Publikationer

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Publikationer fra Institut for Kemi

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Schmüser, L., Trefz, M., Roeters, S. J., Beckner, W., Pfaendtner, J., Otzen, D., Woutersen, S., Bonn, M., Schneider, D. & Weidner, T. (2021). Membrane Structure of Aquaporin Observed with Combined Experimental and Theoretical Sum Frequency Generation Spectroscopy. Langmuir : the ACS journal of surfaces and colloids, 37(45), 13452-13459. https://doi.org/10.1021/acs.langmuir.1c02206

Kolobov, N., Goesten, M. G. & Gascon, J. (2021). Metal–Organic Frameworks: Molecules or Semiconductors in Photocatalysis? Angewandte Chemie - International Edition, 60(50), 26038-26052. https://doi.org/10.1002/anie.202106342

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, Artikel 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, Artikel 107413. https://doi.org/10.1016/j.engfracmech.2020.107413

Golbek, T. W., Faase, R. A., Rasmussen, M. H., Tykwinski, R. R., Stryker, J. M., Ivar Andersen, S., Baio, J. E. & Weidner, T. (2021). Model Asphaltenes Adsorbed onto Methyl- And COOH-Terminated SAMs on Gold. Langmuir, 37(32), 9785-9792. https://doi.org/10.1021/acs.langmuir.1c01338

Octaviani, M., Shrivastava, M., Zaveri, R. A., Zelenyuk, A., Zhang, Y., Rasool, Q. Z., Bell, D. M., Riva, M., Glasius, M. & Surratt, J. D. (2021). Modeling the Size Distribution and Chemical Composition of Secondary Organic Aerosols during the Reactive Uptake of Isoprene-Derived Epoxydiols under Low-Humidity Condition. ACS Earth and Space Chemistry, 5(11), 3247-3257. https://doi.org/10.1021/acsearthspacechem.1c00303

Gradisěk, A., Jørgensen, M., Paskevicius, M., Hansen, B. R. S. & Jensen, T. R. (2021). Molecular dynamics in Ag₂B₁₂H₁₂ studied by nuclear magnetic resonance. Journal of Physical Chemistry C, 125(10), 5534-5541. https://doi.org/10.1021/acs.jpcc.1c00528

Bavnhøj, L., Paulsen, P. A., Flores-Canales, J. C., Schiøtt, B. & Pedersen, B. P. (2021). Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H⁺ symporter STP10. Nature Plants, 7(10), 1409-1419. https://doi.org/10.1038/s41477-021-00992-0

Bregnhøj, M. & Ogilby, P. R. (2021). Molecular Oxygen in Photoresponsive Organic Materials. I J. Lissau & M. Madsen (red.), Emerging Strategies to Reduce Transmission and Thermalization Losses in Solar Cells: Redefining the Limits of Solar Power Conversion Efficiency (s. 121-148). Springer. https://doi.org/10.1007/978-3-030-70358-5_7

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 of Crystallography, 77(2), 85-95. https://doi.org/10.1107/S2053273320016605

Eschenbach, P., Artiukhin, D. G. & Neugebauer, J. (2021). Multi-state formulation of the frozen-density embedding quasi-diabatization approach. Journal of Chemical Physics, 155(17), Artikel 174104. https://doi.org/10.1063/5.0070486

Nielsen, N. S., Gadeberg, T. A. F., Poulsen, E. T., Harwood, S. L., Weberskov, C. E., Pedersen, J. S., Andersen, G. R. & Enghild, J. J. (2021). Mutation-induced dimerization of transforming growth factor-β-induced protein may drive protein aggregation in granular corneal dystrophy. The Journal of Biological Chemistry, 297(1), Artikel 100858. https://doi.org/10.1016/j.jbc.2021.100858

Grinderslev, J. B., Andersson, M. S., Trump, B. A., Zhou, W., Udovic, T. J., Karlsson, M. & Jensen, T. R. (2021). Neutron Scattering Investigations of the Global and Local Structures of Ammine Yttrium Borohydrides. Journal of Physical Chemistry C, 125(28), 15415-15423. https://doi.org/10.1021/acs.jpcc.1c03629

Rosati, B., Christiansen, S., Wollesen De Jonge, R., Roldin, P., Jensen, M. M., Wang, K., Moosakutty, S. P., Thomsen, D., Salomonsen, C., Hyttinen, N., Elm, J., Feilberg, A., Glasius, M. & Bilde, M. (2021). New Particle Formation and Growth from Dimethyl Sulfide Oxidation by Hydroxyl Radicals. ACS Earth and Space Chemistry, 5(4), 801-811. https://doi.org/10.1021/acsearthspacechem.0c00333

Ton, S. J., Neumann, K. T., Nørby, P. & Skrydstrup, T. (2021). Nickel-Mediated Alkoxycarbonylation for Complete Carbon Isotope Replacement. Journal of the American Chemical Society, 143(42), 17816-17824. https://doi.org/10.1021/jacs.1c09170

Lisi, F., Zelikin, A. N. & Chandrawati, R. (2021). Nitric Oxide to Fight Viral Infections. Advanced Science, 8(7), Artikel 2003895. https://doi.org/10.1002/advs.202003895

Mulder, F. A. A. (2021). NMR spectroscopy charges into protein surface electrostatics. Proceedings of the National Academy of Sciences (PNAS), 118(30), Artikel 2110176118. https://doi.org/10.1073/pnas.2110176118

Soloninin, A. V., Babanova, O. A., Skoryunov, R. V., Skripov, A. V., Grinderslev, J. B. & Jensen, T. R. (2021). NMR Study of the Dynamical Properties of LiLa(BH₄)₃Br and LiLa(BH₄)₃I. Applied Magnetic Resonance, 52(5), 595-606. https://doi.org/10.1007/s00723-021-01319-0

Sandahl, A. F., Nguyen, T. J. D., Hansen, R. A., Johansen, M. B., Skrydstrup, T. & Gothelf, K. V. (2021). On-demand synthesis of phosphoramidites. Nature Communications, 12, Artikel 2760. https://doi.org/10.1038/s41467-021-22945-z

Koch, R. J., Roth, N., Liu, Y., Ivashko, O., Dippel, A. C., Petrovic, C., Iversen, B. B., V Zimmermann, M. & Bozin, E. S. (2021). On single-crystal total scattering data reduction and correction protocols for analysis in direct space. Acta Crystallographica Section A: Foundations and Advances, 77, 611-636. https://doi.org/10.1107/S2053273321010159

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

Liu, Y., Izzo, J. A., McLeod, D., Ričko, S., Svenningsen, E. B., Poulsen, T. B. & Jørgensen, K. A. (2021). Organocatalytic Asymmetric Multicomponent Cascade Reaction for the Synthesis of Contiguously Substituted Tetrahydronaphthols. Journal of the American Chemical Society, 143(21), 8208-8220. https://doi.org/10.1021/jacs.1c03923

De Castro, P. P., Batista, G. M. F., Amarante, G. W. & Dos Santos, H. F. (2021). Origin of Enantioselectivity in Chiral Phosphoric-Acid-Catalyzed Azlactone Dynamic Kinetic Resolution. Journal of Organic Chemistry, 86(18), 13169-13174. https://doi.org/10.1021/acs.joc.1c01882

Nielsen, I. G., Sommer, S., Dippel, A. C., Skibsted, J. & Iversen, B. B. (2021). Pair distribution function and⁷¹Ga NMR study of aqueous Ga³⁺complexes. Chemical Science, 12(43), 14420-14431. https://doi.org/10.1039/d1sc05190c

Walther, R., Monge, P., Pedersen, A., Benderoth, A., Pedersen, J., Farzadfard, A., Mandrup, O., Howard, K., Otzen, D. & Zelikin, A. N. (2021). Per-glycosylation of the Surface-Accessible Lysines: One-Pot Aqueous Route to Stabilized Proteins with Native Activity. ChemBioChem, 22(14), 2478-2485. https://doi.org/10.1002/cbic.202100228

Nielsen, I. G., Sommer, S. & Iversen, B. B. (2021). Phase control for indium oxide nanoparticles. Nanoscale, 13(7), 4038-4050. https://doi.org/10.1039/d0nr08587a

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), Artikel e1836411. https://doi.org/10.1080/00268976.2020.1836411

Voronin, K. V., Ermolaev, G. A., Stebunov, Y. V., Arsenin, A. V., Bylinkin, A. N., Jensen, B. B. E., Jørgensen, B. & Volkov, V. S. (2021). Photogating in graphene field-effect phototransistors: Theory and observations. I V. Volkov, A. Nikitin & A. V. Arsenin (red.), Proceedings of international congress on graphene, 2d materials and applications (2d materials 2019) Artikel 020034 AIP Publishing LLC. https://doi.org/10.1063/5.0054954

Dichmann, L. P., Bregnhøj, M., Liu, H., Westberg, M., Poulsen, T., Etzerodt, M. & Ogilby, P. R. (2021). Photophysics of a Protein-Bound Derivative of Malachite Green that Sensitizes the Production of Singlet Oxygen. Photochemical & Photobiological Sciences, 20(3), 435-449. https://doi.org/10.1007/s43630-021-00032-y

Jørgensen, M., Zhou, W., Wu, H., Udovic, T. J., Paskevicius, M., Černý, R. & Jensen, T. R. (2021). Polymorphism of Calcium Decahydrido- closo-decaborate and Characterization of Its Hydrates. Inorganic Chemistry, 60(15), 10943-10957. https://doi.org/10.1021/acs.inorgchem.1c00594

Sun, H., Ahrens, A., Kristensen, S. K., Gausas, L., Donslund, B. S. & Skrydstrup, T. (2021). Practical Gas Cylinder-Free Preparations of Important Transition Metal-Based Precatalysts Requiring Gaseous Reagents. Organic Process Research and Development, 25(10), 2300-2307. https://doi.org/10.1021/acs.oprd.1c00205

Ambroise, M. A., Dreuw, A. & Jensen, F. (2021). Probing Basis Set Requirements for Calculating Core Ionization and Core Excitation Spectra Using Correlated Wave Function Methods. Journal of Chemical Theory and Computation, 17(5), 2832-2842. https://doi.org/10.1021/acs.jctc.1c00042

Madsen, M. R., Rønne, M. H., Heuschen, M., Golo, D., Ahlquist, M. S. G., Skrydstrup, T., Pedersen, S. U. & Daasbjerg, K. (2021). Promoting Selective Generation of Formic Acid from CO₂ Using Mn(bpy)(CO)₃Br as Electrocatalyst and Triethylamine/Isopropanol as Additives. Journal of the American Chemical Society, 143(48), 20491-20500. https://doi.org/10.1021/jacs.1c10805

Ling, M. L., Marshall, I. P. G., Rosati, B., Schreiber, L., Boesen, T., Finster, K. & Šantl-Temkiv, T. (2021). Properties relevant to atmospheric dispersal of the ice-nucleation active Pseudomonas syringae strain R10.79 isolated from rain water. Aerobiologia, 37(2), 225-241. https://doi.org/10.1007/s10453-020-09682-4

Klahn, E. A., Damgaard-Møller, E., Krause, L., Kibalin, I., Gukasov, A., Tripathi, S., Swain, A., Shanmugam, M. & Overgaard, J. (2021). Quantifying magnetic anisotropy using X-ray and neutron diffraction. IUCrJ, 8(5), 833-841. https://doi.org/10.1107/S2052252521008290

Frank, M. S., Lee, T.-H., Bhattacharyya, G., Tsang, P. K. H., Quito, V. L., Dobrosavljevic, V., Christiansen, O. & Lanata, N. (2021). Quantum embedding description of the Anderson lattice model with the ghost Gutzwiller approximation. Physical Review B, 104(8), Artikel L081103 . https://doi.org/10.1103/PhysRevB.104.L081103

Ferrer-Tasies, L., Santana, H., Cabrera-Puig, I., González-Mira, E., Ballell-Hosa, L., Castellar-Álvarez, C., Córdoba, A., Merlo-Mas, J., Gerónimo, H., Chinea, G., Falcón, V., Moreno-Calvo, E., Pedersen, J. S., Romero, J., Navarro-Requena, C., Valdés, C., Limonta, M., Berlanga, J., Sala, S. ... Ventosa, N. (2021). Recombinant Human Epidermal Growth Factor/Quatsome Nanoconjugates: A Robust Topical Delivery System for Complex Wound Healing. Advanced Therapeutics, 4(6), Artikel 2000260. https://doi.org/10.1002/adtp.202000260

H. Gjørup, F., Mørch, M. & Christensen, M. (2021). Reel1.0 - A visualization tool for evaluating powder diffraction refinements. The Journal of Open Source Software, 6(66), Artikel 3546. https://doi.org/10.21105/joss.03546

Nielsen, O. J. & Bilde, M. (2021). Reflection on two Ambio papers by P. J. Crutzen on ozone in the upper atmosphere: This article belongs to Ambio’s 50th Anniversary Collection. Theme: Ozone Layer. Ambio, 50(1), 40-43. https://doi.org/10.1007/s13280-020-01425-6

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

Nukala, P., Ahmadi, M., Wei, Y., Graaf, S. D., Stylianidis, E., Chakrabortty, T., Matzen, S., Zandbergen, H. W., Björling, A., Mannix, D., Carbone, D., Kooi, B. & Noheda, B. (2021). Reversible oxygen migration and phase transitions in hafnia-based ferroelectric devices. Science, 372(6542), 630-635. https://doi.org/10.1126/science.abf3789

Kjeldgaard, S., Wagemaker, M., Iversen, B. B. & Bentien, A. (2021). Sample dependent performance of aqueous copper hexacyanoferrate/zinc batteries. Materials Advances, 2(6), 2036-2044. https://doi.org/10.1039/d0ma00949k

Wollesen De Jonge, R., Elm, J., Rosati, B., Christiansen, S., Hyttinen, N., Lüdemann, D., Bilde, M. & Roldin, P. (2021). Secondary aerosol formation from dimethyl sulfide-improved mechanistic understanding based on smog chamber experiments and modelling. Atmospheric Chemistry and Physics, 21(13), 9955-9976. https://doi.org/10.5194/acp-21-9955-2021

Efthymiou, C., Bergström, L. M., Pedersen, J. N., Pedersen, J. S. & Hansson, P. (2021). Self-assembling properties of ionisable amphiphilic drugs in aqueous solution. Journal of Colloid and Interface Science, 600, 701-710. https://doi.org/10.1016/j.jcis.2021.05.049

Renier, O., Bousrez, G., Baryshnikov, G. V., Paterlini, V., Smetana, V., Ågren, H., Rogers, R. D. & Mudring, A. V. (2021). Shape Preserving Single Crystal to Amorphous to Single Crystal Polymorphic Transformation Is Possible. Journal of the American Chemical Society, 143(48), 20202-20206. https://doi.org/10.1021/jacs.1c08590

Vosegaard, T. (2021). Single-crystal NMR spectroscopy. Progress in Nuclear Magnetic Resonance Spectroscopy, 123, 51-72. https://doi.org/10.1016/j.pnmrs.2021.01.001

Kilibarda, F., Strobel, A., Sendler, T., Wieser, M., Mortensen, M., Trads, J. B., Helm, M., Kerbusch, J., Scheer, E., Gemming, S., Gothelf, K. V. & Erbe, A. (2021). Single-Molecule Doping: Conductance Changed By Transition Metal Centers in Salen Molecules. Advanced Electronic Materials, 7(10), Artikel 2100252. https://doi.org/10.1002/aelm.202100252

Juelsholt, M., Anker, A. S., Christiansen, T. L., Jørgensen, M. R. V., Kantor, I., Sørensen, D. R. & Jensen, K. M. Ø. (2021). Size-induced amorphous structure in tungsten oxide nanoparticles. Nanoscale, 13(47), 20144-20156. https://doi.org/10.1039/D1NR05991B

Jeffries, C. M., Ilavsky, J., Martel, A., Hindrichs, S., Meyer, A., Pedersen, J. S., Sokolova, A. V. & Svergun, D. I. (2021). Small-angle X-ray and neutron scattering. Nature Reviews Methods Primers, 1(1), Artikel 70. https://doi.org/10.1038/s43586-021-00064-9

Denofrio, M. P., Villarruel, F. D., Erra-Balsells, R., Ogilby, P. R., Wolcan, E. & Cabrerizo, F. M. (2021). Spectroscopic and quantum chemical characterization of the ground and lowest electronically excited singlet and triplet states of halo- and nitro-harmines in aqueous media. Physical Chemistry Chemical Physics, 23(18), 11039-11051. https://doi.org/10.1039/d1cp00901j

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