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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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Teschome, B., Facsko, S., Gothelf, K. V. & Keller, A. (2015). Alignment of gold nanoparticle-decorated DNA origami nanoutubes substrate prepatterning vs. molecular combing. Langmuir, 31(46), 12823-12829. https://doi.org/10.1021/acs.langmuir.5b02569

Sadikin, Y., Stare, K., Schouwink, P., Brix Ley, M., Jensen, T. R., Meden, A. & Černý, R. (2015). Alkali metal - Yttrium borohydrides: The link between coordination of small and large rare-earth. Journal of Solid State Chemistry, 225, 231-239. https://doi.org/10.1016/j.jssc.2014.12.018

Paz, B. M., Jiang, H. & Jørgensen, K. A. (2015). Aminocatalysis: Beyond steric shielding and hydrogen-bonding. Chemistry - A European Journal, 21(5), 1846-1853. https://doi.org/10.1002/chem.201405038

Jepsen, L. H., Lee, Y. S., Černý, R., Sarusie, R. S., Cho, Y. W., Besenbacher, F. & Jensen, T. R. (2015). Ammine Calcium and Strontium Borohydrides: Syntheses, Structures, and Properties. ChemSusChem, 8(20), 3472-3482. https://doi.org/10.1002/cssc.201500713

Roedern, E. & Jensen, T. R. (2015). Ammine-Stabilized Transition-Metal Borohydrides of Iron, Cobalt, and Chromium: Synthesis and Characterization. Inorganic Chemistry, 54(21), 10477–10482. https://doi.org/10.1021/acs.inorgchem.5b01959

Madsen, R. B., Sigaard Christensen, P., Houlberg, K., Lappa, E., Mørup, A. J., Klemmer, M., Olsen, E. M., Jensen, M. M., Becker, J., Iversen, B. B. & Glasius, M. (2015). Analysis of organic gas phase compounds formed by hydrothermal liquefaction of Dried Distillers Grains with Solubles. Bioresource Technology, 192, 826-830. https://doi.org/10.1016/j.biortech.2015.05.095

Plazzotta, B., Fegyver, E., Mészáros, R. & Pedersen, J. S. (2015). Anisometric Polyelectrolyte/Mixed Surfactant Nanoassemblies Formed by the Association of Poly(diallyldimethylammonium chloride) with Sodium Dodecyl Sulfate and Dodecyl Maltoside. Langmuir, 31(26), 7242-7250. https://doi.org/10.1021/acs.langmuir.5b01280

Baranowska-Laczkowska, A., Fernandez, B., Rizzo, A. & Pawlowski, F. L. (2015). Applicability of medium-size basis sets in calculations of molecular dynamic polarisabilities. Molecular Physics, 113(13-14), 1786-1793. https://doi.org/10.1080/00268976.2015.1014004

Shi, C., Shi, Z., Hu, X., Zhao, R. & Chong, L. (2015). A review on alkali-aggregate reactions in alkali-activated mortars/concretes made with alkali-reactive aggregates. Materials and Structures, 48(3), 621-628. https://doi.org/10.1617/s11527-014-0505-2

Liu, L., Li, Y., Xia, D., Bortolini, C., Zhang, S., Yang, Y., Pedersen, J. S., Wang, C., Besenbacher, F. & Dong, M. (2015). A self-assembled nanopatch with peptide-organic multilayers and mechanical properties. Nanoscale, 7(6), 2250-2254. https://doi.org/10.1039/c4nr03797a

Næsborg, L., Halskov, K. S., Tur Espinosa, F., Mønsted, S. M. N. & Jørgensen, K. A. (2015). Asymmetric γ-Allylation of α,β-Unsaturated Aldehydes by Combined Organocatalysis and Transition-Metal Catalysis. Angewandte Chemie International Edition, 54(35), 10193-10197. https://doi.org/10.1002/anie.201504749

Massling, A., Nielsen, I. E., Kristensen, D., Christensen, J. H., Sørensen, L. L., Jensen, B., Nguyen, Q., Nøjgaard, J. K., Glasius, M. & Skov, H. (2015). Atmospheric black carbon and sulfate concentrations in Northeast Greenland. Atmospheric Chemistry and Physics, 15, 9681-9692. https://doi.org/10.5194/acp-15-9681-2015

Equbal, A., Bjerring, M., Madhu, P. K. & Nielsen, N. C. (2015). A unified heteronuclear decoupling strategy for magic-angle-spinning solid-state NMR spectroscopy. Journal of Chemical Physics, 142(18), Article 184201. https://doi.org/10.1063/1.4919634

König, C. & Christiansen, O. (2015). Automatic determination of important mode–mode correlations in many-mode vibrational wave functions. Journal of Chemical Physics, 142, Article 144115. https://doi.org/10.1063/1.4916518

Hill, C. H., Viuff, A., Spratley, S. J., Salamone, S., Christensen, S. H., Read, R. J., Moriarty, N. W., Jensen, H. H. & Deane, J. E. (2015). Azasugar inhibitors as pharmacological chaperones for Krabbe disease. Chemical Science, 6(5), 3075-3086. https://doi.org/10.1039/c5sc00754b

Vestergaard, M., Kraft, J. F., Vosegaard, T., Thøgersen, L. & Schiøtt, B. (2015). Bicelles and Other Membrane Mimics: Comparison of Structure, Properties, and Dynamics from MD Simulations. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(52), 15831-15843. https://doi.org/10.1021/acs.jpcb.5b08463

Rágyanszki, A., Gerlei, K. Z., Surányi, A., Kelemen, A., Jensen, S. K., Csizmadia, I. G. & Viskolcz, B. (2015). Big data reduction by fitting mathematical functions: A search for appropriate functions to fit Ramachandran surfaces. Chemical Physics Letters, 625, 91-97. https://doi.org/10.1016/j.cplett.2015.02.031

Andersen, J., Ladefoged, L. K., Wang, D., Kristensen, T. N. B., Bang-Andersen, B., Kristensen, A. S., Schiøtt, B. & Stromgaard, K. (2015). Binding of the Multimodal Antidepressant Drug Vortioxetine to the Human Serotonin Transporter. ACS Chemical Neuroscience, 6(11), 1892-1900. https://doi.org/10.1021/acschemneuro.5b00225

Kim, B., An, J., Fapyane, D. & Chang, I. S. (2015). Bioelectronic platforms for optimal bio-anode of bio-electrochemical systems: From nano- to macro scopes. Bioresource Technology, 195, 2-13. https://doi.org/10.1016/j.biortech.2015.06.061

Weidner, T. (2015). Biohybrids. In Functional Soft Matter Lecture Notes (pp. 2-9 )

Jensen, A. C. S., Hinge, M. & Birkedal, H. (2015). Calcite nucleation on the surface of PNIPAM-PAAc micelles studied by time resolved in situ PXRD. CrystEngComm, 17(36), 6940-6946. https://doi.org/10.1039/c5ce00424a

Godtliebsen, I. H. & Christiansen, O. (2015). Calculating vibrational spectra without determining excited eigenstates: Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states. The Journal of Chemical Physics, 143(13), Article 134108. https://doi.org/10.1063/1.4932010

Sevelsted, T. F. & Skibsted, J. (2015). Carbonation of C-S-H and C-A-S-H samples studied by ¹³C, ²⁷Al and ²⁹Si MAS NMR spectroscopy. Cement and Concrete Research, 71, 56-65. https://doi.org/10.1016/j.cemconres.2015.01.019

Shi, Z., Lothenbach, B., Geiker, M. R., Kaufmann, J., Garzon, S. F. & Skibsted, J. (2015). Carbonation of Portland cement mortars including metakaolin and limestone. In Proceedings of the 14th International Congress on the Chemistry of Cement (pp. 441)

Maeno, A., Sindhikara, D., Hirata, F., Otten, R., Dahlquist, F. W., Yokoyama, S., Akasaka, K., Mulder, F. A. A. & Kitahara, R. (2015). Cavity as a Source of Conformational Fluctuation and High-Energy State: High-Pressure NMR Study of a Cavity-Enlarged Mutant of T4Lysozyme. Biophysical Journal, 108(1), 133-45. https://doi.org/10.1016/j.bpj.2014.11.012

Lian, Z., Friis, S. D. & Skrydstrup, T. (2015). C–H Activation Dependent Pd-Catalyzed Carbonylative Coupling of (Hetero)Aryl Bromides and Polyfluoroarenes. Chemical Communications, 51(10), 1870-1873. https://doi.org/10.1039/c4cc09303h

Tumanov, N. A., Safin, D. A., Richter, B., Łodziana, Z., Jensen, T. R., Garcia, Y. & Filinchuk, Y. (2015). Challenges in the synthetic routes to Mn(BH₄)₂: insight into intermediate compounds. Dalton Transactions , 44(14), 6571-80. https://doi.org/10.1039/c4dt03807j

Li, R., Pérez, B., Jian, H., Jensen, M. M., Gao, R., Dong, MD., Glasius, M. & Guo, Z. (2015). Characterization and mechanism insight of accelerated catalytic promiscuity of Sulfolobus tokodaii (ST0779) peptidase for aldol addition reaction. Applied Microbiology and Biotechnology, 99(22), 9625-9634. https://doi.org/10.1007/s00253-015-6758-z

Wolf, H., Jørgensen, M. R. V., Chen, Y. S., Herbst-Irmer, R. & Stalke, D. (2015). Charge density investigations on [2,2]-paracyclophane - In data we trust. Acta Crystallographica Section B: Structural Science, 71(1), 10-19. https://doi.org/10.1107/S2052520614026080

Thomsen, M. K., Dange, D., Jones, C. & Overgaard, J. (2015). Chemical Bonding and Electronic Localization in a Ga^I Amide. Chemistry - A European Journal, 21(41), 14460-14470. https://doi.org/10.1002/chem.201500760

Miloskovska, E., Friedrichs, C., Hristova-Bogaerds, D., Persenair, O., van Duin, M., Hansen, M. R. & de With, G. (2015). Chemical Mapping of Silica Prepared via Sol-Gel Reaction in Rubber Nanocomposites. Macromolecules, 48(4), 1093-1103. https://doi.org/10.1021/ma5020929

Kristensen, T. B., Du, L., Nguyen, Q. T., Nøjgaard, J. K., Koch, C. B., Nielsen, O. F., Hallar, A. G., Lowenthal, D. H., Nekat, B., Pinxteren, D. V., Herrmann, H., Glasius, M., Kjaergaard, H. G. & Bilde, M. (2015). Chemical properties of HULIS from three different environments. Journal of Atmospheric Chemistry, 72(1), 65-80. https://doi.org/10.1007/s10874-015-9302-8, https://doi.org/10.1007/s10874-015-9302-8

Christensen, H. M., Oscarson, S. & Jensen, H. H. (2015). Common side reactions of the glycosyl donor in chemical glycosylation. Carbohydrate Research, 408, 51-95. https://doi.org/10.1016/j.carres.2015.02.007

Eriksen, J. J., Matthews, D., Jørgensen, P. & Gauss, J. (2015). Communication: The performance of non-iterative coupled cluster quadruples models. The Journal of Chemical Physics, 143, Article 041101.

Nielsen, C. B. O., Sorensen, H. O. & Kongsted, J. (2015). Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers. The Journal of Physical Chemistry A, 119(10), 1906-1916. https://doi.org/10.1021/jp5122849

Shi, Z., Shi, C., Zhao, R. & Wan, S. (2015). Comparison of alkali-silica reactions in alkali-activated slag and Portland cement mortars. Materials and Structures, 48(3), 743-751. https://doi.org/10.1617/s11527-015-0535-4

Enemark-Rasmussen, K., Moesgaard, M., Køhler, L. L., Tran, T. T. & Skibsted, J. (2015). Comparison of the pozzolanic reactivity for flash and soak calcined clays in Portland cement blends. In K. Scrivener & A. Favier (Eds.), Calcined Clays for Sustainable Concrete: Proceedings of the 1st International Conference on Calcined Clays for Sustainable Concrete (pp. 151-157). Springer. https://doi.org/10.1007/978-94-017-9939-3_19

Rodriguez, E. T., Richardson, I. G., Black, L., Boehm-Courjault, E., Nonat, A. & Skibsted, J. (2015). Composition, silicate anion structure and morphology of calcium silicate hydrates (C-S-H) synthesised by silica-lime reaction and by controlled hydration of tricalcium silicate (C₃S). Advances in Applied Ceramics, 114(7), 362-371. https://doi.org/10.1179/1743676115Y.0000000038

Szórád, J. J., Faragó, E. P., Rágyanszki, A., Cimino, F. A., Fiser, B., Owen, M. C., Jójárt, B., Morgado, C. A., Szori, M., Jensen, S. K., Csizmadia, I. G. & Viskolcz, B. (2015). Conformation change of opiorphin derivates. A theoretical study of the radical initiated epimerization of opiorphin. Chemical Physics Letters, 626, 29-38. https://doi.org/10.1016/j.cplett.2015.03.008

Zhuang, X., Gehrig, D., Forler, N., Liang, H., Wagner, M., Hansen, M. R., Laquai, F., Zhang, F. & Feng, X. (2015). Conjugated Microporous Polymers with Dimensionality-Controlled Heterostructures for Green Energy Devices. Advanced Materials, 27(25), 3789-3796. https://doi.org/10.1002/adma.201501786

Mørup, A., Becker, J., Christensen, P. R., Houlberg, K., Lappa, E., Klemmer, M., Madsen, R. B., Glasius, M. & Iversen, B. B. (2015). Construction and Commissioning of a Continuous Reactor for Hydrothermal Liquefaction. Industrial & Engineering Chemistry Research, 54(22), 5935–5947. https://doi.org/10.1021/acs.iecr.5b00683

Hass, M. A. S. & Mulder, F. A. A. (2015). Contemporary NMR Studies of Protein Electrostatics. Annual Review of Biophysics, 44, 53-75. https://doi.org/10.1146/annurev-biophys-083012-130351

Plazzotta, B., Dai, J., Behrens, M. A., Furó, I. & Pedersen, J. S. (2015). Core Freezing and Size Segregation in Surfactant Core-Shell Micelles. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 119(33), 10798-806. https://doi.org/10.1021/acs.jpcb.5b06041

Slater, C. S., Blake, S., Brouard, M., Lauer, A., Vallance, C., Bohun, C. S., Christensen, L., Nielsen, J. H., Johansson, M. P. & Stapelfeldt, H. (2015). Coulomb-explosion imaging using a pixel-imaging mass-spectrometry camera. Physical Review A, 91(5), Article 053424. https://doi.org/10.1103/PhysRevA.91.053424

Humphries, T. D., Ley, M. B., Frommen, C., Munroe, K. T., Jensen, T. R. & Hauback, B. C. (2015). Crystal structure and in situ decomposition of Eu(BH₄)₂ and Sm(BH₄)₂. Journal of Materials Chemistry A, 3(2), 691-698. https://doi.org/10.1039/c4ta04080e

Wahlberg, N., Runcevski, T., Dinnebier, R. E., Fischer, A., Eggert, G. & Iversen, B. B. (2015). Crystal Structure of Thecotrichite, an Efflorescent Salt on Calcareous Objects Stored in Wooden Cabinets. Crystal Growth & Design, 15(6), 2795-2800. https://doi.org/10.1021/acs.cgd.5b00197

Jensen, K. M. Ø., Blichfeld, A. B., Bauers, S. R., Wood, S. R., Dooryhée, E., Johnson, D. C., Iversen, B. B. & Billinge, S. J. L. (2015). Demonstration of thin film pair distribution function analysis (tfPDF) for the study of local structure in amorphous and crystalline thin films. IUCrJ, 2(5), 481-489. https://doi.org/10.1107/S2052252515012221

Pilkington, G. A., Pedersen, J. S. & Briscoe, W. H. (2015). Dendrimer nanofluids in the concentrated regime: From polymer melts to soft spheres. Langmuir, 31(11), 3333-3342. https://doi.org/10.1021/la504870f

De Belie, N., Schrivener, K., Lothenbach, B., Gruyaert, E., Skibsted, J., Snellings, R., Villagran, Y. & Vollpracht, A. (2015). Determination of the degree of reaction of fly ash in blended cement pastes. In Proceedings of the 14th International Congress on the Chemistry of Cement (pp. 298)

Hellstern, H. C., Becker, J., Hald, P., Bremholm, M., Mamakhel, M. A. H. & Iversen, B. B. (2015). Development of a Dual-Stage Continuous Flow Reactor for Hydrothermal Synthesis of Hybrid Nanoparticles. Industrial & Engineering Chemistry Research, 54(34), 8500-8508. https://doi.org/10.1021/acs.iecr.5b02899

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Department of Chemistry