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Department of Chemistry

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 Department of Chemistry

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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

Castanheira, E. J., Maia, J. R., Monteiro, L. P. G., Sobreiro-Almeida, R., Wittig, N. K., Birkedal, H., Rodrigues, J. M. M. & Mano, J. F. (2024). 3D-printed injectable nanocomposite cryogel scaffolds for bone tissue regeneration. Materials Today Nano, 28, Article 100519. https://doi.org/10.1016/j.mtnano.2024.100519

Højlund, M. G. & Christiansen, O. (2024). A bivariational, stable, and convergent hierarchy for time-dependent coupled cluster with adaptive basis sets. The Journal of Chemical Physics, 160(17), Article 174119. https://doi.org/10.1063/5.0203914

Pedersen, A. N., Knattrup, Y. & Elm, J. (2024). A cluster-of-functional-groups approach for studying organic enhanced atmospheric cluster formation. Aerosol Research, 2(1), 123-134. https://doi.org/10.5194/ar-2-123-2024

Nie, S. & Skibsted, J. (2024). Aluminum distribution in C-(A)-S-H and calcium aluminate hydrate phases of Portland cement – metakaolin – limestone blends studied by ²⁷Al and ²⁹Si NMR spectroscopy. Cement and Concrete Research, 186, Article 107664. https://doi.org/10.1016/j.cemconres.2024.107664

Mikkelsen, J. E. S. & Jensen, F. (2024). Ambiguities in Decomposing Molecular Polarizability into Atomic Charge Flow and Induced Dipole Contributions. Journal of Physical Chemistry A, 128(20), 4168–4175. https://doi.org/10.1021/acs.jpca.4c01890

Mamakhel, A., Kløve, M., Bondesgaard, M., Christiansen, T. L., Pedersen, S. U., Skibsted, J. & Iversen, B. B. (2024). Amphoteric SnO₂ nanoparticles via pH-controlled continuous flow solvothermal synthesis. Journal of Supercritical Fluids, 212, Article 106341. https://doi.org/10.1016/j.supflu.2024.106341

Dinesen, A., Andersen, V. L., Elkhashab, M., Pilati, D., Bech, P., Fuchs, E., Samuelsen, T. R., Winther, A., Cai, Y., Märcher, A., Wall, A., Omer, M., Nielsen, J. S., Chudasama, V., Baker, J. R., Gothelf, K. V., Wengel, J., Kjems, J. & Howard, K. A. (2024). An Albumin-Holliday Junction Biomolecular Modular Design for Programmable Multifunctionality and Prolonged Circulation. Bioconjugate Chemistry, 35(2), 214-222. https://doi.org/10.1021/acs.bioconjchem.3c00491

Faghtmann, J., Eugui, M., Nygaard Lamhauge, J., Sofie Pladsbjerg Andresen, S., Rask Østergaard, A., Bjerregaard Svenningsen, E., B. Poulsen, T. & Anker Jørgensen, K. (2024). An Enantioselective Aminocatalytic Cascade Reaction Affording Bioactive Hexahydroazulene Scaffolds. Chemistry - A European Journal, 30(32), Article e202401156. https://doi.org/10.1002/chem.202401156

Nielsen, R. V., Salimi, M., Andersen, J. E. V., Elm, J., Dantan, A. & Pedersen, H. B. (2024). A new setup for measurements of absolute saturation vapor pressures using a dynamical method: Experimental concept and validation. Review of Scientific Instruments, 95(6), Article 065007. https://doi.org/10.1063/5.0215176

Westberg, M., Su, Y., Zou, X., Huang, P., Rustagi, A., Garhyan, J., Patel, P. B., Fernandez, D., Wu, Y., Hao, C., Lo, C. W., Karim, M., Ning, L., Beck, A., Saenkham-Huntsinger, P., Tat, V., Drelich, A., Peng, B. H., Einav, S. ... Lin, M. Z. (2024). An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations. Science translational medicine, 16(738), Article eadi0979. https://doi.org/10.1126/scitranslmed.adi0979

Vitasovic, T., Caniglia, G., Eghtesadi, N., Ceccato, M., Bo̷jesen, E. D., Gosewinkel, U., Neusser, G., Rupp, U., Walther, P., Kranz, C. & Ferapontova, E. E. (2024). Antibacterial Action of Zn²⁺ Ions Driven by the In Vivo Formed ZnO Nanoparticles. ACS Applied Materials and Interfaces, 16(24), 30847-30859. https://doi.org/10.1021/acsami.4c04682

Mariz Maia Neto, F., Snellings, R. & Skibsted, J. (2024). Aqueous carbonation of aged blended Portland cement pastes: Impact of the Al/Si ratio on the structure of the alumina-silica gel. Cement and Concrete Research, 177, Article 107428. https://doi.org/10.1016/j.cemconres.2024.107428

Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Aqueous pyruvate partly dissociates under deep ultraviolet irradiation but is resilient to near ultraviolet excitation. Nature Communications, 15(1), Article 1978. https://doi.org/10.1038/s41467-024-46309-5, https://doi.org/10.1038/s41467-024-46309-5

Søgaard, A. B., Skovbo, F., Tvilum, A., Hansson, R. F. & Zelikin, A. N. (2024). Artificial Internalizing Receptor Affords Fast, Potent, Specific Drug Delivery to the Chemically Engineered Cells. Advanced Functional Materials, 34(33), Article 2400048. https://doi.org/10.1002/adfm.202400048

Baghaee Ivriq, S., Laursen, K., Møller Jørgensen, A., Mondal, T., Zamani, M., Rezaeiyan, Y., Corbett, B., Iversen, B. B. & Moradi, F. (2024). A System-Level Feasibility Study of a Lead-Free Ultrasonically Powered Light Delivery Implant for Optogenetics. Advanced Intelligent Systems , 6(3), Article 2300527. https://doi.org/10.1002/aisy.202300527

Santos, J., Cuellar, J., Pallarès, I., Byrd, E. J., Lends, A., Moro, F., Abdul-Shukkoor, M. B., Pujols, J., Velasco-Carneros, L., Sobott, F., Otzen, D. E., Calabrese, A. N., Muga, A., Pedersen, J. S., Loquet, A., Valpuesta, J. M., Radford, S. E. & Ventura, S. (2024). A Targetable N-Terminal Motif Orchestrates α-Synuclein Oligomer-to-Fibril Conversion. Journal of the American Chemical Society, 146(18), 12702-12711. https://doi.org/10.1021/jacs.4c02262

Jørgensen, P., Olsen, J., Johansen, M. B., von Buchwald, T. J., Hillers-Bendtsen, A. E., Mikkelsen, K. V. & Helgaker, T. (2024). A variational reformulation of molecular properties in electronic-structure theory. Science Advances, 10(17), Article eadn3454. https://doi.org/10.1126/sciadv.adn3454

Jensen, F. (2024). Basis Set Superposition Errors Are Partly Basis Set Imbalances. Journal of Chemical Theory and Computation, 20(2), 767-774. https://doi.org/10.1021/acs.jctc.3c01156

Sieborg, M. U., Nielsen, A. K. H., Ottosen, L. D. M., Daasbjerg, K. & Kofoed, M. V. W. (2024). Bio-integrated carbon capture and utilization: at the interface between capture chemistry and archaeal CO₂ reduction. Nature Communications, 15(1), Article 7492. https://doi.org/10.1038/s41467-024-51700-3

Rodriguez-Palomo, A., Østergaard, M. & Birkedal, H. (2024). Bone Hierarchical Structure: Heterogeneity and Uniformity. Advanced Functional Materials, 34(35), Article 2307026. https://doi.org/10.1002/adfm.202307026

Kjærgaard, E. R., Hasager, F., Petters, S. S., Glasius, M. & Bilde, M. (2024). Bubble-mediated generation of airborne nanoplastic particles. Environmental science. Processes & impacts, 26(7), 1216-1226. https://doi.org/10.1039/d4em00124a

Ozturk, T. N., König, M., Carpenter, T. S., Pedersen, K. B., Wassenaar, T. A., Ingólfsson, H. I. & Marrink, S. J. (2024). Building complex membranes with Martini 3. In M. Deserno & T. Baumgart (Eds.), Biophysical Approaches for the Study of Membrane Structure: Part B: Theory and Simulations (Vol. 701, pp. 237-285). Academic Press. https://doi.org/10.1016/bs.mie.2024.03.010

Wu, L., Yu, F., Luo, H., Zhu, M., Liao, S., Liu, J., Wu, C., Horchler, E. J., Ristovski, Z. & Zheng, J. (2024). Characterization of ammonia emissions from light-duty gasoline vehicles based on real-world driving and dynamometer measurements. Science of the Total Environment, 929, Article 172644. https://doi.org/10.1016/j.scitotenv.2024.172644

Bech, T. B., Donslund, B. S., Kristensen, S. K. & Skrydstrup, T. (2024). Chemical separation of polyurethane via acidolysis - combining acidolysis with hydrolysis for valorisation of aromatic amines. Green Chemistry, 26(14), 8395-8404. https://doi.org/10.1039/d4gc00819g

Andersen, D. G., Pedersen, A. B., Jørgensen, M. H., Montasell, M. C., Søgaard, A. B., Chen, G., Schroeder, A., Andersen, G. R. & Zelikin, A. N. (2024). Chemical Zymogens and Transmembrane Activation of Transcription in Synthetic Cells. Advanced Materials, 36(6), Article 2309385. https://doi.org/10.1002/adma.202309385

Engsvang, M., Knattrup, Y., Kubečka, J. & Elm, J. (2024). Chlorine Oxyacids Potentially Contribute to Arctic Aerosol Formation. Environmental Science and Technology Letters, 11(2), 101-105. https://doi.org/10.1021/acs.estlett.3c00902

Hillers-Bendtsen, A. E., Jensen, F., Mikkelsen, K. V., Olsen, J. & Jørgensen, P. (2024). Cluster perturbation theory IX: Perturbation series for the coupled cluster singles and doubles ground state energy. Journal of Chemical Physics, 160(10), Article 104108. https://doi.org/10.1063/5.0192388

Park, J. H., Cho, J. H., Marlton, F. P., Jang, H., Lee, J. H., Jang, J., Hwang, G. T., Pramanick, A., Jørgensen, M. R. V., Kim, M. G. & Jo, W. (2024). Composition-dependent spin exchange interaction for multiferroicity in perovskite Pb(Fe_1/2Nb_1/2)O₃. Journal of Applied Physics, 135(20), Article 204102. https://doi.org/10.1063/5.0211130

Salomonsen, C., Martyn, A., Quilbé, J., Björgvinsdóttir, Þ. N., Andersen, S. U., Radutoiu, S. & Glasius, M. (2024). Comprehensive characterization of the rhizosphere metabolome: A novel method for non-targeted analysis of Lotus japonicus root exudates. Rhizosphere, 32, Article 100957. https://doi.org/10.1016/j.rhisph.2024.100957

Borup, A. B., Bjerre-Christensen, N., Bertelsen, A. D., Mamakhel, A. H., Bondesgaard, M. & Iversen, B. B. (2024). Continuous-Flow Synthesis of Zn_1-xMn_xS Nanoparticles at Ambient Conditions. Inorganic Chemistry, 63(34), 15716-15723. Article 4c01629. https://doi.org/10.1021/acs.inorgchem.4c01629

Frank, S., Folkjær, M., Nielsen, M. L. N., Marks, M. J., Jeppesen, H. S., Ceccato, M., Billinge, S. J. L., Catalano, J. & Lock, N. (2024). Correlating the structural transformation and properties of ZIF-67 during pyrolysis, towards electrocatalytic oxygen evolution. Journal of Materials Chemistry A, 12(2), 781-794. https://doi.org/10.1039/d3ta05293a

Grünewald, T. A., Liebi, M. & Birkedal, H. (2024). Crossing length scales: X-ray approaches to studying the structure of biological materials. IUCrJ, 11(5), 708-722. https://doi.org/10.1107/S2052252524007838

Song, L., Zhang, J., Mamakhel, A. & Iversen, B. B. (2024). Crystal Structure, Electronic Transport, and Improved Thermoelectric Properties of Doped InTe. ACS Applied Electronic Materials, 6(5), 2925-2934. https://doi.org/10.1021/acsaelm.3c01064

Olsen, W. P., Courtade, G., Peña-Díaz, S., Nagaraj, M., Sønderby, T. V., Mulder, F. A. A., Malle, M. G. & Otzen, D. E. (2024). CsgA gatekeeper residues control nucleation but not stability of functional amyloid. Protein Science, 33(10), Article e5178. https://doi.org/10.1002/pro.5178

Dong, Z., Zhang, L., Li, L., Liu, S., Brikell, I., Kuja-Halkola, R., D'Onofrio, B. M., Butwicka, A., Gudbjornsdottir, S., Larsson, H., Chang, Z. & Du Rietz, E. (2024). Cumulative ADHD medication use and risk of type 2 diabetes in adults: a Swedish Register study. BMJ Mental Health, 27(1). https://doi.org/10.1136/bmjment-2024-301195

Thøgersen, J., Madzharova, F., Weidner, T. & Jensen, F. (2024). Deep-Ultraviolet Photoexcitation of Aqueous Urea Forms Carbamic Acid/Carbamate in Less Than One Picosecond. Chemistry - A European Journal, 30(39), Article e202400728. https://doi.org/10.1002/chem.202400728

Bregnhøj, M., Golbek, T. W., Madzharova, F. & Weidner, T. (2024). De Novo Design and Characterization of Amphiphilic Peptides with Basic Side Chains for Tailored Interfacial Chemistries. Langmuir : the ACS journal of surfaces and colloids, 40(37), 19404-19411. https://doi.org/10.1021/acs.langmuir.4c01654

Wang, M., Aalling-Frederiksen, O., Madsen, A., Jensen, K. M. Ø., Jørgensen, M. R. V., Gong, J., Rades, T. & Martins, I. C. B. (2024). Different or the same? exploring the physicochemical properties and molecular mobility of celecoxib amorphous forms. International Journal of Pharmaceutics, 661, Article 124470. https://doi.org/10.1016/j.ijpharm.2024.124470

Okhrimenko, D. V., Rasmussen, K. H., Bøtner, J. A., Ceccato, M., Foss, M. & Solvang, M. (2024). Dissolution behavior of stone wool fibers in synthetic lung fluids: Impact of iron oxidation state changes induced by heat treatment for binder removal. Toxicology Letters, 393, 33-46. https://doi.org/10.1016/j.toxlet.2024.01.007

Iakunkov, A., Nordenström, A., Boulanger, N., Li, G., Hennig, C., Jørgensen, M. R. V., Kantor, I. & Talyzin, A. V. (2024). Effect of Chain Length on Swelling Transitions of Brodie Graphite Oxide in Liquid 1-Alcohols. Advanced Materials Interfaces, 11(1), Article 2300554. https://doi.org/10.1002/admi.202300554

Hong, W., Jakobsen, J. B., Golo, D., Madsen, M. R., Ahlquist, M. S. G., Skrydstrup, T., Pedersen, S. U. & Daasbjerg, K. (2024). Effect of Variable Amine Pendants in the Secondary Coordination Sphere of Manganese Bipyridine Complexes on the Electrochemical CO₂ Reduction. ChemElectroChem, 11(4), Article e202300553. https://doi.org/10.1002/celc.202300553

Suteau, V., Zuzic, L., Hansen, D. H., Kjølbye, L. R., Sibilia, P., Gourdin, L., Briet, C., Thomas, M., Bourdeaud, E., Tricoire-Leignel, H., Schiøtt, B., Carato, P., Rodien, P. & Munier, M. (2024). Effects and risk assessment of halogenated bisphenol A derivatives on human follicle stimulating hormone receptor: An interdisciplinary study. Journal of Hazardous Materials, 479, Article 135619. https://doi.org/10.1016/j.jhazmat.2024.135619

Mallis, R. J., Lee, J. J., Berg, A. V. D., Brazin, K. N., Viennet, T., Zmuda, J., Cross, M., Radeva, D., Rodriguez-Mias, R., Villén, J., Gelev, V., Reinherz, E. L. & Arthanari, H. (2024). Efficient and economic protein labeling for NMR in mammalian expression systems: Application to a preT-cell and T-cell receptor protein. Protein Science, 33(4), Article e4950. https://doi.org/10.1002/pro.4950

Batista, G. M. F., Ebenbauer, R., Day, C., Bergare, J., Neumann, K. T., Hopmann, K. H., Elmore, C. S., Rosas-Hernández, A. & Skrydstrup, T. (2024). Efficient palladium-catalyzed electrocarboxylation enables late-stage carbon isotope labelling. Nature Communications, 15(1), Article 2592. https://doi.org/10.1038/s41467-024-46820-9

Bader, F., Lauvergnat, D. & Christiansen, O. (2024). Efficient vibrationally correlated calculations using n-mode expansion-based kinetic energy operators. Physical Chemistry Chemical Physics, 26(15), 11469-11481. https://doi.org/10.1039/d4cp00423j

Jamal, R. B., Bay Gosewinkel, U. & Ferapontova, E. E. (2024). Electrocatalytic aptasensor for bacterial detection exploiting ferricyanide reduction by methylene blue on mixed PEG/aptamer monolayers. Bioelectrochemistry, 156, Article 108620. https://doi.org/10.1016/j.bioelechem.2023.108620

Marks, M., Jeppesen, H., Nielsen, M. L. N., Kong, J., Ceccato, M., van der Veen, M. A., Bøjesen, E. D. & Lock, N. (2024). Elucidating Structural Disorder in Ultra-Thin Bi-Rich Bismuth Oxyhalide Photocatalysts. Small, 20(36), Article 2401413. https://doi.org/10.1002/smll.202401413

Waser, P., Faghtmann, J., Gil-Ordóñez, M., Kristensen, A., Svenningsen, E. B., Poulsen, T. & Jørgensen, K. A. (2024). Enantioselective Synthesis of α-Quaternary Isochromanes by Oxidative Aminocatalysis and Gold Catalysis. Chemistry - A European Journal, 30(38), Article e202401354. https://doi.org/10.1002/chem.202401354

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Department of Chemistry