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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

Christensen, T. E. K., Østergaard, M., Gutowski, O., Dippel, A. C. & Birkedal, H. (2024). 3D distribution of biomineral and chitin matrix in the stomatopod dactyl club by high energy XRD-CT. Journal of Structural Biology, 216(4), Article 108136. https://doi.org/10.1016/j.jsb.2024.108136

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

Kubečka, J., Ayoubi, D., Tang, Z., Knattrup, Y., Engsvang, M., Wu, H. & Elm, J. (2024). Accurate modeling of the potential energy surface of atmospheric molecular clusters boosted by neural networks. Environmental science: Advances, 3(10), 1438-1451. https://doi.org/10.1039/d4va00255e

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

Larsen, E. M. H., Brock-Nannestad, T., Skibsted, J., Reinholdt, A. & Bendix, J. (2024). A homoleptic Ag^III complex stabilized by succinimidate ligands. Chemical Science, 15(43), 18067-18075. https://doi.org/10.1039/d4sc04843a

Laursen, A. P., Frandsen, J. P., Shyam, P., Mørch, M. I., Gjørup, F. H., Vijayan, H., Jørgensen, M. R. V. & Christensen, M. (2024). Aligned Permanent Magnet Made in Seconds: An In Situ Diffraction Study. Advanced Electronic Materials, 10(9), Article 2400077. https://doi.org/10.1002/aelm.202400077

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

Alcaina-Hernando, M., Malvacio, I., Ferraboschi, I., Huck-Iriart, C., Bianchera, A., Sala, S., Pedersen, J. S., Ferrer-Tasies, L., Pescina, S., Sissa, C., Ventosa, N. & Córdoba, A. (2024). A new plant-based drug delivery platform based on alkyl polyglucosides and β-sitosterol nanovesicles for topical delivery. Applied Materials Today, 41, Article 102467. https://doi.org/10.1016/j.apmt.2024.102467

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

Hundebøl, B. N. R. G., Rohde, P. D., Kristensen, T. N., Jensen, R. W. M., Vosegaard, T. & Sørensen, J. G. (2024). Bugs on Drugs: Paracetamol Exposure Reveals Genotype-Specific Generational Effects on Life History Traits in Drosophila melanogaster. Insects, 15(10), Article 763. https://doi.org/10.3390/insects15100763

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., Kjeldal, F. Ø., Høyer, N. M., Johansen, M. B., Juncker von Buchwald, T., Iuel Lunøe Dünweber, P. G., Olsen, L. H., Jensen, F., Olsen, J., Jørgensen, P. & Mikkelsen, K. V. (2024). Cluster perturbation theory: X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order. The Journal of Chemical Physics, 161(18), Article 184111. https://doi.org/10.1063/5.0234183

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

McRae, E. K. S., Wan, C. J. K., Kristoffersen, E. L., Hansen, K., Gianni, E., Gallego, I., Curran, J. F., Attwater, J., Holliger, P. & Andersen, E. S. (2024). Cryo-EM structure and functional landscape of an RNA polymerase ribozyme. Proceedings of the National Academy of Sciences (PNAS), 121(3), e2313332121. Article e2313332121. https://doi.org/10.1073/pnas.2313332121

Pedersen, C. N., Yang, F., Ita, S., Xu, Y., Akunuri, R., Trampari, S., Neumann, C. M. T., Desdorf, L. M., Schiøtt, B., Salvino, J. M., Mortensen, O. V., Nissen, P. & Shahsavar, A. (2024). Cryo-EM structure of the dopamine transporter with a novel atypical non-competitive inhibitor bound to the orthosteric site. Journal of Neurochemistry, 168(9), 2043-2055. https://doi.org/10.1111/jnc.16179

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

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

Goesten, M. G. & Schoop, L. M. (2024). Diradicals as Topological Charge Carriers in Metal-Organic Toy Model Pt₃(HIB)₂. Journal of the American Chemical Society, 146(43), 29599-29608. https://doi.org/10.1021/jacs.4c09993

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Department of Chemistry