Publikationer

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Publikationer fra Institut for Kemi

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Xin, Z. & Skrydstrup, T. (2019). Liquid Marbles: A Promising and Versatile Platform for Miniaturized Chemical Reactions. Angewandte Chemie International Edition, 58(35), 11952-11954. https://doi.org/10.1002/anie.201905204

Dippel, A.-C., Roelsgaard, M., Boettger, U., Gutowski, O., Ruett, U. & Schneller, T. (2019). Local atomic structure of thin and ultrathin films via rapid high-energy X-ray total scattering at grazing incidence. IUCrJ, 6(2), 290-298. https://doi.org/10.1107/S2052252519000514

Chatterley, A. S., Schouder, C., Christiansen, L., Shepperson, B., Rasmussen, M. H. & Stapelfeldt, H. (2019). Long-lasting field-free alignment of large molecules inside helium nanodroplets. Nature Communications, 10(1), Artikel 133. https://doi.org/10.1038/s41467-018-07995-0

Tolborg, K., Jørgensen, M. R. V., Sist, M., Mamakhel, M. A. H., Overgaard, J. & Iversen, B. B. (2019). Low‐Barrier Hydrogen Bonds in Negative Thermal Expansion Material H₃[Co(CN)₆]. Chemistry - A European Journal, 25(27), 6814-6822. https://doi.org/10.1002/chem.201900358

Hathwar, V. R., Nakamura, A., Kasai, H., Suekuni, K., Tanaka, H. I., Takabatake, T., Iversen, B. B. & Nishibori, E. (2019). Low-Temperature Structural Phase Transitions in Thermoelectric Tetrahedrite, Cu12Sb4S13, and Tennantite, Cu12As4S13. Crystal Growth & Design, 19(7), 3979-3988. https://doi.org/10.1021/acs.cgd.9b00385

Pedersen, J. N., Jiang, Z., Christiansen, G., Lee, J. C., Pedersen, J. S. & Otzen, D. E. (2019). Lysophospholipids induce fibrillation of the repeat domain of Pmel17 through intermediate core-shell structures. Biochimica et Biophysica Acta - Proteins and Proteomics, 1867(5), 519-528. https://doi.org/10.1016/j.bbapap.2018.11.007

Schmitz, G., Godtliebsen, I. H. & Christiansen, O. (2019). Machine learning for potential energy surfaces: An extensive database and assessment of methods. The Journal of Chemical Physics, 150(24), Artikel 244113. https://doi.org/10.1063/1.5100141

Yartys, V. A., Lototskyy, M. V., Akiba, E., Albert, R., Antonov, V. E., Ares, J. R., Baricco, M., Bourgeois, N., Buckley, C. E., Bellosta von Colbe, J. M., Crivello, J. C., Cuevas, F., Denys, R. V., Dornheim, M., Felderhoff, M., Grant, D. M., Hauback, B. C., Humphries, T. D., Jacob, I. ... Zhu, M. (2019). Magnesium based materials for hydrogen based energy storage: Past, present and future. International Journal of Hydrogen Energy, 44(15), 7809-7859. https://doi.org/10.1016/j.ijhydene.2018.12.212

Roth, N., Ye, F., May, A. F., Chakoumakos, B. C. & Iversen, B. B. (2019). Magnetic correlations and structure in bixbyite across the spin-glass transition. Physical Review B, 100(14), Artikel 144404. https://doi.org/10.1103/PhysRevB.100.144404

Shi, M. W., Thomas, S. P., Hathwar, V. R., Edwards, A. J., Piltz, R. O., Jayatilaka, D., Koutsantonis, G. A., Overgaard, J., Nishibori, E., Iversen, B. B. & Spackman, M. A. (2019). Measurement of Electric Fields Experienced by Urea Guest Molecules in the 18-Crown-6/Urea (1:5) Host-Guest Complex: An Experimental Reference Point for Electric-Field-Assisted Catalysis. Journal of the American Chemical Society, 141(9), 3965-3976. https://doi.org/10.1021/jacs.8b12927

Dass, R., Corlianò, E. & Mulder, F. A. A. (2019). Measurement of Very Fast Exchange Rates of Individual Amide Protons in Proteins by NMR Spectroscopy. ChemPhysChem, 20(2), 231-235. https://doi.org/10.1002/cphc.201801044

Liu, C., Ma, F., Elm, J., Fu, Z., Tang, W., Chen, J. & Xie, H. B. (2019). Mechanism and predictive model development of reaction rate constants for N-center radicals with O₂. Chemosphere, 237, Artikel 124411. https://doi.org/10.1016/j.chemosphere.2019.124411

Huot, J., Cuevas, F., Deledda, S., Edalati, K., Filinchuk, Y., Grosdidier, T., Hauback, B. C., Heere, M., Jensen, T. R., Latroche, M. & Sartori, S. (2019). Mechanochemistry of Metal Hydrides: Recent Advances. Materials, 12(17), Artikel 2778. https://doi.org/10.3390/ma12172778

Gounani, Z., Asadollahi, M. A., Pedersen, J. N., Lyngsø, J., Pedersen, J. S., Arpanaei, A. & Meyer, R. L. (2019). Mesoporous silica nanoparticles carrying multiple antibiotics provide enhanced synergistic effect and improved biocompatibility. Colloids and Surfaces B: Biointerfaces, 175, 498-508. https://doi.org/10.1016/j.colsurfb.2018.12.035

Shen, J., Xie, H.-B., Elm, J., Ma, F., Chen, J. & Vehkamaki, H. (2019). Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study. Environmental Science & Technology, 53(24), 14387-14397. https://doi.org/10.1021/acs.est.9b05306

Hu, X. M. & Daasbjerg, K. (2019). Molecular catalyst converts carbon dioxide to methanol. Nature, 575(7784), 598-599. https://doi.org/10.1038/d41586-019-03563-8

Wang, K., Zhang, Y., Huang, R. J., Wang, M., Ni, H., Kampf, C. J., Cheng, Y., Bilde, M., Glasius, M. & Hoffmann, T. (2019). Molecular Characterization and Source Identification of Atmospheric Particulate Organosulfates Using Ultrahigh Resolution Mass Spectrometry. Environmental Science & Technology, 53(11), 6192-6202. https://doi.org/10.1021/acs.est.9b02628

Poghosyan, A. H., Schafer, N., Lyngsø, J., Shahinyan, A. A., Pedersen, J. S. & Otzen, D. (2019). Molecular dynamics study of ACBP denaturation in alkyl sulfates demonstrates possible pathways of unfolding through fused surfactant clusters. Protein Engineering, Design and Selection, 32(4), 175-190. Artikel gzz037. https://doi.org/10.1093/protein/gzz037

Poier, P. P., Lagardère, L., Piquemal, J. P. & Jensen, F. (2019). Molecular Dynamics Using Nonvariational Polarizable Force Fields: Theory, Periodic Boundary Conditions Implementation, and Application to the Bond Capacity Model. Journal of Chemical Theory and Computation, 15(11), 6213-6224. https://doi.org/10.1021/acs.jctc.9b00721

Kjolbye, L. R., Laustsen, A., Vestergaard, M., Periole, X., De Maria, L., Svendsen, A., Coletta, A. & Schiott, B. (2019). Molecular Modeling Investigation of the Interaction between Humicola insolens Cutinase and SDS Surfactant Suggests a Mechanism for Enzyme Inactivation. Journal of Chemical Information and Modeling, 59(5), 1977-1987. https://doi.org/10.1021/acs.jcim.8b00857

Ladefoged, L. K., Zeppelin, T. & Schiøtt, B. (2019). Molecular modeling of neurological membrane proteins − from binding sites to synapses. Neuroscience Letters, 700, 38-49. https://doi.org/10.1016/j.neulet.2018.05.034

Karamatskos, E. T., Raabe, S., Mullins, T., Trabattoni, A., Stammer, P., Goldsztejn, G., Johansen, R. R., Długołecki, K., Stapelfeldt, H., Vrakking, M. J. J., Trippel, S., Rouzée, A. & Küpper, J. (2019). Molecular movie of ultrafast coherent rotational dynamics of OCS. Nature Communications, 10(1), Artikel 3364. https://doi.org/10.1038/s41467-019-11122-y

Møller, K. T., Paskevicius, M., Andreasen, J. G., Lee, J., Chen-Tan, N., Overgaard, J., Payandeh, S. H., Silvester, D. S., Buckley, C. E. & Jensen, T. R. (2019). Molten metal closo-borate solvates. Chemical Communications, 55(23), 3410-3413. https://doi.org/10.1039/c9cc00187e

Lertanantawong, B., Krissanaprasit, A., Chaibun, T., Gothelf, K. V. & Surareungchai, W. (2019). Multiplexed DNA detection with DNA tweezers in a one-pot reaction. Materials Science for Energy Technologies, 2(3), 503-508. https://doi.org/10.1016/j.mset.2019.05.001

Svane, B., Tolborg, K., Jørgensen, L. R., Roelsgaard, M., Jørgensen, M. R. V. & Iversen, B. B. (2019). Multipole electron densities and atomic displacement parameters in urea from accurate powder X-ray diffraction. Acta Crystallographica Section A: Foundations of Crystallography, 75, 600-609. https://doi.org/10.1107/S205327331900799X

Garg, N., Özçelik, V. O., Skibsted, J. & White, C. E. (2019). Nanoscale Ordering and Depolymerization of Calcium Silicate Hydrates in the Presence of Alkalis. Journal of Physical Chemistry C, 123(40), 24873-24883. https://doi.org/10.1021/acs.jpcc.9b06412

Baio, J. E., Jaye, C., Sullivan, E., Rasmussen, M. H., Fischer, D. A., Gorb, S. & Weidner, T. (2019). NEXAFS imaging to characterize the physio-chemical composition of cuticle from African Flower Scarab Eudicella gralli. Nature Communications, 10(1), 1-8. Artikel 4758. https://doi.org/10.1038/s41467-019-12616-5

Thomas, S. P., Kumar, V., Alhameedi, K. & Guru Row, T. N. (2019). Non-Classical Synthons: Supramolecular Recognition by S⋅⋅⋅O Chalcogen Bonding in Molecular Complexes of Riluzole. Chemistry - A European Journal, 25(14), 3591-3597. https://doi.org/10.1002/chem.201805131

Frich, C. K., Krüger, F., Walther, R., Domar, C., Andersen, A. H. F., Tvilum, A., Dagnæs-Hansen, F., Denton, P. W., Tolstrup, M., Paludan, S. R., Münch, JJ. & Zelikin, A. N. (2019). Non-covalent hitchhiking on endogenous carriers as a protraction mechanism for antiviral macromolecular prodrugs. Journal of Controlled Release, 294, 298-310. https://doi.org/10.1016/j.jconrel.2018.12.016

Wittig, N. K., Birkbak, M., Bach-Gansmo, F. L., Pacureanu, A., Okkels, M. W., Brüel, A., Thomsen, J. S. & Birkedal, H. (2019). No Signature of Osteocytic Osteolysis in Cortical Bone from Lactating NMRI Mice. Calcified Tissue International, 105(3), 308-315. https://doi.org/10.1007/s00223-019-00569-2

Krüger, F., Kumar, V., Monge, P., Conzelmann, C., Smith, N., Gothelf, K. V., Tolstrup, M., Münch, J. & Zelikin, A. N. (2019). Nucleic Acids as a Nature-Inspired Scaffold for Macromolecular Prodrugs of Nucleoside Analogues. Advanced Science, 6(6), Artikel 1802095. https://doi.org/10.1002/advs.201802095

Nielsen, S. D., Paegle, I., Borisov, S. M., Kjeldsen, K. U., Røy, H., Skibsted, J. & Koren, K. (2019). Optical sensing of ph and o₂ in the evaluation of bioactive self-healing cement. ACS Omega, 4(23), 20237-20243. https://doi.org/10.1021/acsomega.9b02541

Stingaciu, M., Eikeland, A. Z., H. Gjørup, F., Deledda, S. & Christensen, M. (2019). Optimization of magnetic properties in fast consolidated SrFe₁₂O₁₉ nanocrystallites. R S C Advances, 9(23), 12968-12976. https://doi.org/10.1039/C9RA02440A

Christensen, C. K., Mamakhel, M. A. H., Balakrishna, A. R., Iversen, B. B., Chiang, Y. M. & Ravnsbæk, D. B. (2019). Order-disorder transition in nano-rutile TiO₂ anodes: A high capacity low-volume change Li-ion battery material. Nanoscale, 11(25), 12347-12357. https://doi.org/10.1039/c9nr01228a

Giardinetti, M., Jessen, N. I., Christensen, M. L. & Jørgensen, K. A. (2019). Organocatalytic [10+4] cycloadditions for the synthesis of functionalised benzo[a]azulenes. Chemical Communications, 55(2), 202-205. https://doi.org/10.1039/C8CC08551J

Golbek, T. W., Padmanarayana, M., Roeters, S. J., Weidner, T., Johnson, C. P. & Baio, J. E. (2019). Otoferlin C2F Domain-Induced Changes in Membrane Structure Observed by Sum Frequency Generation. Biophysical Journal, 117(10), 1820-1830. https://doi.org/10.1016/j.bpj.2019.09.010

Klös, G., Andersen, A., Miola, M., Birkedal, H. & Sutherland, D. S. (2019). Oxidation controlled lift-off of 3D chiral plasmonic Au nano-hooks. Nano Research, 12(7), 1635-1642. https://doi.org/10.1007/s12274-019-2412-x

Rezayee, N., Lauridsen, V. H., Naesborg, L., Nguyen, T. V. Q., Tobiesen, H. N. & Jorgensen, K. A. (2019). Oxidative organocatalysed enantioselective coupling of indoles with aldehydes that forms quaternary carbon stereocentres. Chemical Science, 10(12), 3586-3591. https://doi.org/10.1039/c9sc00196d

Lu, H., Schäfer, A., Lutz, H., Roeters, S. J., Lieberwirth, I., Muñoz-Espí, R., Hood, M. A., Bonn, M. & Weidner, T. (2019). Peptide-Controlled Assembly of Macroscopic Calcium Oxalate Nanosheets. Journal of Physical Chemistry Letters, 10(9), 2170-2174. https://doi.org/10.1021/acs.jpclett.9b00684

Nielsen, T. B., Thomsen, R. P., Mortensen, M. R., Kjems, J., Nielsen, P. F., Nielsen, T. E., Kodal, A. L. B., Cló, E. & Gothelf, K. V. (2019). Peptide-Directed DNA-Templated Protein Labelling for The Assembly of a Pseudo-IgM. Angewandte Chemie International Edition, 58(27), 9068-9072. https://doi.org/10.1002/anie.201903134

Stefanescu, I., Christensen, M., Hall-Wilton, R., Holm-Dahlin, S., Iversen, K., Klein, M., Mannix, D., Schefer, J., Schmidt, C. J., Schweika, W. & Stuhr, U. (2019). Performance study of the Jalousie detector baseline design for the ESS thermal powder diffractometer HEIMDAL through GEANT4 simulations. Journal of Instrumentation, 14(10), Artikel P10020. https://doi.org/10.1088/1748-0221/14/10/P10020

Lo Presti, L., Moret, M. & Rizzato, S. (2019). Phase stability and morphology of gel grown crystals: The case of cdcl₂-bpp polymeric system. Crystals, 9(7), Artikel 363. https://doi.org/10.3390/cryst9070363

Ma, F., Xie, H.-B., Elm, J., Shen, J., Chen, J. & Vehkamaki, H. (2019). Piperazine enhancing sulfuric acid-based new particle formation: implications for the atmospheric fate of piperazine. Environmental Science & Technology, 53(15), 8785-8795. https://doi.org/10.1021/acs.est.9b02117

Najarzadeh, Z., Mohammad-Beigi, H., Pedersen, J. N., Christiansen, G., Sønderby, T. V., Shojaosadati, S. A., Morshedi, D., Strømgaard, K., Meisl, G., Sutherland, D., Pedersen, J. S. & Otzen, D. (2019). Plant polyphenols inhibit functional amyloid and biofilm formation in Pseudomonas strains by directing monomers to off-pathway oligomers. Biomolecules, 9(11), Artikel 659. https://doi.org/10.3390/biom9110659

Vu-Quang, H., Vinding, M. S., Nielsen, T., Ullisch, M. G., Nielsen, N. C., Nguyen, D. T. & Kjems, J. (2019). Pluronic F127-folate coated super paramagenic iron oxide nanoparticles as contrast agent for cancer diagnosis in magnetic resonance imaging. Polymers, 11(4), Artikel 743. https://doi.org/10.3390/polym11040743

Grinderslev, J. B., Moller, K. T., Yan, Y., Chen, X.-M., Li, Y., Li, H.-W., Zhou, W., Skibsted, J., Chen, X. & Jensen, T. R. (2019). Potassium octahydridotriborate: diverse polymorphism in a potential hydrogen storage material and potassium ion conductor. Dalton Transactions, 48(24), 8872-8881. https://doi.org/10.1039/c9dt00742c

De Vrieze, J., Louage, B., Deswarte, K., Zhong, Z., De Coen, R., Van Herck, S., Nuhn, L., Kaas Frich, C., Zelikin, A. N., Lienenklaus, S., Sanders, N. N., Lambrecht, B. N., David, S. A. & De Geest, B. G. (2019). Potent Lymphatic Translocation and Spatial Control Over Innate Immune Activation by Polymer–Lipid Amphiphile Conjugates of Small-Molecule TLR7/8 Agonists. Angewandte Chemie - International Edition, 58(43), 15390-15395. https://doi.org/10.1002/anie.201905687

Smith, A. A. A., Hall, A., Wu, V. & Xu, T. (2019). Practical Prediction of Heteropolymer Composition and Drift. ACS Macro Letters, 8(1), 36-40. https://doi.org/10.1021/acsmacrolett.8b00813

Stock, S. R., Laugesen, M., Birkedal, H., Jakus, A., Shah, R., Park, J. S. & Almer, J. D. (2019). Precision lattice parameter determination from transmission diffraction of thick specimens with irregular cross sections. Journal of Applied Crystallography, 52, 40-46. https://doi.org/10.1107/S1600576718017132

Reyes-Rodríguez, G. J., Rezayee, N. M., Vidal-Albalat, A. & Jørgensen, K. A. (2019). Prevalence of Diarylprolinol Silyl Ethers as Catalysts in Total Synthesis and Patents. Chemical Reviews, 119(6), 4221-4260. https://doi.org/10.1021/acs.chemrev.8b00583

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