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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 the Department of Chemistry

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Srivastava, D., Vosegaard, T., Massiot, D. & Grandinetti, P. J. (2020). Core Scientific Dataset Model: A lightweight and portable model and file format for multi-dimensional scientific data. PLoS One, 15(1), Article e0225953. https://doi.org/10.1371/journal.pone.0225953

Hölscher, J., Andersen, H. L., Saura-Múzquiz, M., Garbus, P. G. & Christensen, M. (2020). Correlation between microstructure, cation distribution and magnetism in Ni_{1-: X}Zn_xFe₂O₄ nanocrystallites. CrystEngComm, 22(3), 515-524. https://doi.org/10.1039/c9ce01324e

Vilstrup, J., Simonsen, A., Birkefeldt, T., Strandbygård, D., Lyngsø, J., Pedersen, J. S. & Thirup, S. (2020). Crystal and solution structures of fragments of the human leucocyte common antigen-related protein. Acta Crystallographica Section D: Structural Biology, 76, 406-417. https://doi.org/10.1107/S2059798320003885

Deville, C., Folkjær, M., Reinholdt, P., Hvid, M. S., Lamagni, P., Borup, K., Sun, Z., Lauritsen, J. V., McKee, V., Jensen, K. M. Ø. & Lock, N. (2020). Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers. Nanoscale, 12(21), 11601-11611. https://doi.org/10.1039/d0nr01503b

Hjerrild, P., Tørring, T. & Poulsen, T. B. (2020). Dehydration reactions in polyfunctional natural products. Natural Product Reports, 37(8), 1043-1064. https://doi.org/10.1039/d0np00009d

Mcleod, D., Izzo, J. A., Jørgensen, D. K. B., Lauridsen, R. F. & Jørgensen, K. A. (2020). Development and Investigation of an Organocatalytic Enantioselective [10 + 2] Cycloaddition. ACS Catalysis, 10(18), 10784-10793. https://doi.org/10.1021/acscatal.0c03378

Donslund, A. S., Pedersen, S. S., Gaardbo, C., Neumann, K. T., Kingston, L., Elmore, C. S. & Skrydstrup, T. (2020). Direct Access to Isotopically Labeled Aliphatic Ketones Mediated by Nickel(I) Activation. Angewandte Chemie - International Edition, 59(21), 8099-8103. https://doi.org/10.1002/anie.201916391

Kronbo, C. H., Ottesen, M., Hansen, M. F., Ehrenreich-Petersen, E., Meng, Y. & Bremholm, M. (2020). Discovery of Rhombohedral NaIrO₃ Polymorph by In Situ High-Pressure Synthesis of High-Oxidation-State Materials Using Laser Heating in Diamond Anvil Cells. Inorganic Chemistry, 59(21), 15780-15787. https://doi.org/10.1021/acs.inorgchem.0c02233

Nielsen, T., Märcher, A., Drobňáková, Z., Hučko, M., Štengl, M., Balšánek, V., Wiberg, C., Nielsen, P. F., Nielsen, T. E., Gothelf, K. V. & Cló, E. (2020). Disulphide-mediated site-directed modification of proteins. Organic and Biomolecular Chemistry, 18(25), 4717-4722. https://doi.org/10.1039/d0ob00861c

Zajac, M., Skocek, J., Durdzinski, P., Bullerjahn, F., Skibsted, J. & Ben Haha, M. (2020). Effect of carbonated cement paste on composite cement hydration and performance. Cement and Concrete Research, 134, Article 106090. https://doi.org/10.1016/j.cemconres.2020.106090

Fehér, B., Lyngsø, J., Bartók, B., Mihály, J., Varga, Z., Mészáros, R., Pedersen, J. S., Bóta, A. & Varga, I. (2020). Effect of pH on the conformation of bovine serume albumin - gold bioconjugates. Journal of Molecular Liquids, 309, Article 113065. https://doi.org/10.1016/j.molliq.2020.113065

Dai, Z. & Skibsted, J. (2020). Effect of Temperature on the Hydration of White Portland Cement–Metakaolin Blends Studied by ²⁹Si and ²⁷Al MAS NMR. In S. Bishnoi (Ed.), Calcined Clays for Sustainable Concrete (pp. 283-292). Springer. https://doi.org/10.1007/978-981-15-2806-4_33

Jensen, T. G., Holmstrup, M., Madsen, R. B., Glasius, M., Trac, L. N., Mayer, P., Ehlers, B. & Slotsbo, S. (2020). Effects of α-pinene on life history traits and stress tolerance in the springtail Folsomia candida. Comparative Biochemistry and Physiology Part - C: Toxicology and Pharmacology, 229, Article 108681. https://doi.org/10.1016/j.cbpc.2019.108681

Saura-Múzquiz, M., Eikeland, A. Z., Stingaciu, M., Andersen, H. L., Granados-Miralles, C., Avdeev, M., Luzin, V. & Christensen, M. (2020). Elucidating the relationship between nanoparticle morphology, nuclear/magnetic texture and magnetic performance of sintered SrFe₁₂O₁₉ magnets. Nanoscale, 12(17), 9481-9494. https://doi.org/10.1039/d0nr01728k

McLeod, D., Cherubini-Celli, A., Sivasothirajah, N., McCulley, C. H., Christensen, M. L. & Jørgensen, K. A. (2020). Enantioselective 1,3-Dipolar [6+4] Cycloaddition of Pyrylium Ions and Fulvenes towards Cyclooctanoids. Chemistry - A European Journal, 26(50), 11417-11422. https://doi.org/10.1002/chem.202001369

Tang, H., Mamakhel, M. A. H. & Christensen, M. (2020). Enhancing the coercivity of SmCo₅ magnet through particle size control. Journal of Materials Chemistry C, 8(6), 2109-2116. https://doi.org/10.1039/C9TC06137A

Yang, T., Zelikin, A. N. & Chandrawati, R. (2020). Enzyme Mimics for the Catalytic Generation of Nitric Oxide from Endogenous Prodrugs. Small, 16(27), Article 1907635. https://doi.org/10.1002/smll.201907635

Madsen, M. R., Jakobsen, J. B., Rønne, M. H., Liang, H., Hammershøj, H. C. D., Nørby, P., Pedersen, S. U., Skrydstrup, T. & Daasbjerg, K. (2020). Evaluation of the Electrocatalytic Reduction of Carbon Dioxide using Rhenium and Ruthenium Bipyridine Catalysts Bearing Pendant Amines in the Secondary Coordination Sphere. Organometallics, 39(9), 1480-1490. https://doi.org/10.1021/acs.organomet.9b00815

Granados-Miralles, C., Quesada, A., Saura-Múzquiz, M., Andersen, H. L., Fernández, J. F. & Christensen, M. (2020). Expanding the tunability and applicability of exchange-coupled/decoupled magnetic nanocomposites. Materials Chemistry Frontiers, 4(4), 1222-1230. https://doi.org/10.1039/c9qm00713j

Damgaard-Møller, E., Krause, L. & Overgaard, J. (2020). Experimental Charge Densities from Multipole Modeling: Moving into the Twenty-First Century. In Structure and Bonding (pp. 145-182). Springer. https://doi.org/10.1007/430_2020_61

Ehrenreich-Petersen, E., Nielsen, M. B. & Bremholm, M. (2020). Experimental equation of state of 11 lanthanide nitrides (NdN to LuN) and pressure induced phase transitions in NdN, SmN, EuN, and GdN. Journal of Applied Physics, 128(13), Article 135902. https://doi.org/10.1063/5.0021591

Nielsen, L. S. & Bilde, M. (2020). Exploring controlling factors for sea spray aerosol production: temperature, inorganic ions and organic surfactants. Tellus B: Chemical and Physical Meteorology, 72(1). https://doi.org/10.1080/16000889.2020.1801305

Ahlburg, J. V., Granados-Miralles, C., Gjørup, F. H., Andersen, H. L. & Christensen, M. (2020). Exploring the direct synthesis of exchange-spring nanocomposites by reduction of CoFe₂O₄ spinel nanoparticles using in situ neutron diffraction. Nanoscale, 12(17), 9440-9451. https://doi.org/10.1039/d0nr00912a

Tolborg, K., Gatti, C. & Iversen, B. B. (2020). Expression and interactions of stereochemically active lone pairs and their relation to structural distortions and thermal conductivity. IUCrJ, 7(Pt 3), 480-489. https://doi.org/10.1107/S2052252520003619

Hansen, M. B., Madsen, N. K. K. & Christiansen, O. (2020). Extended vibrational coupled cluster: Stationary states and dynamics. Journal of Chemical Physics, 153(4), Article 044133. https://doi.org/10.1063/5.0015413

Buhl, K. B., Agergaard, A. H., Møller, R., Kongsfelt, M., Heide-Jørgensen, S., Budzik, M. K., Hinge, M., Pedersen, S. U. & Daasbjerg, K. (2020). Facile Access to Disulfide/Thiol Containing Poly(glycidyl methacrylate) Brushes as Potential Rubber Adhesive Layers. ACS Applied Polymer Materials, 2(6), 2380-2388. https://doi.org/10.1021/acsapm.0c00306

Mamakhel, M. A. H., Yu, J., Søndergaard-Pedersen, F. M., Hald, P. & Iversen, B. B. (2020). Facile Synthesis of Brookite TiO₂Nanoparticles. Chemical Communications, 56(95), 15084-15087. https://doi.org/10.1039/d0cc06795d

Mancini, A., Wieland, E., Geng, G., Dähn, R., Skibsted, J., Wehrli, B. & Lothenbach, B. (2020). Fe(III) uptake by calcium silicate hydrates. Applied Geochemistry, 113, Article 104460. https://doi.org/10.1016/j.apgeochem.2019.104460

Etheridge, J., Chao, W., Bøjesen, E. D., Esser, B., Krajnak, M., Li, W., Petersen, T. C. & Zheng, C. (2020). Finding meaning in 4D STEM: Strategies for extracting targeted specimen information. Microscopy and Microanalysis. https://doi.org/10.1017/S1431927620015597

Fu, Z., Xie, H. B., Elm, J., Guo, X., Fu, Z. & Chen, J. (2020). Formation of Low-Volatile Products and Unexpected High Formaldehyde Yield from the Atmospheric Oxidation of Methylsiloxanes. Environmental Science & Technology, 54(12), 7136-7145. https://doi.org/10.1021/acs.est.0c01090

Kassmannhuber, J., Mauri, S., Rauscher, M., Brait, N., Schöner, L., Witte, A., Weidner, T. & Lubitz, W. (2020). Freezing from the inside: Ice nucleation in Escherichia coli and Escherichia coli ghosts by inner membrane bound ice nucleation protein InaZ. Biointerphases, 15(3), Article 031003. https://doi.org/10.1116/1.5142174

Kjær, C., Hansson, R. F., Hedberg, C., Jensen, F., Jensen, H. H. & Nielsen, S. B. (2020). Gas-phase action and fluorescence spectroscopy of mass-selected fluorescein monoanions and two derivatives. Physical Chemistry Chemical Physics, 22(17), 9210-9215. https://doi.org/10.1039/d0cp00453g

Hoac, B., Østergaard, M., Wittig, N. K., Boukpessi, T., Buss, D. J., Chaussain, C., Birkedal, H., Murshed, M. & McKee, M. D. (2020). Genetic Ablation of Osteopontin in Osteomalacic Hyp Mice Partially Rescues the Deficient Mineralization Without Correcting Hypophosphatemia. Journal of Bone and Mineral Research (JBMR), 35(10), 2032-2048. https://doi.org/10.1002/jbmr.4101

Guo, X., Sarup, P. M., Jensen, J. D., Jihad, O., Kristensen, N. H., Mulder, F. A. A., Jahoor, A. & Jensen, J. (2020). Genetic Variance of Metabolomic Features and Their Relationship With Malting Quality Traits in Spring Barley. Frontiers in Plant Science, 11, Article 575467. https://doi.org/10.3389/fpls.2020.575467

Sommer, S., Gjerlevsen Nielsen, I. & Brummerstedt Iversen, B. (2020). Group 13 Precursor Structures and Their Effect on Oxide Nanocrystal Formation. Chemistry - A European Journal, 26(5), 1022-1026. https://doi.org/10.1002/chem.201904422

Dematteis, E. M., Jensen, S. R., Jensen, T. R. & Baricco, M. (2020). Heat capacity and thermodynamic properties of alkali and alkali-earth borohydrides. Journal of Chemical Thermodynamics, 143, Article 106055. https://doi.org/10.1016/j.jct.2020.106055

Norre, M. S., Gao, C., Dey, S., Gupta, S. K., Borah, A., Murugavel, R., Rajaraman, G. & Overgaard, J. (2020). High-Pressure Crystallographic and Magnetic Studies of Pseudo-D_5h Symmetric Dy(III) and Ho(III) Single-Molecule Magnets. Inorganic Chemistry, 59(1), 717-729. https://doi.org/10.1021/acs.inorgchem.9b02962

Thiel, A. M., Damgaard-Møller, E. & Overgaard, J. (2020). High-Pressure Crystallography as a Guide in the Design of Single-Molecule Magnets. Inorganic Chemistry, 59(3), 1682-1691. https://doi.org/10.1021/acs.inorgchem.9b02794

Kronbo, C. H., Jensen, L. R., Menescardi, F., Ceresoli, D. & Bremholm, M. (2020). High-pressure, low-temperature studies of phase transitions in SrRuO₃ – Absence of volume collapse. Journal of Solid State Chemistry, 287, Article 121360. https://doi.org/10.1016/j.jssc.2020.121360

Bremholm, M., Gunnlaugsson, H. P. & Jørgensen, J. E. (2020). High-pressure X-ray diffraction and Mössbauer spectroscopy study of Fe_1.087Te. Physica B: Condensed Matter, 578, Article 411875. https://doi.org/10.1016/j.physb.2019.411875

Chen, X., Yang, Z., Feng, S., Golbek, T. W., Xu, W., Butt, H. J., Weidner, T., Xu, Z., Hao, J. & Wang, Z. (2020). How Universal Is the Wetting Aging in 2D Materials. Nano Letters, 20(8), 5670-5677. https://doi.org/10.1021/acs.nanolett.0c00855

Rasmussen, F. R., Kubečka, J., Besel, V., Vehkamäki, H., Mikkelsen, K. V., Bilde, M. & Elm, J. (2020). Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters. The journal of physical chemistry. A, 124(25), 5253-5261. https://doi.org/10.1021/acs.jpca.0c02932

Joseph, S., Skibsted, J. & Cizer, Ö. (2020). Hydration of polyphase Ca₃SiO₅-Ca₃Al₂O₆ in the presence of gypsum and Na₂SO₄. Journal of the American Ceramic Society, 103(11), 6461-6474. https://doi.org/10.1111/jace.17321

Peru, F., Payandeh, S., Charalambopoulou, G., Jensen, T. R. & Steriotis, T. (2020). Hydrogen Sorption and Reversibility of the LiBH₄-KBH₄ Eutectic System Confined in a CMK-3 Type Carbon via Melt Infiltration. C-Journal of carbon research, 6(2), Article 19. https://doi.org/10.3390/c6020019

Souza dos Passos, J., Glasius, M. & Biller, P. (2020). Hydrothermal Co-Liquefaction of Synthetic Polymers and Miscanthus giganteus: Synergistic and Antagonistic Effects. ACS Sustainable Chemistry & Engineering, 8(51), 19051-19061. https://doi.org/10.1021/acssuschemeng.0c07317

Jørgensen, M., Jensen, S. R. H., Humphries, T. D., Rowles, M. R., Sofianos, M. V., Buckley, C. E., Jensen, T. R. & Paskevicius, M. (2020). Hydroxylated closo-Dodecaborates M₂B₁₂(OH)₁₂(M = Li, Na, K, and Cs); Structural Analysis, Thermal Properties, and Solid-State Ionic Conductivity. Journal of Physical Chemistry C, 124(21), 11340-11349. https://doi.org/10.1021/acs.jpcc.0c02523

Khazaee, A., Jahanshahi, R., Sobhani, S., Skibsted, J. & Sansano, J. M. (2020). Immobilized piperazine on the surface of graphene oxide as a heterogeneous bifunctional acid-base catalyst for the multicomponent synthesis of 2-amino-3-cyano-4H -chromenes. Green Chemistry, 22(14), 4604-4616. https://doi.org/10.1039/d0gc01274b

Nie, S., Thomsen, R. M. & Skibsted, J. (2020). Impact of Mg substitution on the structure and pozzolanic reactivity of calcium aluminosilicate (CaO-Al₂O₃-SiO₂) glasses. Cement and Concrete Research, 138, Article 106231. https://doi.org/10.1016/j.cemconres.2020.106231

Frank, M. S., Schmitz, G. & Hättig, C. (2020). Implementation of the iterative triples model CC3 for excitation energies using pair natural orbitals and Laplace transformation techniques. Journal of Chemical Physics, 153(3), Article 034109. https://doi.org/10.1063/5.0012597

Lakhotiya, H., Madsen, S. P., Nielsen, S. R., Vester-Petersen, J., Iversen, B. B., Balling, P. & Julsgaard, B. (2020). Improving Upconversion Efficiency by Photon Management in Self-Assembled Core/Shell Nanocrystal Films. The Journal of Physical Chemistry Part C, 124(41), 22357–22365. https://doi.org/10.1021/acs.jpcc.0c05179

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Department of Chemistry