Publikationer

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Publikationer fra Institut for Kemi

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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), Artikel 054113. https://doi.org/10.1063/5.0037240

Schutz, D., Conzelmann, C., Fois, G., Groß, R., Weil, T., Wettstein, L., Stenger, S., Zelikin, A., Hoffmann, T. K., Frick, M., Muller, J. A. & Munch, J. (2021). Carrageenan-containing over-the-counter nasal and oral sprays inhibit SARS-CoV-2 infection of airway epithelial cultures. American Journal of Physiology - Lung Cellular and Molecular Physiology, 320(5), L750-L756. https://doi.org/10.1152/ajplung.00552.2020

Gausas, L., Kristensen, S. K., Sun, H., Ahrens, A., Donslund, B., Lindhardt, A. T. & Skrydstrup, T. (2021). Catalytic Hydrogenation of Polyurethanes to Base Chemicals: From Model Systems to Commercial and End-of-Life Polyurethane Materials. JACS Au, 1(4), 517–524. https://doi.org/10.1021/jacsau.1c00050

Walther, R., Huynh, T. H., Monge, P., Fruergaard, A. S., Mamakhel, A. & Zelikin, A. N. (2021). Ceria Nanozyme and Phosphate Prodrugs: Drug Synthesis through Enzyme Mimicry. ACS Applied Materials & Interfaces, 13(22), 25685-25693. https://doi.org/10.1021/acsami.1c03890

Costentin, C., Daasbjerg, K. & Robert, M. (2021). Chapter 2: Homogeneous Electrochemical Reduction of CO₂. From Homogeneous to Supported Systems. I M. Robert, C. Costentin & K. Daasbjerg (red.), Carbon Dioxide Electrochemistry: Homogeneous and Heterogeneous Catalysis (28 udg., s. 67-97). Royal Society of Chemistry. https://doi.org/10.1039/9781788015844-00067

Saladrigas, C. A., Feinberg, A. J., Ziemkiewicz, M. P., Bacellar, C., Bucher, M., Bernando, C., Carron, S., Chatterley, A. S., Decker, F. J., Ferguson, K. R., Gomez, L., Gorkhover, T., Helvy, N. A., Jones, C. F., Kwok, J. J., Lutman, A., Rupp, D., Tanyag, R. M. P., Möller, T. ... Gessner, O. (2021). Charging and ion ejection dynamics of large helium nanodroplets exposed to intense femtosecond soft X-ray pulses. European Physical Journal: Special Topics, 230(23), 4011-4023. https://doi.org/10.1140/epjs/s11734-021-00280-0

Lucas, P., Martin, S. W., Kieffer, J., Poole, P. H. & Wei, S. (2021). Charles Austen Angell, 1933-2021. Journal of Non-Crystalline Solids, 568, Artikel 120869. https://doi.org/10.1016/j.jnoncrysol.2021.120869

Tolborg, K. & Iversen, B. B. (2021). Chemical Bonding Origin of the Thermoelectric Power Factor in Half-Heusler Semiconductors. Chemistry of Materials, 33(13), 5308-5316. https://doi.org/10.1021/acs.chemmater.1c01409

Walther, R. & Zelikin, A. N. (2021). Chemical (neo)glycosylation of biological drugs. Advanced Drug Delivery Reviews, 171, 62-76. https://doi.org/10.1016/j.addr.2021.01.021

Nielsen, J. T. & Mulder, F. A. A. (2021). CheSPI: chemical shift secondary structure population inference. Journal of Biomolecular NMR, 75(6-7), 273-291. https://doi.org/10.1007/s10858-021-00374-w

Junior, S. L. Y., Martin, J., Hulme, O. & Kvitsiani, D. (2021). Choice history effects in mice and humans improve reward harvesting efficiency. PLoS Computational Biology, 17(10), Artikel e1009452. https://doi.org/10.1371/journal.pcbi.1009452

Elm, J. (2021). Clusteromics I: Principles, Protocols, and Applications to Sulfuric Acid-Base Cluster Formation. ACS Omega, 6(11), 7804-7814. https://doi.org/10.1021/acsomega.1c00306

Elm, J. (2021). Clusteromics II: Methanesulfonic Acid-Base Cluster Formation. ACS Omega, 6(26), 17035-17044. https://doi.org/10.1021/acsomega.1c02115

Wørmer, G. J., Villadsen, N. L., Nørby, P. & Poulsen, T. B. (2021). Concise Asymmetric Syntheses of Streptazone A and Abikoviromycin**. Angewandte Chemie - International Edition, 60(19), 10521-10525. https://doi.org/10.1002/anie.202101439

Shi, J., Ma, S., Wei, S., Best, J. P., Stolpe, M. & Markert, B. (2021). Connecting structural defects to tensile failure in a 3D-printed fully-amorphous bulk metallic glass. Materials Science and Engineering, 813, Artikel 141106. https://doi.org/10.1016/j.msea.2021.141106

Zajac, M., Skocek, J., Skibsted, J. & Ben Haha, M. (2021). Co₂ mineralization of demolished concrete wastes into a supplementary cementitious material – a new ccu approach for the cement industry. RILEM Technical Letters, 6, 53-60. https://doi.org/10.21809/rilemtechlett.2021.141

Haist, M., Divoux, T., Krakowiak, K. J., Skibsted, J., Pellenq, R. J. M., Müller, H. S. & Ulm, F. J. (2021). Creep in reactive colloidal gels: A nanomechanical study of cement hydrates. Physical Review Research , 3(4), Artikel 043127. https://doi.org/10.1103/PhysRevResearch.3.043127

Otzen, D. E., Pedersen, J. N., Somavarapu, A. K., Clement, A., Ji, M., Petersen, E. H., Pedersen, J. S., Urban, S. & Schafer, N. P. (2021). Cys-labelling kinetics of membrane protein GlpG: a role for specific SDS binding and micelle changes? Biophysical Journal, 120(18), 4115-4128. https://doi.org/10.1016/j.bpj.2021.08.001

Fogang, L. T., Solling, T. I., Pedersen, J. S., Kamal, M. S. & Sultan, A. S. (2021). Deducing the Relation between Viscosity and Oil-Induced Structural Changes of Viscoelastic Surfactants Using a Kinetic Approach. Journal of Physical Chemistry B, 125(23), 6306-6314. https://doi.org/10.1021/acs.jpcb.1c00922

Jia, X., Kramer, S., Skrydstrup, T. & Lian, Z. (2021). Design and Applications of a SO₂ Surrogate in Palladium-Catalyzed Direct Aminosulfonylation between Aryl Iodides and Amines. Angewandte Chemie - International Edition, 60(13), 7353-7359. https://doi.org/10.1002/anie.202014111

Marangoni, T. A., Guralnik, B., Borup, K. A., Hansen, O. & Petersen, D. H. (2021). Determination of the temperature coefficient of resistance from micro four-point probe measurements. Journal of Applied Physics, 129(16), Artikel 165105. https://doi.org/10.1063/5.0046591

Weidner, T. & Castner, D. G. (2021). Developments and Ongoing Challenges for Analysis of Surface-Bound Proteins. Annual Review of Analytical Chemistry, 14(1), 389-412. https://doi.org/10.1146/annurev-anchem-091520-010206

Meninno, S., Carratù, M., Overgaard, J. & Lattanzi, A. (2021). Diastereoselective Synthesis of Functionalized 5-Amino-3,4-Dihydro-2H-Pyrrole-2-Carboxylic Acid Esters: One-Pot Approach Using Commercially Available Compounds and Benign Solvents. Chemistry - A European Journal, 27(14), 4573-4577. https://doi.org/10.1002/chem.202005262

Sprenger, K., Roeters, S. J., Mauri, S., Mertig, R., Nishiyama, Y., Pfaendtner, J. & Weidner, T. (2021). Direct Evidence for Aligned Binding of Cellulase Enzymes to Cellulose Surfaces. Journal of Physical Chemistry Letters, 12(43), 10684-10688. https://doi.org/10.1021/acs.jpclett.1c02757

Golbek, T. W., Otto, S. C., Roeters, S. J., Weidner, T., Johnson, C. P. & Baio, J. E. (2021). Direct Evidence That Mutations within Dysferlin's C2A Domain Inhibit Lipid Clustering. Journal of Physical Chemistry B, 125(1), 148-157. https://doi.org/10.1021/acs.jpcb.0c07143

Zhang, J., Roth, N., Tolborg, K., Takahashi, S., Song, L., Bondesgaard, M., Nishibori, E. & Iversen, B. B. (2021). Direct observation of one-dimensional disordered diffusion channel in a chain-like thermoelectric with ultralow thermal conductivity. Nature Communications, 12(1), Artikel 6709. https://doi.org/10.1038/s41467-021-27007-y

Fikáček, J., Warmuth, J., Arnold, F., Piamonteze, C., Mao, Z., Holý, V., Hofmann, P., Bremholm, M., Wiebe, J., Wiesendanger, R. & Honolka, J. (2021). Disorder-induced time effect in the antiferromagnetic domain state of Fe₁₊_yTe. Journal of Magnetism and Magnetic Materials, 540, Artikel 168426. https://doi.org/10.1016/j.jmmm.2021.168426

Dey, S., Fan, C., Gothelf, K. V., Li, J., Lin, C., Liu, L., Liu, N., Nijenhuis, M. A. D., Saccà, B., Simmel, F. C., Yan, H. & Zhang, P. (2021). DNA origami. Nature Reviews Methods Primers.

Agergaard, A. H., Sommerfeldt, A., Pedersen, S. U., Birkedal, H. & Daasbjerg, K. (2021). Dual-Responsive Material Based on Catechol Modified Self Immolative Poly(Disulfide) Backbones. Angewandte Chemie, 60(39), 21543-21549. https://doi.org/10.1002/anie.202108698

Pramanick, A., Nayak, S., Egami, T., Dmowski, W., Budisuharto, A. S., Marlton, F., Jørgensen, M. R. V., Venkateshwarlu, S. & Beyer, K. A. (2021). Dynamical origins of weakly coupled relaxor behavior in Sn-doped (Ba,Ca)Ti O₃-BiSc O₃. Physical Review B, 103(21), Artikel 214105. https://doi.org/10.1103/PhysRevB.103.214105

Zajac, M., Skibsted, J. & Ben Haha, M. (2021). Effect of alkalis on enforced carbonation of cement paste: Mechanism of reaction. Journal of the American Ceramic Society, 104(2), 1076-1087. https://doi.org/10.1111/jace.17481

Zajac, M., Skibsted, J., Durdzinski, P. & Ben Haha, M. (2021). Effect of alkalis on products of enforced carbonation of cement paste. Construction and Building Materials, 291, Artikel 123203. https://doi.org/10.1016/j.conbuildmat.2021.123203

Stange, A. D., Hsu, J. P. C., Ravnkilde, L. K., Berglund, N. & Schiøtt, B. (2021). Effect of cholesterol on the dimerization of C99—A molecular modeling perspective. Biointerphases, 16(3), Artikel 031002. https://doi.org/10.1116/6.0000985

Zeppelin, T., Pedersen, K. B., Berglund, N. A., Periole, X. & Schiøtt, B. (2021). Effect of palmitoylation on the dimer formation of the human dopamine transporter. Scientific Reports, 11(1), Artikel 4164. https://doi.org/10.1038/s41598-021-83374-y

Andersen, C., Omelekhina, Y., Rasmussen, B. B., Nygaard Bennekov, M., Skov, S. N., Køcks, M., Wang, K., Strandberg, B., Mattsson, F., Bilde, M., Glasius, M., Pagels, J. & Wierzbicka, A. (2021). Emissions of soot, PAHs, ultrafine particles, NO_x, and other health relevant compounds from stressed burning of candles in indoor air. Indoor Air, 31(6), 2033-2048. https://doi.org/10.1111/ina.12909

Rasmussen, B. B., Wang, K., Karstoft, J. G., Skov, S. N., Køcks, M., Andersen, C., Wierzbicka, A., Pagels, J., Pedersen, P. B., Glasius, M. & Bilde, M. (2021). Emissions of ultrafine particles from five types of candles during steady burn conditions. Indoor Air, 31(4), 1084-1094. https://doi.org/10.1111/ina.12800

Jessen, N. I., Bertuzzi, G., Bura, M., Skipper, M. L. & Jørgensen, K. A. (2021). Enantioselective Construction of the Cycl[3.2.2]azine Core via Organocatalytic [12 + 2] Cycloadditions. Journal of the American Chemical Society, 143(16), 6140-6151. https://doi.org/10.1021/jacs.1c00499

Lamhauge, J. N., Corti, V., Liu, Y. & Jørgensen, K. A. (2021). Enantioselective α-Etherification of Branched Aldehydes via an Oxidative Umpolung Strategy. Angewandte Chemie - International Edition, 60(34), 18728-18733. https://doi.org/10.1002/anie.202105721

Liong, C. S., Smith, A. A. A., Mann, J. L., Roth, G. A., Gale, E. C., Maikawa, C. L., Ou, B. S. & Appel, E. A. (2021). Enhanced Humoral Immune Response by High Density TLR Agonist Presentation on Hyperbranched Polymers. Advanced Therapeutics, 4(4), Artikel 2000081. https://doi.org/10.1002/adtp.202000081

Cherepanov, I. N., Bighin, G., Schouder, C. A., Chatterley, A. S., Albrechtsen, S. H., Vinas Munoz, A., Christiansen, L., Stapelfeldt, H. & Lemeshko, M. (2021). Excited rotational states of molecules in a superfluid. Physical Review A, 104(6), Artikel L061303. https://doi.org/10.1103/PhysRevA.104.L061303

Jakobsen, H. J., Bildsøe, H., Bondesgaard, M., Iversen, B. B., Brorson, M., Larsen, F. H., Gan, Z. & Hung, I. (2021). Exciting Opportunities for Solid-State ⁹⁵Mo NMR Studies of MoS₂Nanostructures in Materials Research from a Low to an Ultrahigh Magnetic Field (35.2 T). Journal of Physical Chemistry C, 125(14), 7824-7838. https://doi.org/10.1021/acs.jpcc.0c10522

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

Du, J. J., Stanton, S. A., Fakih, S., Hawkins, B. A., Williams, P. A., Groundwater, P. W., Overgaard, J., Platts, J. A. & Hibbs, D. E. (2021). Exploring the Solubility of the Carbamazepine-Saccharin Cocrystal: A Charge Density Study. Crystal Growth and Design, 21(8), 4259-4275. https://doi.org/10.1021/acs.cgd.8b01111

Jeppesen, H. S., Nørby, P., Gammelgaard, J. J., Borup, K. & Lock, N. (2021). Exploring the structures, stability, and light absorption properties of three thiostannates synthesised at similar conditions. Scientific Reports, 11(1), Artikel 22080. https://doi.org/10.1038/s41598-021-01329-9

Jensen, O. N., Beyer, M., Sørensen, M. K., Kreimeyer, M. & Nielsen, N. C. (2021). Fast and accurate quantification of nitrogen and phosphorus constituents in animal slurries using NMR sensor technology. ACS Omega, 6(27), 17335-17341. https://doi.org/10.1021/acsomega.1c01441

Sangeetha, N. S., Pakhira, S., Ding, Q. P., Krause, L., Lee, H. C., Smetana, V., Mudring, A. V., Iversen, B. B., Furukawa, Y. & Johnston, D. C. (2021). First-order antiferromagnetic transitions of SrMn2P2 and CaMn2P2 single crystals containing corrugated-honeycomb Mn sublattices. Proceedings of the National Academy of Sciences (PNAS), 118(44), Artikel e2108724118. https://doi.org/10.1073/pnas.2108724118

Fan, W., Jensen, L. R., Ceccato, M., Quaade, T. S., Gurevich, L., Yu, D. & Smedskjaer, M. M. (2021). Flexible inorganic–organic hybrids with dual inorganic components. Materials Today Chemistry, 22, Artikel 100584. https://doi.org/10.1016/j.mtchem.2021.100584

Lerner, E., Barth, A., Hendrix, J., Ambrose, B., Birkedal, V., Blanchard, S. C., Börner, R., Chung, H. S., Cordes, T., Craggs, T. D., Deniz, A. A., Diao, J., Fei, J., Gonzalez, R. L., Gopich, I. V., Ha, T., Hanke, C. A., Haran, G., Hatzakis, N. S. ... Weiss, S. (2021). FRET-based dynamic structural biology: Challenges, perspectives and an appeal for open-science practices. eLife, 10, Artikel 60416. https://doi.org/10.7554/eLife.60416

Mroginski, M. A., Adam, S., Amoyal, G. S., Barnoy, A., Bondar, A. N., Borin, V. A., Church, J. R., Domratcheva, T., Ensing, B., Fanelli, F., Ferré, N., Filiba, O., Pedraza-González, L., González, R., González-Espinoza, C. E., Kar, R. K., Kemmler, L., Kim, S. S., Kongsted, J. ... Schapiro, I. (2021). Frontiers in Multiscale Modeling of Photoreceptor Proteins. Photochemistry and Photobiology, 97(2), 243-269. https://doi.org/10.1111/php.13372

Kjølbye, L. R., De Maria, L., Wassenaar, T. A., Abdizadeh, H., Marrink, S. J., Ferkinghoff-Borg, J. & Schiøtt, B. (2021). General Protocol for Constructing Molecular Models of Nanodiscs. Journal of Chemical Information and Modeling, 61(6), 2869-2883. https://doi.org/10.1021/acs.jcim.1c00157

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