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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

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

Wineinger, H. B., Smetana, V., Nayak, A., Qu, F., Mudring, A-V. & Rogers, R. D. (2022). Accessing Lanthanide Tricyanomethanide Coordination Polymers Using Ionic Liquids. Crystal Growth & Design, 22(4), 2372-2381. https://doi.org/10.1021/acs.cgd.1c01452

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

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

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

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

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

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

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

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

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

Jensen, F. (2022). Computational Chemistry: The Exciting Opportunities and the Boring Details. Israel Journal of Chemistry, 62(1-2), [e202100027]. https://doi.org/10.1002/ijch.202100027

Goesten, M., Xia, Y., Aschauer, U. & Amsler, M. (2022). Conformational Gap Control in CsTaS₃. Journal of the American Chemical Society, 144(8), 3398–3410. https://doi.org/10.1021/jacs.1c10947

Santorelli, A. & Gothelf, K. V. (2022). Conjugation of chemical handles and functional moieties to DNA during solid phase synthesis with sulfonyl azides. Nucleic Acids Research, 50(13), 7235-7246. https://doi.org/10.1093/nar/gkac566

Petters, S. S. (2022). Constraints on the Role of Laplace Pressure in Multiphase Reactions and Viscosity of Organic Aerosols. Geophysical Research Letters, 49(12), [e2022GL098959]. https://doi.org/10.1029/2022GL098959

Krishnaswamy, S. R., Gabrovski, I. A., Patmanidis, I., Stuart, M. C. A., de Vries, A. H. & Pshenichnikov, M. S. (2022). Cryogenic TEM imaging of artificial light harvesting complexes outside equilibrium. Scientific Reports, 12(1), 5552. [5552]. https://doi.org/10.1038/s41598-022-09496-z

Wili, N., Nielsen, A. B., Völker, L. A., Schreder, L., Nielsen, N. C., Jeschke, G. & Tan, K. O. (2022). Designing broadband pulsed dynamic nuclear polarization sequences in static solids. Science Advances, 8(28), [eabq0536]. https://doi.org/10.1126/sciadv.abq0536

Harms, M., Hansson, R. F., Carmali, S., Almeida-Hernández, Y., Sanchez-Garcia, E., Münch, J. & Zelikin, A. N. (2022). Dimerization of the Peptide CXCR4-Antagonist on Macromolecular and Supramolecular Protraction Arms Affords Increased Potency and Enhanced Plasma Stability. Bioconjugate Chemistry, 33(4), 594-607. https://doi.org/10.1021/acs.bioconjchem.2c00034

Skoryunov, R. V., Babanova, O. A., Soloninin, A. V., Grinderslev, J. B., Skripov, A. V. & Jensen, T. R. (2022). Dynamical properties of lithium borohydride – ammine composite LiBH₄·NH₃: A nuclear magnetic resonance study. Journal of Alloys and Compounds, 894, [162446]. https://doi.org/10.1016/j.jallcom.2021.162446

Jensen, R. B., Pedersen, S. P. & Zinner, N. T. (2022). Dynamical quantum phase transitions in a noisy lattice gauge theory. Physical Review B, 105(22), [224309]. https://doi.org/10.1103/PhysRevB.105.224309

Joseph, S., Skibsted, J. & Cizer, Ö. (2022). Effect of Water–Solid Mixing Sequence and Crystallization Water of Calcium Sulphate on the Hydration of C₃ A. Materials, 15(6), [2297]. https://doi.org/10.3390/ma15062297

Yan, Y., Yang, S. Y., Miron, G. D., Collings, I. E., L'Hôpital, E., Skibsted, J., Winnefeld, F., Scrivener, K. & Lothenbach, B. (2022). Effect of alkali hydroxide on calcium silicate hydrate (C-S-H). Cement and Concrete Research, 151, [106636]. https://doi.org/10.1016/j.cemconres.2021.106636

Zajac, M., Skibsted, J., Lothenbach, B., Bullerjahn, F., Skocek, J. & Ben Haha, M. (2022). Effect of sulfate on CO₂ binding efficiency of recycled alkaline materials. Cement and Concrete Research, 157, [106804]. https://doi.org/10.1016/j.cemconres.2022.106804

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Marianne Sommer