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Institut for Kemi

Publikationer

Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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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), Artikel 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), Artikel 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), Artikel 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, Artikel 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), Artikel 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, Artikel 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 SrFe_12-xAl_xO₁₉ 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), Artikel 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, Artikel 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), Artikel 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), Artikel 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, Artikel 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), Artikel 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), Artikel 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), Artikel 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, Artikel 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), Artikel 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 Dy^III₂Dimer. 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), Artikel 144706. https://doi.org/10.1063/5.0296008

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Revideret 08.05.2026

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Institut for Kemi