Department of Chemistry

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 Department of Chemistry Research Publications

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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Brandt, R. G., Sveegaard, S. G., Xiao, M., Yue, W., Du, Z., Qiu, M., Angmo, D., Andersen, T. R., Krebs, F. C., Yang, R. & Yu, D. (2016). Novel high band gap pendant-borylated carbazole polymers with deep HOMO levels through direct N+=B- interaction for organic photovoltaics. Journal of Materials Chemistry C, 4(20), 4393-4401. https://doi.org/10.1039/c6tc01208f
Gradišek, A., Jepsen, L. H., Jensen, T. R. & Conradi, M. S. (2016). Nuclear Magnetic Resonance Study of Molecular Dynamics in Ammine Metal Borohydride Sr(BH4)2(NH3)2. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, 120(43), 24646-24654. https://doi.org/10.1021/acs.jpcc.6b08162
Kumar, C., Kjærgaard, T., Helgaker, T. & Fliegl, H. (2016). Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting. Journal of Chemical Physics, 145(23), Article 234108. https://doi.org/10.1063/1.4972212
Sobhani, S., Zarifi, F. & Skibsted, J. (2016). One-pot synthesis of terminal vinylphosphonates catalyzed by pyridine grafted GO as reusable acid-base bifunctional catalyst. ChemistrySelect, 1(11), 2945-2951. https://doi.org/10.1002/slct.201600517
Koefoed, L., Shimizu, K., Pedersen, S. U., Daasbjerg, K., Kuhn, A. & Zigah, D. (2016). One-Step Preparation of Bifunctionalized Surfaces by Bipolar Electrografting. RSC Advances, 6(5), 3882-3887. https://doi.org/10.1039/C5RA20156J
Pham Hoang Ngan, U., Ngo Van Nong, U., Le Thanh Hung, U., Balke, B., Han, L., Hedegaard, E. M. J., Linderoth, S. & Pryds, N. (2016). On the Challenges of Reducing Contact Resistances in Thermoelectric Generators Based on Half-Heusler Alloys. Journal of Electronic Materials, 45(1), 594-601. https://doi.org/10.1007/s11664-015-4156-z
Heuckendorff, M. & Jensen, H. H. (2016). On the Gluco/Manno Paradox: Practical α-Glucosylations by NIS/TfOH Activation of 4,6-O-Tethered Thioglucoside Donors. European Journal of Organic Chemistry, 2016(30), 5136-5145. https://doi.org/10.1002/ejoc.201600899
Madsen, M. M., Jones, N. C., Nielsen, S. B. & Hoffmann, S. V. (2016). On the wavelength dependence of UV induced thymine photolesions: A Synchrotron Radiation Circular Dichroism study. Physical Chemistry Chemical Physics, 18, 30436-30443. https://doi.org/10.1039/C6CP05980E
Preus, S., Hildebrandt, L. L. & Birkedal, V. (2016). Optimal Background Estimators in Single-Molecule FRET Microscopy. Biophysical Journal, 111(6), 1278-1286. https://doi.org/10.1016/j.bpj.2016.07.047
Ettenhuber, P., Baudin, P., Kjærgaard, T., Jørgensen, P. & Kristensen, K. (2016). Orbital spaces in the divide-expand-consolidate coupled cluster method. The Journal of Chemical Physics, 144(16), Article 164116. https://doi.org/10.1063/1.4947019
Wittig, N., Bach-Gansmo, F. L., Birkbak, M. E., Laugesen, M., Brüel, A., Thomsen, J. S. & Birkedal, H. (2016). Organ and tissue level properties are more sensitive to age than osteocyte lacunar characteristics in rat cortical bone. Bone Reports, 4, 28-34. https://doi.org/10.1016/j.bonr.2015.11.003
Overgaard, M. K., Poulsen, P. H. & Jørgensen, K. A. (2016). Organocatalytic asymmetric α-arylation of aldehydes. In C. A. M. Afonso, N. R. Candeias, D. P. Simao, A. F. Trindade, J. A. S. Coelho, B. Tan & R. Franzen (Eds.), Comprehensive organic chemistry experiments for the laboratory classroom Royal Society of Chemistry.
Ventura, A. M., Glaus, F., Vergura, S. & Jørgensen, K. A. (2016). Organocatalytic Strategy for the Enantioselective Cycloaddition to Trisubstituted Nitroolefins to Create Spirocyclohexene-Oxetane Scaffolds. Angewandte Chemie International Edition, 55(7), 2478-2482. https://doi.org/10.1002/anie.201510731
Bach-Gansmo, F. L., Brüel, A., Jensen, M. V., Ebbesen, E. N., Birkedal, H. & Thomsen, J. S. (2016). Osteocyte lacunar properties and cortical microstructure in human iliac crest as a function of age and sex. Bone, 91, 11-19. https://doi.org/10.1016/j.bone.2016.07.003
Ibsen, C. J. S., Gebauer, D. & Birkedal, H. (2016). Osteopontin Stabilizes Metastable States Prior to Nucleation during Apatite Formation. Chemistry of Materials, 28(23), 8550-8555. https://doi.org/10.1021/acs.chemmater.6b01088
Schmitt, J., Kjellman, T., Kwasniewski, P., Meneau, F., Pedersen, J. S., Edler, K. J., Rennie, A. R., Alfredsson, V. & Imperor-Clerc, M. (2016). Outset of the Morphology of Nanostructured Silica Particles during Nucleation Followed by Ultrasmall-Angle X-ray Scattering. Langmuir, 32(20), 5162-5172. https://doi.org/10.1021/acs.langmuir.6b00572
Hammer, N., Leth, L., Stiller, J., Jensen, M. E. & Jørgensen, K. A. (2016). Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes. Chemical Science, 7(6), 3649-3657. https://doi.org/10.1039/C6SC00185H
Shen, C., Li, W., Yin, H., Spannenberg, A., Skrydstrup, T. & Wu, X.-F. (2016). Palladium-Catalyzed Carbonylative Synthesis of 2,3-Disubstituted Chromones. Advanced Synthesis and Catalysis, 358(3), 466-479. https://doi.org/10.1002/adsc.201500858
Jensen, M. T., Juhl, M., Nielsen, D. U., Jacobsen, M. F., Lindhardt, A. T. & Skrydstrup, T. (2016). Palladium-Catalyzed Carbonylative α-Arylation of tert-Butyl Cyanoacetate with (Hetero)aryl Bromides. The Journal of Organic Chemistry, 81(4), 1358-1366. https://doi.org/10.1021/acs.joc.5b02897
Viuff, A. H., Heuckendorff, M. & Jensen, H. H. (2016). P-chlorobenzyl ether: A p-methoxybenzyl ether in disguise. Organic Letters, 18(22), 5773-5775. https://doi.org/10.1021/acs.orglett.6b02672
Nielsen, D. U., Lian, Z., Lindhardt, A. T. & Skrydstrup, T. (2016). Pd-Catalyzed Carbonylative Synthesis of Other-Membered Heterocycles from Aryl Halides. In X.-F. Wu & M. Beller (Eds.), Topics in Heterocyclic Chemistry: Transition Metal Catalyzed Carbonylative Synthesis of Heterocycles (Vol. 42, pp. 89-99). Springer.
Emanuelsson, E. U., Tschiskale, M. & Bilde, M. (2016). Phase State and Saturation Vapor Pressure of Submicron Particles of meso-Erythritol at Ambient Conditions. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 120(36), 7183-7191. https://doi.org/10.1021/acs.jpca.6b04349
Erdogan, D. A., Sevim, M., Kısa, E., Emiroglu, D. B., Karatok, M., Vovk, E. I., Bjerring, M., Akbey, Ü., Metin, Ö. & Ozensoy, E. (2016). Photocatalytic Activity of Mesoporous Graphitic Carbon Nitride (mpg-C3N4) Towards Organic Chromophores Under UV and VIS Light Illumination. Topics in Catalysis, 59(15), 1305-1318. https://doi.org/10.1007/s11244-016-0654-3
Hinton, T. M., Zuwala, K., Deffrasnes, C., Todd, S., Shi, S., Marsh, G. A., Dearnley, M., Wohl, B. M., Tolstrup, M. & Zelikin, A. N. (2016). Polyanionic Macromolecular Prodrugs of Ribavirin: Antiviral Agents with a Broad Spectrum of Activity. Advanced Healthcare Materials, 5(5), 534-540. https://doi.org/10.1002/adhm.201500841
Jensen, B. E. B., Davila, I. & Zelikin, A. N. (2016). Poly(vinyl alcohol) Physical Hydrogels: Matrix-Mediated Drug Delivery Using Spontaneously Eroding Substrate. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 120(26), 5916-5926. https://doi.org/10.1021/acs.jpcb.6b01381
Garg, N. & Skibsted, J. (2016). Pozzolanic reactivity of a calcined interstratified illite/smectite (70/30) clay. Cement and Concrete Research, 79, 101-111. https://doi.org/10.1016/j.cemconres.2015.08.006
Hollanders, S., Adriaens, R., Skibsted, J., Cizer, Ö. & Elsen, J. (2016). Pozzolanic reactivity of pure calcined clays. Applied Clay Science, 132-133, 552-560. https://doi.org/10.1016/j.clay.2016.08.003
Madsen, R. B., Biller, P., Jensen, M. M., Becker, J., Iversen, B. B. & Glasius, M. (2016). Predicting the Chemical Composition of Aqueous Phase from Hydrothermal Liquefaction of Model Compounds and Biomasses. Energy & Fuels, 30(12), 10470-10483. https://doi.org/10.1021/acs.energyfuels.6b02007
Aznauryan, M., Sondergaard, S., Noer, S., Schiott, B. & Birkedal, V. (2016). Probing the Folding Dynamics of Human Telomeric G-Quadruplex with Single-Molecule FRET. Biophysical Journal, 110(3), 406A-406A. https://doi.org/10.1016/j.bpj.2015.11.2194
Filso, M. O., Eikeland, E. & Iversen, B. B. (2016). Procrystal Analysis as a Tool for the Visualization of Ion Migration Pathways. AIP Conference Proceedings, 1765, Article 020010. https://doi.org/10.1063/1.4961902
Biller, P. & Ross, A. (2016). Production of biofuels via hydrothermal conversion. In R. Luque, C. Lin, K. Wilson & J. Clark (Eds.), Handbook of Biofuels Production: Processes and Technologies: Second Edition (2 ed., pp. 509-547). Woodhead Publishing. https://doi.org/10.1016/B978-0-08-100455-5.00017-5
Krissanaprasit, A., Madsen, M., Knudsen, J. B., Gudnason, D. A., Surareungchai, W., Birkedal, V. & Gothelf, K. V. (2016). Programmed Switching of Single Polymer Conformation on DNA Origami. ACS Nano, 10(2), 2243–2250. https://doi.org/10.1021/acsnano.5b06894
Nied, D., Enemark-Rasmussen, K., L'Hopital, E., Skibsted, J. & Lothenbach, B. (2016). Properties of magnesium silicate hydrates (M-S-H). Cement and Concrete Research, 79, 323-332. https://doi.org/10.1016/j.cemconres.2015.10.003
Aslan, H., Krissanaprasit, A., Besenbacher, F., Gothelf, K. V. & Dong, M. (2016). Protein patterning by a DNA origami framework. Nanoscale, 8(33), 15233-15240. https://doi.org/10.1039/C6NR03199D
Zensen, C., Villadsen, N., Winterer, F., Keiding, S. R. & Lohmüller, T. (2016). Pushing nanoparticles with light — A femtonewton resolved measurement of optical scattering forces. APL Photonics, 1(2), Article 026102. https://doi.org/10.1063/1.4945351
Eikeland, E., Spackman, M. A. & Iversen, B. B. (2016). Quantifying Host-Guest Interaction Energies in Clathrates of Dianin's Compound. Crystal Growth & Design, 16(12), 6858-6866. https://doi.org/10.1021/acs.cgd.6b00986
Morelle, F., Jepsen, L. H., Jensen, T. R., Sharma, M., Hagemann, H. & Filinchuk, Y. (2016). Reaction Pathways in Ca(BH4)2-NaNH2 and Mg(BH4)2-NaNH2 Hydrogen-Rich Systems. The Journal of Physical Chemistry Part C, 120(16), 8428-8435. https://doi.org/10.1021/acs.jpcc.6b00209
Kramer, S. (2016). Recent Advances in Gold-Catalyzed Intermolecular Aryl C-H Functionalization. Chemistry - A European Journal, 22(44), 15584–15598. https://doi.org/10.1002/chem.201602316
Glasius, M. & Goldstein, A. (2016). Recent Discoveries and Future Challenges in Atmospheric Organic Chemistry. Environmental Science & Technology, 50(6), 2754-2764. https://doi.org/10.1021/acs.est.5b05105
Brown, D. R., Heijl, R., Borup, K., Iversen, B. B., Palmqvist, A. & Snyder, G. J. (2016). Relating phase transition heat capacity to thermal conductivity and effusivity in Cu2Se. Physica Status Solidi. Rapid Research Letters, 10(8), 618-621. https://doi.org/10.1002/pssr.201600160
Equbal, A., Leskes, M., Nielsen, N. C., Madhu, P. K. & Vega, S. S. S. S. (2016). Relative merits of rCWA and XiX heteronuclear spin decoupling in solid-state magic-angle-spinning NMR spectroscopy: A bimodal Floquet analysis. Journal of Magnetic Resonance, 263, 55-64. https://doi.org/10.1016/j.jmr.2015.12.019
Heuckendorff, M., Poulsen, L. T. & Jensen, H. H. (2016). Remote Electronic Effects by Ether Protecting Groups Fine-Tune Glycosyl Donor Reactivity. The Journal of Organic Chemistry, 81(12), 4988-5006. https://doi.org/10.1021/acs.joc.6b00528
Fiser, B., Mucsi, Z., Gómez-Bengoa, E., Viskolcz, B., Jensen, S. K. & Csizmadia, I. G. (2016). Reply to comment on "Radicalicity: A scale to compare reactivities of radicals". Chemical Physics Letters, 654, 141. https://doi.org/10.1016/j.cplett.2016.04.035
Crivello, J. C., Dam, B., Denys, R. V., Dornheim, M., Grant, D. M., Huot, J., Jensen, T. R., de Jongh, P., Latroche, M., Milanese, C., Milčius, D., Walker, G. S., Webb, C. J., Zlotea, C. & Yartys, V. A. (2016). Review of magnesium hydride-based materials: development and optimisation. Applied Physics A: Materials Science & Processing, 122(2), Article 97. https://doi.org/10.1007/s00339-016-9602-0
Franz, J., Lelle, M., Peneva, K., Bonn, M. & Weidner, T. (2016). SAP(E) - A cell-penetrating polyproline helix at lipid interfaces. Biochimica et Biophysica Acta - Biomembranes, 1858(9), 2028-2034. https://doi.org/10.1016/j.bbamem.2016.05.021
Jakobsen, S. & Jensen, F. (2016). Searching the Force Field Electrostatic Multipole Parameter Space. Journal of Chemical Theory and Computation, 12(4), 1824-1832. https://doi.org/10.1021/acs.jctc.5b01187
Nguyen, Q. T., Glasius, M., Sørensen, L. L., Jensen, B., Skov, H., Birmili, W., Wiedensohler, A., Kristensson, A., Nøjgaard, J. K. & Massling, A. (2016). Seasonal variation of atmospheric particle number concentrations, new particle formation and atmospheric oxidation capacity at the high Arctic site Villum Research Station, Station Nord. Atmospheric Chemistry and Physics, 16(17), 11319-11336. https://doi.org/10.5194/acp-16-11319-2016
Ma, D., Li Manni, G., Olsen, J. & Gagliardi, L. (2016). Second-order perturbation theory for generalized active space self-consistent-field wave functions. Journal of Chemical Theory and Computation, 12(7), 3208-3213. https://doi.org/10.1021/acs.jctc.6b00382
Nuermaimaiti, A., Schultz-Falk, V., Lind Cramer , J., Svane, K. L., Hammer, B., Gothelf, K. V. & Linderoth, T. R. (2016). Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers. Chemical Communications, 52(97), 14023-14026. https://doi.org/10.1039/C6CC06876F
Wittenborn, T. R., Nielsen, T., Thomsen, J. S., Horsman, M. R. & Nygaard, J. V. (2016). Simulation of heterogeneous molecular delivery in tumours using μCT reconstructions and MRI validation. Microvascular Research, 108, 69-74. https://doi.org/10.1016/j.mvr.2016.08.004

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Department of Chemistry