactive group. Chemical Science, 16(9), 3916-3927. https://doi.org/10.1039/d4sc08667h
Skov, L. N., Grinderslev, J. B., Kjær, T. S. S., Kristensen, L. R. & Jensen, T. R. (2025). Towards Solid-State Batteries Using a Calcium Hydridoborate Electrolyte. Angewandte Chemie International Edition, 64(15), Article e202500613. https://doi.org/10.1002/anie.202500613
Coulon, R., Gajan, D., Papawassiliou, W., Pell, A. J., Schlagnitweit, J., Fayon, F., Florian, P., Massiot, D., Afrough, A., Juhl, D. W., Vosegaard, T., Cerofolini, L., Lelli, M., Lucci, M., Luchinat, C., Aspers, R. L. E. G., Gómez, J. S., Kentgens, A. P. M., Lambregts, S. F. H. ... Lesage, A. (2025). Transforming solid-state nuclear magnetic resonance towards a chemistry-ready technique. Solid State Nuclear Magnetic Resonance, 140, Article 102048. https://doi.org/10.1016/j.ssnmr.2025.102048
Hu, Q., Sitsel, O., Bågenholm, V., Grønberg, C., Lyu, P., Pii Svane, A. S., Andersen, K. R., Laursen, N. S., Meloni, G., Nissen, P., Juhl, D. W., Nielsen, J. T., Nielsen, N. C. & Gourdon, P. (2025). Transition metal transporting P-type ATPases: terminal metal-binding domains serve as sensors for autoinhibitory tails. FEBS journal, 292(7), 1654-1674. https://doi.org/10.1111/febs.17330
Andersen, D. G., Pedersen, A. B., Montasell, M. C., Moesgaard, S., Bohn, A. B. & Zelikin, A. N. (2025). Transmembrane Activation of Catalysis and Protein Refolding in Synthetic Cells by Enzymes and Nanozymes. Advanced Functional Materials, 35(34), Article 2503381. https://doi.org/10.1002/adfm.202503381
Overby, M., Desdorf, L. M., Kjølbye, L., Rosendahl, T., Weick, J. P., Schiøtt, B., Berglund, N. A. & Müller, H. K. (2025). Transmembrane domain interactions underlie NSG1 regulation of sortilin ectodomain shedding. Journal of Biological Chemistry, 301(11), Article 110804. https://doi.org/10.1016/j.jbc.2025.110804
Schulz, L., Ung, K. L., Zuzic, L., Koutnik-Abele, S., Schiøtt, B., Stokes, D. L., Pedersen, B. P. & Hammes, U. Z. (2025). Transport of phenoxyacetic acid herbicides by PIN-FORMED auxin transporters. Nature Plants, 11(5), 1049-1059. https://doi.org/10.1038/s41477-025-01984-0
Bregnhøj, M., Wili, N., Nielsen, A. B., Jensen, S. J. K., Nørnberg, P., Nielsen, N. C., Skibsted, J. & Finster, K. (2025). Triboelectrically Mediated Surface Reduction of Quartz Sand by Tumbling in Hydrogen Gas. Journal of Physical Chemistry C, 129(24), 10900-10910. https://doi.org/10.1021/acs.jpcc.5c02082
Jensen, R. B. & Christiansen, O. (2025). Unitary vibrational coupled cluster: General theory and implementation. The Journal of Chemical Physics, 162(8), Article 084112. https://doi.org/10.1063/5.0249469
Brix, M. V. B., Kløve, M., Stubkjær, R. B., Kato, K. & Iversen, B. B. (2025). Unraveling the Crystal Structures of Ag 2Ch (Ch = S, Se, Te) via Simultaneous X-Ray Diffraction and Total Scattering. Journal of the American Chemical Society, 147(29), 25858-25870. https://doi.org/10.1021/jacs.5c07875
Espinoza Ramos, I., Guo, Z., Clulow, R., Su, B., Zhao, Q., Holm Gjørup, F., Ahlberg Tidblad, A. & Zhang, L. (2025). Unveiling chemomechanical degradation in aqueous batteries with online acoustic emission sensing. Materials Today Energy, 51, Article 101899. https://doi.org/10.1016/j.mtener.2025.101899
Moesgaard, J., Fujita, T. & Wei, S. (2025). Unveiling the boson peaks in amorphous phase-change materials. Journal of Physics: Condensed Matter, 37(2), Article 025101. https://doi.org/10.1088/1361-648X/ad80ef
Knattrup, Y. & Elm, J. (2025). Uptake of organic vapours and nitric acid on atmospheric freshly nucleated particles. Aerosol Research, 3(1), 125-137. https://doi.org/10.5194/ar-3-125-2025
Amdisen, M. B. & Jensen, T. R. (2025). Urea Calcium Borohydrides as Ca2+ Solid-State Electrolytes. Chemistry of Materials, 37(3), 1183-1194. https://doi.org/10.1021/acs.chemmater.4c03098
Carter, A. B., Braun, J., Bodenstein, T., Pfleger, R. F., Schulze, M., Kriese, T., Habermann, S. F. M., Liu, D., Al-Kahtani, A. A., Moreno-Pineda, E., Anson, C. E., Wernsdorfer, W., Chibotaru, L. F., Fink, K. & Powell, A. K. (2025). Using a Radical Straitjacket to Enforce an Ultrashort Dy–Dy Distance and Thus Enhance Dipolar Interactions in a DyIII2Dimer. Inorganic Chemistry, 64(51), 25036-25043. https://doi.org/10.1021/acs.inorgchem.5c04406
Saeed, K. H., Strunge, K., Mertig, R., Roeters, S. J. & Weidner, T. (2025). ViSCa: A computational toolbox for vibrational spectral calculations-Application to sum frequency generation spectroscopy of proteins. The Journal of Chemical Physics, 163(14), Article 144706. https://doi.org/10.1063/5.0296008
Green, A. E., Chen, K., Bhattacharyya, S., Allum, F., Usenko, S., Ashfold, M. N. R., Baumann, T. M., Borne, K. D., Brouard, M., Burt, M., Curchod, B. F. E., Erk, B., Forbes, R. J. G., Ibele, L. M., Ingle, R. A., Van Sa Lam, H., Li, X., Lin, K., Mazza, T. ... Rolles, D. (2025). Visualizing the Three-Dimensional Arrangement of Hydrogen Atoms in Organic Molecules by Coulomb Explosion Imaging. Journal of the American Chemical Society, 147(41), 37133-37143. https://doi.org/10.1021/jacs.5c08730
Vosegaard, E. S., Svane, J. & Brummerstedt Iversen, B. (2025). X-ray electron density analysis of chemical bonding in permanent magnet Nd2Fe14B. IUCrJ, 12(6), 658-669. https://doi.org/10.1107/S2052252525007602
Vestergaard, A. K., Gammelgaard, J. J., Sun, Z., Zhao, S., Li, Z., Lock, N., Daasbjerg, K. & Lauritsen, J. V. (2025). X-ray spectroscopy characterization of cobalt stabilization within a monolayer carbon nitride in the oxygen evolution reaction. Physical Chemistry Chemical Physics, 27(10), 5326-5337. https://doi.org/10.1039/d4cp04148h
Hall, C. A., Grinter, D. C., Sandemann, J., Iversen, B. B., Bennett, R. A., Held, G., Grau-Crespo, R. & Ferrer, P. (2025). Zinc depletion at the ZnFe2O4 (1 1 1) single crystal surface: X-ray spectroscopy experiments and computer simulations. Applied Surface Science, 713, Article 164253. https://doi.org/10.1016/j.apsusc.2025.164253
Nisticò, R., Idriss, H., Carlos, L., Aneggi, E. & Jensen, T. R. (2024). 10th Anniversary of Inorganics: Inorganic Materials. Inorganics, 12(3), Article 62. https://doi.org/10.3390/inorganics12030062

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Revised 08.05.2026
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Department of Chemistry