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Institut for Kemi

Publikationer

Institut for Kemi er et af de mest produktive institutter på Aarhus Universitet. Der udgives et væld af artikler i videnskabelige tidsskrifter, som du finder herunder.

Publikationer fra Institut for Kemi

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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

Foskolou, I. P., Cunha, P. P., Sánchez-López, E., Minogue, E. A., Nicolet, B. P., Guislain, A., Jorgensen, C., Kostidis, S., Zandhuis, N. D., Barbieri, L., Bargiela, D., Nathanael, D., Tyrakis, P. A., Palazon, A., Giera, M., Wolkers, M. C. & Johnson, R. S. (2023). The two enantiomers of 2-hydroxyglutarate differentially regulate cytotoxic T cell function. Cell Reports, 42(9), Artikel 113013. https://doi.org/10.1016/j.celrep.2023.113013

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), Artikel 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, Artikel 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

Bai, Y., Taarning, E., Luthra, M., Lundegaard, L., Katerinopoulou, A., Falsig, H., Nova, A. & Martinez-Espin, J. (2023). Tracking Lattice Distortion Induced by Defects and Framework Tin in Beta Zeotypes. Journal of Physical Chemistry C, 127(38), 19278–19289. https://doi.org/10.1021/acs.jpcc.3c04751

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), Artikel 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), Artikel 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), Artikel 214107. https://doi.org/10.1063/5.0171912

Manrho, M., Krishnaswamy, S. R., Kriete, B., Patmanidis, I., de Vries, A. H., Marrink, S. J., Jansen, T. L. C., Knoester, J. & Pshenichnikov, M. S. (2023). Watching Molecular Nanotubes Self-Assemble in Real Time. Journal of the American Chemical Society, 145(41), 22494–22503. https://doi.org/10.1021/jacs.3c07103

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), Artikel 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, Artikel 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), Artikel 390. https://doi.org/10.3390/nano12030390

Märcher, A. & Gothelf, K. V. (2022). Affinity-Guided Site-Selective Labeling of Nanobodies with Aldehyde Handles. I G. Hussack & K. A. Henry (red.), Single-Domain Antibodies: Methods in Molecular Biology (Bind 2446, s. 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, Artikel 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), Artikel 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, Artikel 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), Artikel 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), Artikel 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), Artikel 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, Artikel 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), Artikel 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), Artikel 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, Artikel 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), Artikel 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), Artikel 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), Artikel 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

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), Artikel 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), Artikel 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

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Institut for Kemi