Publikationer

Institut for Kemi er et af de mest produktive institutter på universitetet. Der udgives et væld af artikler, som publikationslisten herunder vidner om.

Her vises de seneste publikationer fra videnskabelige tidsskrifter.

Seneste publikationer fra Institut for Kemi (2021 og 2020)

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Lyngsø, J. & Pedersen, J. S. (2021). A high-flux automated laboratory small-angle X-ray scattering instrument optimized for solution scattering. Journal of Applied Crystallography, 54, 295. https://doi.org/10.1107/S1600576720016209

Okhrimenko, D. V., Lakshtanov, L. Z., Olsson, M. H. M., Ceccato, M., Dalby, K. N., Rodriguez-Blanco, J. D., Andersson, M. P. & Stipp, S. L. S. (2021). Adsorption of nitrogen heterocyclic compounds (NHC) on soil minerals: Quinoline as an example. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 611, [125899]. https://doi.org/10.1016/j.colsurfa.2020.125899

Rosenkilde Laursen, K., Bønløkke, J. H., Bendstrup, E., Glasius, M., Bilde, M. & Sigsgaard, T. (2021). An RCT of acute health effects in COPD-patients after passive vape exposure from e-cigarettes. European Clinical Respiratory Journal, 8(1), [1861580 ]. https://doi.org/10.1080/20018525.2020.1861580

Madsen, N. K. K., Jensen, R. B. & Christiansen, O. (2021). Calculating vibrational excitation energies using tensor-decomposed vibrational coupled-cluster response theory. Journal of Chemical Physics, 154(5), [054113]. https://doi.org/10.1063/5.0037240

Soraggi, S., Riera Belles, M., Rajpert-De Meyts, E., Schierup, M. H. & Almstrup, K. (2021). Evaluating genetic causes of azoospermia: What can we learn from a complex cellular structure and single-cell transcriptomics of the human testis? Human Genetics, 140(1), 183-201. https://doi.org/10.1007/s00439-020-02116-8

Lin, S., Liu, H., Svenningsen, E. B., Wollesen, M., Jacobsen, K. M., Andersen, F. D., Moyano-Villameriel, J., Pedersen, C. N., Nørby, P., Tørring, T. & Poulsen, T. B. (2021). Expanding the antibacterial selectivity of polyether ionophore antibiotics through diversity-focused semisynthesis. Nature Chemistry, 13(1), 47-55. https://doi.org/10.1038/s41557-020-00601-1

Chen, E-Y., Peng, S-X., Peng, L., Di Michiel, M., Vaughan, G. B. M., Yu, Y., Yu, H-B., Ruta, B., Wei, S. & Liu, L. (2021). Glass-forming ability correlated with the liquid-liquid transition in Pd_42.5Ni_42.5P₁₅ alloy. Scripta Materialia, 193, 117-121. https://doi.org/10.1016/j.scriptamat.2020.10.042

Kronbo, C. H., Menescardi, F., Ceresoli, D. & Bremholm, M. (2021). High pressure structure studies of three SrGeO₃ polymorphs – Amorphization under pressure. Journal of Alloys and Compounds, 855, [157419]. https://doi.org/10.1016/j.jallcom.2020.157419

Svenningsen, E. B., Thyrsted, J., Blay-Cadanet, J., Liu, H., Lin, S., Villameriel, J. M., Olagnier, D., Idorn, M., Paludan, S. R., Holm, C. K. & Poulsen, T. B. (2021). Ionophore antibiotic X-206 is a potent inhibitor of SARS-CoV-2 infection in vitro. Antiviral Research, 185, [104988]. https://doi.org/10.1016/j.antiviral.2020.104988

Bharatiya, B., Wang, G., Rogers, S. E., Pedersen, J. S., Mann, S. & Briscoe, W. H. (2021). Mixed liposomes containing gram-positive bacteria lipids: Lipoteichoic acid (LTA) induced structural changes. Colloids and Surfaces B: Biointerfaces, 199, [111551]. https://doi.org/10.1016/j.colsurfb.2020.111551

Heide-Jørgensen, S., Budzik, M. K., Buhl, K. B., Hinge, M., Pedersen, S. U., Daasbjerg, K. & Kongsfelt, M. (2021). Mode I debonding under large deformation conditions including notes on cleavage-peeling transition. Engineering Fracture Mechanics, 241, [107413]. https://doi.org/10.1016/j.engfracmech.2020.107413

Svane, B., Tolborg, K., Kato, K. & Iversen, B. B. (2021). Multipole electron densities and structural parameters from synchrotron powder X-ray diffraction data obtained with a MYTHEN detector system (OHGI). Acta Crystallographica Section A: Foundations and Advances.

Sveegaard, S. G. & Kristiansen, R. (2021). Multivariate analysis in the selection of greener solvents for the bromination of 2-cyano-4’-methylbiphenyl. Organic Process Research & Development, 25(1), 68-74. https://doi.org/10.1021/acs.oprd.0c00326

Bertolotti, F., Carmona, F. J., Dal Sasso, G., Ramírez-Rodríguez, G. B., Delgado-López, J. M., Pedersen, J. S., Ferri, F., Masciocchi, N. & Guagliardi, A. (2021). On the amorphous layer in bone mineral and biomimetic apatite: A combined small- and wide-angle X-ray scattering analysis. Acta Biomaterialia, 120, 167-180. https://doi.org/10.1016/j.actbio.2020.04.026

Arlt, J., Singh, D. P., Thompson, J. O. F., Chatterley, A. S., Hockett, P., Stapelfeldt, H. & Reid, K. L. (2021). Photoelectron angular distributions from resonant two-photon ionisation of adiabatically aligned naphthalene and aniline molecules. Molecular Physics, 119(1-2), [e1836411]. https://doi.org/10.1080/00268976.2020.1836411

Jakobsen, P. & Jensen, F. (2021). Representing Exact Electron Densities by a Single Slater Determinant in Finite Basis Sets. Journal of Chemical Theory and Computation, 17(1), 269-276. https://doi.org/10.1021/acs.jctc.0c01029

Monge, P., Søgaard, A. B., Andersen, D. G., Chandrawati, R. & Zelikin, A. N. (2021). Synthetic chemical ligands and cognate antibodies for biorthogonal drug targeting and cell engineering. Advanced Drug Delivery Reviews, 170, 281-293. https://doi.org/10.1016/j.addr.2021.01.010

Jakubauskas, D., Jansen, M., Lyngsø, J., Cheng, Y., Pedersen, J. S. & Cárdenas, M. (2021). Toward reliable low-density lipoprotein ultrastructure prediction in clinical conditions: A small-angle X-ray scattering study on individuals with normal and high triglyceride serum levels. Nanomedicine: Nanotechnology, Biology, and Medicine, 31, [102318]. https://doi.org/10.1016/j.nano.2020.102318

Shi, J., Ma, S., Wei, S., Best, J. P., Stolpe, M., Beckmann, A., Mostafavi, S., Korte-Kerzel, S. & Markert, B. (2020). 3D pore structure characterization and hardness in a powder bed fusion-processed fully amorphous Zr-based bulk metallic glass. Materials Characterization, 162, [110178]. https://doi.org/10.1016/j.matchar.2020.110178

Schmitz, G., Klinting, E. L. & Christiansen, O. (2020). A Gaussian process regression adaptive density guided approach for potential energy surface construction. Journal of Chemical Physics, 153(6), [064105]. https://doi.org/10.1063/5.0015344

Cheng, B., Morstein, J., Ladefoged, L. K., Maesen, J. B., Schiøtt, B., Sinning, S. & Trauner, D. (2020). A Photoswitchable Inhibitor of the Human Serotonin Transporter. ACS Chemical Neuroscience, 11(9), 1231-1237. https://doi.org/10.1021/acschemneuro.9b00521

Pedersen, J. N., Lyngsø, J., Zinn, T., Otzen, D. & Pedersen, J. S. (2020). A complete picture of protein unfolding and refolding in surfactants. Chemical Science, 11(3), 699-712. https://doi.org/10.1039/C9SC04831F

Madsen, N. K. K., Jensen, A. B., Hansen, M. B. & Christiansen, O. (2020). A general implementation of time-dependent vibrational coupled-cluster theory. Journal of Chemical Physics, 153(23), [234109]. https://doi.org/10.1063/5.0034013

Sobhani, S., Hosseini Moghadam, H., Skibsted, J. & Sansano, J. M. (2020). A hydrophilic heterogeneous cobalt catalyst for fluoride-free Hiyama, Suzuki, Heck and Hirao cross-coupling reactions in water. Green Chemistry, 22(4), 1353-1365. https://doi.org/10.1039/c9gc03455b

Roth, N., Zhu, T. & Iversen, B. B. (2020). A simple model for vacancy order and disorder in defective half-Heusler systems. IUCrJ, 7(4), 673-680. https://doi.org/10.1107/S2052252520005977

Johansen, M. B., Gedde, O. R., Mayer, T. S. & Skrydstrup, T. (2020). Access to Aryl and Heteroaryl Trifluoromethyl Ketones from Aryl Bromides and Fluorosulfates with Stoichiometric CO. Organic Letters, 22(11), 4068–4072. https://doi.org/10.1021/acs.orglett.0c01117

Capelli, R., Lyu, W., Bolnykh, V., Meloni, S., Olsen, J. M. H., Rothlisberger, U., Parrinello, M. & Carloni, P. (2020). Accuracy of Molecular Simulation-Based Predictions of k_off Values: A Metadynamics Study. The Journal of Physical Chemistry Letters, 11(15), 6373-6381. https://doi.org/10.1101/2020.03.30.015396, https://doi.org/10.1021/acs.jpclett.0c00999

Krause, L., Tolborg, K., Grønbech, T. B. E., Sugimoto, K., Iversen, B. B. & Overgaard, J. (2020). Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector. Journal of Applied Crystallography, 53(3), 635-649. https://doi.org/10.1107/S1600576720003775

Hu, X. M., Mendoza, D., Madsen, M. R., Joulié, D., Lassalle-Kaiser, B., Robert, M., Pedersen, S. U., Skrydstrup, T. & Daasbjerg, K. (2020). Achieving Near-Unity CO Selectivity for CO₂ Electroreduction on an Iron-Decorated Carbon Material. ChemSusChem, 13(23), 6360-6369. https://doi.org/10.1002/cssc.202001311

Artiukhin, D., Klinting, E. L., König, C. & Christiansen, O. (2020). Adaptive density-guided approach to double incremental potential energy surface construction. Journal of Chemical Physics, 152(19), [194105]. https://doi.org/10.1063/5.0004686

Grinderslev, J. B., Ley, M. B., Lee, Y. S., Jepsen, L. H., Jørgensen, M., Cho, Y. W., Skibsted, J. & Jensen, T. R. (2020). Ammine Lanthanum and Cerium Borohydrides, M(BH₄)₃· nNH₃; Trends in Synthesis, Structures, and Thermal Properties. Inorganic Chemistry, 59(11), 7768-7778. https://doi.org/10.1021/acs.inorgchem.0c00817

Yan, Y., Grinderslev, J. B., Jo̷rgensen, M., Skov, L. N., Skibsted, J. & Jensen, T. R. (2020). Ammine Magnesium Borohydride Nanocomposites for All-Solid-State Magnesium Batteries. ACS Applied Energy Materials, 3(9), 9264-9270. https://doi.org/10.1021/acsaem.0c01599

Yan, Y., Grinderslev, J. B., Lee, Y. S., Jørgensen, M., Cho, Y. W., Černý, R. & Jensen, T. R. (2020). Ammonia-assisted fast Li-ion conductivity in a new hemiammine lithium borohydride, LiBH₄·1/2NH₃. Chemical Communications, 56(28), 3971-3974. https://doi.org/10.1039/c9cc09990e

Grinderslev, J. B., Lee, Y. S., Paskevicius, M., Møller, K. T., Yan, Y., Cho, Y. W. & Jensen, T. R. (2020). Ammonium-Ammonia Complexes, N₂H₇⁺, in Ammonium closo-Borate Ammines: Synthesis, Structure, and Properties. Inorganic Chemistry, 59(16), 11449-11458. https://doi.org/10.1021/acs.inorgchem.0c01257

Hammer, N., Christensen, M. L., Chen, Y., Naharro, D., Liu, F., Jørgensen, K. A. & Houk, K. N. (2020). An Experimental Stereoselective Photochemical [1s,3s]-Sigmatropic Silyl Shift and the Existence of Silyl/Allyl Conical Intersections. Journal of the American Chemical Society, 142(13), 6030-6035. https://doi.org/10.1021/jacs.9b11579

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Revideret 23.02.2021 -

Marianne Sommer

Publikationer

Seneste publikationer fra Institut for Kemi (2021 og 2020)

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