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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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Møller, K. V., Nguyen, H. T. T., Mørch, M. G. M., Hesselager, M. O., Mulder, F. A. A., Fuursted, K. & Olsen, A. (2022). A Lactobacilli diet that confers MRSA resistance causes amino acid depletion and increased antioxidant levels in the C. elegans host. Frontiers in Microbiology, 13, [886206]. https://doi.org/10.3389/fmicb.2022.886206

Kong, J., Li, L., Liu, J., Marlton, F. P., Jørgensen, M. R. V. & Pramanick, A. (2022). A Local Atomic Mechanism for Monoclinic-Tetragonal Phase Boundary Creation in Li-Doped Na_0.5K_0.5NbO₃Ferroelectric Solid Solution. Inorganic Chemistry, 61(10), 4335-4349. https://doi.org/10.1021/acs.inorgchem.1c03501

Barzgar, S., Yan, Y., Tarik, M., Skibsted, J., Ludwig, C. & Lothenbach, B. (2022). A long-term study on structural changes in calcium aluminate silicate hydrates. Materials and Structures/Materiaux et Constructions, 55(10), [243]. https://doi.org/10.1617/s11527-022-02080-x

Pedersen, J. S., Møller, T. L., Raak, N. & Corredig, M. (2022). A model on an absolute scale for the small-angle X-ray scattering from bovine casein micelles. Soft Matter, 47, 8613-8625. https://doi.org/10.1039/D2SM00724J

Chacón-Parra, A., Lewis, D., Glasius, M. & van Eyk, P. (2022). A multi-component reaction kinetics model for the hydrothermal liquefaction of carbohydrates and co-liquefaction to produce 5-ethoxymethyl furfural. Fuel, 311, [122499]. https://doi.org/10.1016/j.fuel.2021.122499

Nielsen, C. L., Martinez Turtos, R., Bondesgaard, M., Nyemann, J. S., Jensen, M. L., Iversen, B. B., Muren, L., Julsgaard, B. & Balling, P. (2022). A novel nano-composite material for optically stimulated luminescence dosimetry. Nano Letters, 22(4), 1566-1572. https://doi.org/10.1021/acs.nanolett.1c04384

Kim, B. B., Wu, H., Hao, Y. A., Pan, M., Chavarha, M., Zhao, Y., Westberg, M., St-Pierre, F., Wu, J. C. & Lin, M. Z. (2022). A red fluorescent protein with improved monomericity enables ratiometric voltage imaging with ASAP3. Scientific Reports, 12(1), [3678]. https://doi.org/10.1038/s41598-022-07313-1

Cherepanov, I. N., Bighin, G., Schouder, C. A., Chatterley, A. S., Stapelfeldt, H. & Lemeshko, M. (2022). A simple model for high rotational excitations of molecules in a superfluid. New Journal of Physics, 24(7), [075004]. https://doi.org/10.1088/1367-2630/ac8113

Fehér, B., Mihály, J., Demeter, A., Almásy, L., Wacha, A., Varga, Z., Varga, I., Pedersen, J. S. & Bóta, A. (2022). Advancement of Fluorescent and Structural Properties of Bovine Serum Albumin-Gold Bioconjugates in Normal and Heavy Water with pH Conditioning and Ageing. Nanomaterials, 12(3), [390]. https://doi.org/10.3390/nano12030390

Märcher, A. & Gothelf, K. V. (2022). Affinity-Guided Site-Selective Labeling of Nanobodies with Aldehyde Handles. In G. Hussack & K. A. Henry (Eds.), Single-Domain Antibodies: Methods in Molecular Biology (Vol. 2446, pp. 345-356). Humana Press. Methods in Molecular Biology Vol. 2446 https://doi.org/10.1007/978-1-0716-2075-5_17

Dinesen, A., Winther, A., Wall, A., Märcher, A., Palmfeldt, J., Chudasama, V., Wengel, J., Gothelf, K. V., Baker, J. R. & Howard, K. A. (2022). Albumin Biomolecular Drug Designs Stabilized through Improved Thiol Conjugation and a Modular Locked Nucleic Acid Functionalized Assembly. Bioconjugate Chemistry, 33(2), 333-342. https://doi.org/10.1021/acs.bioconjchem.1c00561

Thomas-Hunt, J., Povlsen, A., Vijayan Pillai, H., Knudsen, C. G., H. Gjørup, F. & Christensen, M. (2022). Alignment of strontium hexaferrite, by cold compaction of anisotropic non-magnetically interacting crystallites. Dalton Transactions, 51(10), 3884-3893. https://doi.org/10.1039/D2DT00062H

Zhou, Q., Thøgersen, M. K., Rezayee, N. M., Jørgensen, K. A. & Houk, K. N. (2022). Ambimodal Bispericyclic [6 + 4]/[4 + 6] Transition State Competes with Diradical Pathways in the Cycloheptatriene Dimerization: Dynamics and Experimental Characterization of Thermal Dimers. Journal of the American Chemical Society, 144(48), 22251-22261. https://doi.org/10.1021/jacs.2c10407

Liu, Y., Xie, H-B., Ma, F., Chen, J. & Elm, J. (2022). Amine-Enhanced Methanesulfonic Acid-Driven Nucleation: Predictive Model and Cluster Formation Mechanism. Environmental Science & Technology, 56(12), 7751-7760. https://doi.org/10.1021/acs.est.2c01639

Dal Sasso, G., Dalconi, M. C., Ferrari, G., Pedersen, J. S., Tamburini, S., Bertolotti, F., Guagliardi, A., Bruno, M., Valentini, L. & Artioli, G. (2022). An Atomistic Model Describing the Structure and Morphology of Cu-Doped C-S-H Hardening Accelerator Nanoparticles. Nanomaterials, 12(3), [342]. https://doi.org/10.3390/nano12030342

Sørensen, D. R., Drejer, A. Ø., Heere, M., Senyshyn, A., Frontzek, M., Hansen, T., Didier, C., Peterson, V. K., Bomholdt Ravnsbæk, D. & Jørgensen, M. R. V. (2022). An Easy-to-Use Custom-Built Cell for Neutron Powder Diffraction Studies of Rechargeable Batteries. Chemistry-Methods, 2(10), [e202200046]. https://doi.org/10.1002/cmtd.202200046

Hawkins, B. A., Du, J. J., Lai, F., Stanton, S. A., Williams, P. A., Groundwater, P. W., Platts, J. A., Overgaard, J. & Hibbs, D. E. (2022). An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization. RSC Advances, 12(25), 15670-15684. https://doi.org/10.1039/d1ra08389a

Grønbech, T. B. E., Tolborg, K., Ceresoli, D. & Iversen, B. B. (2022). Anharmonic motion and aspherical nuclear probability density functions in cesium halides. Physical Review B, 105(10), [104113]. https://doi.org/10.1103/PhysRevB.105.104113

Wei, S. (2022). Anomalous liquids on a new landscape: From water to phase-change materials. Journal of Non-Crystalline Solids: X, 14, [100094]. https://doi.org/10.1016/j.nocx.2022.100094

Trinderup, H. H., Sandgaard, T. L. P., Juul-Madsen, L. & Jensen, H. H. (2022). Anomeric Thioglycosides Give Different Anomeric Product Distributions under NIS/TfOH Activation. Journal of Organic Chemistry, 87(6), 4154-4167. https://doi.org/10.1021/acs.joc.1c03001

Hasegawa, H., Walmsley, T., Matsuda, A., Morishita, T., Madsen, L. B., Jensen, F., Tolstikhin, O. I. & Hishikawa, A. (2022). Asymmetric Dissociative Tunneling Ionization of Tetrafluoromethane in ω − 2ω Intense Laser Fields. Frontiers in chemistry, 10, [857863]. https://doi.org/10.3389/fchem.2022.857863

Fu, Z., Xie, H. B., Elm, J., Liu, Y., Fu, Z. & Chen, J. (2022). Atmospheric Autoxidation of Organophosphate Esters. Environmental Science and Technology, 56(11), 6944–6955. https://doi.org/10.1021/acs.est.1c04817

Xue, J., Ma, F., Elm, J., Chen, J. & Xie, H-B. (2022). Atmospheric oxidation mechanism and kinetics of indole initiated by •OH and •Cl: a computational study. Atmospheric Chemistry and Physics, 22(17), 11543-11555. https://doi.org/10.5194/acp-22-11543-2022

Htet, C. S., Nayak, S., Manjón-Sanz, A., Liu, J., Kong, J., Sørensen, D. R., Marlton, F. P., Jørgensen, M. R. V. & Pramanick, A. (2022). Atomic structural mechanism for ferroelectric-antiferroelectric transformation in perovskite NaNbO₃. Physical Review B, 105(17), [174113]. https://doi.org/10.1103/PhysRevB.105.174113

Goesten, M. (2022). Be–Be π-Bonding and Predicted Superconductivity in MBe₂(M=Zr, Hf). Angewandte Chemie International Edition, 61(4), [e202114303]. https://doi.org/10.1002/anie.202114303

Ladefoged, L. K., Koch, R., Biggin, P. C. & Schiøtt, B. (2022). Binding and Activation of Serotonergic G-Protein Coupled Receptors by the Multimodal Antidepressant Vortioxetine. ACS Chemical Neuroscience, 13(8), 1129-1142. https://doi.org/10.1021/acschemneuro.1c00029

Højlund, M. G., Jensen, A. B., Zoccante, A. & Christiansen, O. (2022). Bivariational time-dependent wave functions with biorthogonal adaptive basis sets: General formulation and regularization of equations of motion through polar decomposition. Journal of Chemical Physics, 157(23), [234104]. https://doi.org/10.1063/5.0127431

Wittig, N. K. & Birkedal, H. (2022). Bone hierarchical structure: spatial variation across length scales. Acta crystallographica Section B, Structural science, crystal engineering and materials, B78(Part 3, Number 1), 305-311. https://doi.org/10.1107/S2052520622001524

Mathiesen, J. K., Bøjesen, E. D., Pedersen, J. K., Kjær, E. T. S., Juelsholt, M., Cooper, S., Quinson, J., Anker, A. S., Cutts, G., Keeble, D. S., Thomsen, M. S., Rossmeisl, J. & Jensen, K. M. Ø. (2022). Breaking with the Principles of Coreduction to Form Stoichiometric Intermetallic PdCu Nanoparticles. Small Methods, 6(6), [2200420]. https://doi.org/10.1002/smtd.202200420

Chatterley, A. S., Laity, P., Holland, C., Weidner, T., Woutersen, S. & Giubertoni, G. (2022). Broadband Multidimensional Spectroscopy Identifies the Amide II Vibrations in Silkworm Films. Molecules, 27(19), [6275]. https://doi.org/10.3390/molecules27196275

Christensen, O., Zhao, S., Sun, Z., Bagger, A., Lauritsen, J. V., Pedersen, S. U., Daasbjerg, K. & Rossmeisl, J. (2022). Can the CO₂Reduction Reaction Be Improved on Cu: Selectivity and Intrinsic Activity of Functionalized Cu Surfaces. ACS Catalysis, 12(24), 15737-15749. https://doi.org/10.1021/acscatal.2c04200

Köhn, A. & Olsen, J. (2022). Capabilities and limits of the unitary coupled-cluster approach with generalized two-body cluster operators. Journal of Chemical Physics, 157(12), [124110]. https://doi.org/10.1063/5.0104815

Franco, F., Meninno, S., Overgaard, J., Rossi, S., Benaglia, M. & Lattanzi, A. (2022). Catalytic Enantioselective Entry to Triflones Featuring a Quaternary Stereocenter. Organic Letters, 24(24), 4371-4376. https://doi.org/10.1021/acs.orglett.2c01589

Zhao, S., Liang, H. Q., Hu, X. M., Li, S. & Daasbjerg, K. (2022). Challenges and Prospects in the Catalytic Conversion of Carbon Dioxide to Formaldehyde. Angewandte Chemie - International Edition, 61(46), [e202204008]. https://doi.org/10.1002/anie.202204008

Nie, S. & Skibsted, J. (2022). Characterization of Monochromate and Hemichromate AFm Phases and Chromate-Containing Ettringite by¹H,²⁷Al, and⁵³Cr MAS NMR Spectroscopy. Minerals, 12(3), [371]. https://doi.org/10.3390/min12030371

Skibsted, J. (2022). Characterization of supplementary cementitious materials and their quantification in cement blends by solid-state NMR. In Industrial Waste: Characterization, Modification and Applications of Residues (pp. 3-32). De Gruyter. De Gruyter STEM https://doi.org/10.1515/9783110674941-001

Jørgensen, L. R. & Iversen, B. B. (2022). Characterizing thermoelectric stability. Dalton Transactions, 51(10), 3807-3816. https://doi.org/10.1039/d1dt04001d

Kjaersgaard, N. L., Nielsen, T. B. & Gothelf, K. V. (2022). Chemical Conjugation to Less Targeted Proteinogenic Amino Acids. ChemBioChem, 23(19), [e202200245]. https://doi.org/10.1002/cbic.202200245

Glasius, M., Thomsen, D., Wang, K., Iversen, L. S., Duan, J. & Huang, R. J. (2022). Chemical characteristics and sources of organosulfates, organosulfonates, and carboxylic acids in aerosols in urban Xi'an, Northwest China. Science of the total Environment, 810, [151187]. https://doi.org/10.1016/j.scitotenv.2021.151187

Singh, G., Phalgune, U. D., Madhu, P. K., Nielsen, N. C. & Ganapathy, S. (2022). Chemical shielding and electric field gradient tensors of disodium 5′-adenosine triphosphate trihydrate determined by solid-state NMR spectroscopy and ab initio calculations. Journal of Magnetic Resonance, 10-11. https://doi.org/10.1016/j.jmro.2022.100051

Montasell, M. C., Monge, P., Carmali, S., Dias Loiola, L. M., Andersen, D. G., Løvschall, K. B., Søgaard, A. B., Kristensen, M. M., Pütz, J. M. & Zelikin, A. N. (2022). Chemical zymogens for the protein cysteinome. Nature Communications, 13(1), [4861]. https://doi.org/10.1038/s41467-022-32609-1

HOyer, N. M., Kjeldal, F. O., Hillers-Bendtsen, A. E., Mikkelsen, K. V., Olsen, J. & JOrgensen, P. (2022). Cluster perturbation theory. VI. Ground-state energy series using the Lagrangian. Journal of Chemical Physics, 157(2), [024106]. https://doi.org/10.1063/5.0082583

Olsen, J., Hillers-Bendtsen, A. E., Kjeldal, F. Ø., Høyer, N. M., Mikkelsen, K. V. & Jørgensen, P. (2022). Cluster perturbation theory. VII. The convergence of cluster perturbation expansions. Journal of Chemical Physics, 157(2), [024107]. https://doi.org/10.1063/5.0082584

Hillers-Bendtsen, A. E., Høyer, N. M., Kjeldal, F. Ø., Mikkelsen, K. V., Olsen, J. & Jørgensen, P. (2022). Cluster perturbation theory. VIII. First order properties for a coupled cluster state. Journal of Chemical Physics, 157(2), [024108]. https://doi.org/10.1063/5.0082585

Elm, J. (2022). Clusteromics III: Acid Synergy in Sulfuric Acid-Methanesulfonic Acid-Base Cluster Formation. ACS Omega, 7(17), 15206-15214. https://doi.org/10.1021/acsomega.2c01396

Knattrup, Y. & Elm, J. (2022). Clusteromics IV: The Role of Nitric Acid in Atmospheric Cluster Formation. ACS Omega, 7(35), 31551–31560. https://doi.org/10.1021/acsomega.2c04278

Shyam, P., Mørch, M., Eikeland, A. Z., Ahlburg, J., Mamakhel, A., Saura-Múzquiz, M. & Christensen, M. (2022). Combined characterization approaches to investigate magnetostructural effects in exchange-spring ferrite nanocomposite magnets. Materials Chemistry Frontiers, 6(17), 2422-2437. https://doi.org/10.1039/d2qm00091a

Birkedal, H. (2022). Comment on Quantitative Evaluation of Osteocyte Morphology and Bone Anisotropic Extracellular Matrix in Rat Femur. Calcified Tissue International, 110(1), 143-143. https://doi.org/10.1007/s00223-021-00902-8

Bertelsen, A. D., Hansen, A. R., Broge, N. L. N., Mamakhel, A., Bondesgaard, M. & Iversen, B. B. (2022). Composition space of PtIrPdRhRu high entropy alloy nanoparticles synthesized by solvothermal reactions. Chemical communications (Cambridge, England), 58(91), 12672-12675. https://doi.org/10.1039/d2cc04827b

Displaying results 1 to 50 out of 230

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Revised 12.01.2023

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Marianne Sommer