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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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Knudsen, C. G., Mørch, M. I. & Christensen, M. (2023). Texture formation in W-type hexaferrite by cold compaction of non-magnetic interacting anisotropic shaped precursor crystallites. Dalton Transactions, 52(2), 281-289. https://doi.org/10.1039/d2dt02091b

Thomas, S. P., Singh, A., Grosjean, A., Alhameedi, K., Grønbech, T. B. E., Piltz, R., Edwards, A. J. & Iversen, B. B. (2023). The Ambiguous Origin of Thermochromism in Molecular Crystals of Dichalcogenides: Chalcogen Bonds versus Dynamic Se−Se/Te−Te Bonds. Angewandte Chemie - International Edition, 62(45), Article e202311044. https://doi.org/10.1002/anie.202311044

Klausen, F. B., Amidi, A., Kjærgaard, S. K., Schlünssen, V., Ravn, P., Østergaard, K., Gutzke, V. H., Glasius, M., Grønborg, T. K., Hansen, S. N., Zachariae, R., Wargocki, P. & Sigsgaard, T. (2023). The effect of air quality on sleep and cognitive performance in school children aged 10-12 years: a double-blinded, placebo-controlled, crossover trial. International journal of occupational medicine and environmental health, 36(2), Article 156406. https://doi.org/10.13075/ijomeh.1896.02032

Fehér, B., Wacha, A., Jezsó, B., Bóta, A., Pedersen, J. S. & Varga, I. (2023). The evolution of equilibrium poly(styrene sulfonate) and dodecyl trimethylammonium bromide supramolecular structure in dilute aqueous solution with increasing surfactant binding. Journal of Colloid and Interface Science, 651, 992-1007. https://doi.org/10.1016/j.jcis.2023.08.002

Pittkowski, R., Clausen, C. M., Chen, Q., Stoian, D., van Beek, W., Bucher, J., Welten, R. L., Schlegel, N., Mathiesen, J. K., Nielsen, T. M., Du, J., Rosenkranz, A. W., Bøjesen, E. D., Rossmeisl, J., Jensen, K. M. Ø. & Arenz, M. (2023). The more the better: on the formation of single-phase high entropy alloy nanoparticles as catalysts for the oxygen reduction reaction. EES Catalysis, 1(6), 950-960. https://doi.org/10.1039/D3EY00201B

Thøgersen, J., Weidner, T. & Jensen, F. (2023). The primary photolysis of aqueous carbonate di-anions. Physical Chemistry Chemical Physics, 25(20), 14104-14116. https://doi.org/10.1039/d3cp00236e

Gao, Q., Grzyb, K., Gamon, L. F., Ogilby, P. R., Pedzinski, T. & Davies, M. J. (2023). The Structure of Model and Peptide Disulfides Markedly Affects their Reactivity and Products formed with Singlet Oxygen. Free Radical Biology and Medicine, 207, 320-329. https://doi.org/10.1016/j.freeradbiomed.2023.08.024

Yesiltas, B., Garcia-Moreno, P. J., Sørensen, A.-D. M., Banerjee, C., Anankanbil, S., Guo, Z., Ogilby, P. R. & Jacobsen, C. (2023). The Use of Soy and Egg Phosphatidylcholines Modified with Caffeic Acid Enhances the Oxidative Stability of High-Fat (70%) Fish Oil-in-Water Emulsions. Colloids and Interfaces , 7(3), Article 60. https://doi.org/10.3390/colloids7030060

Graae, K. V., Li, X., Sørensen, D. R., Ayerbe, E., Boyano, I., Sheptyakov, D., Jørgensen, M. R. V. & Norby, P. (2023). Time and space resolved operando synchrotron X-ray and Neutron diffraction study of NMC811/Si–Gr 5 Ah pouch cells. Journal of Power Sources, 570, Article 232993. https://doi.org/10.1016/j.jpowsour.2023.232993

Engsvang, M., Kubečka, J. & Elm, J. (2023). Toward Modeling the Growth of Large Atmospheric Sulfuric Acid-Ammonia Clusters. ACS Omega, 8(38), 34597-34609. https://doi.org/10.1021/acsomega.3c03521

Støckler, L. J., Krause, L., Svane, B., Tolborg, K., Richter, B., Takahashi, S., Fujita, T., Kasai, H., Sugahara, M., Inoue, I., Nishibori, E. & Iversen, B. B. (2023). Towards pump-probe single-crystal XFEL refinements for small-unit-cell systems. IUCrJ, 10(Part 1), 103-117. https://doi.org/10.1107/S2052252522011782

Søgaard, A. B., Pedersen, A. B., Løvschall, K. B., Monge, P., Jakobsen, J. H., Džabbarova, L., Nielsen, L. F., Stevanovic, S., Walther, R. & Zelikin, A. N. (2023). Transmembrane signaling by a synthetic receptor in artificial cells. Nature Communications, 14(1), Article 1646. https://doi.org/10.1038/s41467-023-37393-0

Strunge, K., Burgin, T., Golbek, T. W., Roeters, S. J., Pfaendtner, J. & Weidner, T. (2023). Umbrella-like Helical Structure of α-Synuclein at the Air-Water Interface Observed with Experimental and Theoretical Sum Frequency Generation Spectroscopy. The Journal of Physical Chemistry Letters, 14(49), 11030-11035. https://doi.org/10.1021/acs.jpclett.3c02543

Jensen, F. (2023). Unifying Charge-Flow Polarization Models. Journal of Chemical Theory and Computation, 19(13), 4047-4073. https://doi.org/10.1021/acs.jctc.3c00341

Subrahmaniam, H. J., Salomonsen, C. L., Radutoiu, S., Ehlers, B. & Glasius, M. (2023). Unraveling the secrets of plant roots: Simplified method for large scale root exudate sampling and analysis in Arabidopsis thaliana [version 3; peer review: 2 approved, 1 approved with reservations]. Open Research Europe, 3(12), Article 12. https://doi.org/10.12688/openreseurope.15377.2

Borup, A. B., Bertelsen, A. D., Kløve, M., Christensen, R. S., Broge, N. L. N., Dippel, A.-C., Jørgensen, M. R. V. & Iversen, B. B. (2023). Unveiling the formation mechanism of Pb_xPd_y intermetallic phases in solvothermal synthesis using in situ X-ray total scattering. Nanoscale, 15(45), 18481-18488 . https://doi.org/10.1039/d3nr03901c

Bader, F., Lauvergnat, D. & Christiansen, O. (2023). Vibrationally correlated calculations in polyspherical coordinates: Taylor expansion-based kinetic energy operators. Journal of Chemical Physics, 159(21), Article 214107. https://doi.org/10.1063/5.0171912

Ho, T. M., Abik, F., Hietala, S., Isaza Ferro, E., Pitkänen, L., Juhl, D. W., Vosegaard, T., Kilpeläinen, P. O. & Mikkonen, K. S. (2023). Wood lignocellulosic stabilizers: effect of their characteristics on stability and rheological properties of emulsions. Cellulose, 30(2), 753-773. https://doi.org/10.1007/s10570-022-04958-z

Mahía, A., Kiib, A. E., Nisavic, M., Svenningsen, E. B., Palmfeldt, J. & Poulsen, T. B. (2023). α-Lactam Electrophiles for Covalent Chemical Biology. Angewandte Chemie - International Edition, 62(26), Article e202304142. https://doi.org/10.1002/anie.202304142

Nielsen, A. B. & Nielsen, N. C. (2022). Accurate analysis and perspectives for systematic design of magnetic resonance experiments using single-spin vector and exact effective Hamiltonian theory. Journal of Magnetic Resonance Open, 12-13, Article 100064. https://doi.org/10.1016/j.jmro.2022.100064

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), Article 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. https://doi.org/10.1007/978-1-0716-2075-5_17

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, Article 886206. https://doi.org/10.3389/fmicb.2022.886206

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

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), Article 243. https://doi.org/10.1617/s11527-022-02080-x

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

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, Article 122499. https://doi.org/10.1016/j.fuel.2021.122499

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), Article 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), Article e202200046. https://doi.org/10.1002/cmtd.202200046

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), Article 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, Article 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

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), Article 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), Article 075004. https://doi.org/10.1088/1367-2630/ac8113

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, Article 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 & 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), Article 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), Article e202114303. https://doi.org/10.1002/anie.202114303

Kayrouz, C. M., Huang, J., Hauser, N. & Seyedsayamdost, M. R. (2022). Biosynthesis of selenium-containing small molecules in diverse microorganisms. Nature, 610(7930), 199-204. https://doi.org/10.1038/s41586-022-05174-2

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), Article 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), Article 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), Article 6275. https://doi.org/10.3390/molecules27196275

Displaying results 401 to 450 out of 4948

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Department of Chemistry