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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Klahn, E. A., Gao, C., Gillon, B., Gukasov, A., Fabreges, X., Piltz, R. O., Jiang, S. & Overgaard, J. (2018). Mapping the magnetic anisotropy at the atomic scale in dysprosium single molecule magnets. Chemistry - A European Journal, 24(62), 16576-16581. https://doi.org/10.1002/chem.201803300

Dalgaard, K., Eikeland, E. Z., Sist, M. & Iversen, B. B. (2018). Maximum Entropy Method Visualization of Disorder and Ion Migration in Thermoelectric Cu2‐δSe. Advanced Theory and Simulations, 1(9), 1800068 pg. 1-5. Article 1800068. https://doi.org/10.1002/adts.201800068

Jensen, F. (2018). Method Calibration or Data Fitting? Journal of Chemical Theory and Computation, 14(9), 4651-4661. https://doi.org/10.1021/acs.jctc.8b00477

Roth, N., F. May, A., Ye, F., Chakoumakos, B. & Iversen, B. B. (2018). Model-free reconstruction of magnetic correlations in frustrated magnets. IUCrJ, 5(4), 410-416. https://doi.org/10.1107/S2052252518006590

Ladefoged, L. K., Munro, L. J., Juel Pedersen, A., Lummis, S. C. R., Bang-Andersen, B., Balle, T., Schiøtt, B. & Kristensen, A. S. (2018). Modeling and mutational analysis of the binding mode for the multimodal antidepressant drug vortioxetine to the human 5-HT3A receptor. Molecular Pharmacology, 94(6), 1421-1434. https://doi.org/10.1124/mol.118.113530

Mortensen, S. A., Sander, B., Jensen, R. K., Pedersen, J. S., Golas, M. M., Thiel, S. & Andersen, G. R. (2018). Models of the complement C1 complex. Proceedings of the National Academy of Sciences (PNAS), 115(17), E3866. Article E3866. https://doi.org/10.1073/pnas.1803577115

Zhirnov, A., Nam, E., Badun, G., Romanyuk, A., Ezhov, A., Melik-Nubarov, N. & Grozdova, I. (2018). Molecular Targets of the Hydrophobic Block of Pluronics in Cells: a Photo Affinity Labelling Approach. Pharmaceutical Research, 35(11), Article 205. https://doi.org/10.1007/s11095-018-2484-4

Du, J. J., Lai, F., Váradi, L., Williams, P. A., Groundwater, P. W., Platts, J. A., Hibbs, D. E. & Overgaard, J. (2018). Monoclinic paracetamol vs. Paracetamol-4,4^′ -bipyridine co-crystal; what is the difference? a charge density study. Crystals, 8(1), 1-16. Article 46. https://doi.org/10.3390/cryst8010046

Selnihhin, D., Sparvath, S. M., Preus, S., Birkedal, V. & Andersen, E. S. (2018). Multifluorophore DNA Origami Beacon as a Biosensing Platform. ACS Nano, 12(6), 5699–5708. https://doi.org/10.1021/acsnano.8b01510

Andersen, A., Krogsgaard, M. & Birkedal, H. (2018). Mussel-Inspired Self-Healing Double-Cross-Linked Hydrogels by Controlled Combination of Metal Coordination and Covalent Cross-Linking. Biomacromolecules, 19(5), 1402-1409. https://doi.org/10.1021/acs.biomac.7b01249

Saura-Múzquiz, M., Granados-Miralles, C., Andersen, H. L., Stingaciu, M., Avdeev, M. & Christensen, M. (2018). Nanoengineered High-Performance Hexaferrite Magnets by Morphology-Induced Alignment of Tailored Nanoplatelets. ACS Applied Nano Materials, 1(12), 6938-6949. https://doi.org/10.1021/acsanm.8b01748

Tamtoegl, A., Campi, D., Bremholm, M., Hedegaard, E. M. J., Iversen, B. B., Bianchi, M., Hofmann, P., Marzari, N., Benedek, G., Ellis, J. & Allison, W. (2018). Nanoscale surface dynamics of Bi2Te3(111): observation of a prominent surface acoustic wave and the role of van der Waals interactions. Nanoscale, 10(30), 14627-14636. https://doi.org/10.1039/c8nr03102a

Hoffmann, F., Xue, M., Schäfer, L. V. & Mulder, F. A. A. (2018). Narrowing the gap between experimental and computational determination of methyl group dynamics in proteins. Physical Chemistry Chemical Physics, 20(38), 24577-24590. https://doi.org/10.1039/c8cp03915a

Álvarez-Martos, I. & Ferapontova, E. (2018). “Negative electrocatalysis”-based specific analysis of dopamine at basal plane HOPG in the presence of structurally related catecholamines. Electrochemistry Communications, 89, 48-51. https://doi.org/10.1016/j.elecom.2018.02.019

Nielsen, D. U., Neumann, K. T. & Skrydstrup, T. (2018). New Directions in Transition Metal Catalyzed Carbonylation Chemistry. Chimia, 72(9), 606-609. https://doi.org/10.2533/chimia.2018.606

Zhang, J., Song, L., Borup, K., Jørgensen, M. R. V. & Iversen, B. B. (2018). New Insight on Tuning Electrical Transport Properties via Chalcogen Doping in n-type Mg3Sb2-Based Thermoelectric Materials. Advanced Energy Materials, 8(16), Article 1702776. https://doi.org/10.1002/aenm.201702776

Anankanbil, S., Pérez, B., Banerjee, C. & Guo, Z. (2018). New phenophospholipids equipped with multi-functionalities: Regiospecific synthesis and characterization. Journal of Colloid and Interface Science, 523, 169-178. https://doi.org/10.1016/j.jcis.2018.03.097

Arnold, F., Stan, R.-M., Mahatha, S. K., Lund, H. E., Curcio, D., Dendzik, M., Bana, H., Travaglia, E., Bignardi, L., Lacovig, P., Lizzit, D., Li, Z., Bianchi, M., Miwa, J. A., Bremholm, M., Lizzit, S., Hofmann, P. & Sanders, C. E. (2018). Novel single-layer vanadium sulphide phases. 2D materials, 5(4), Article 045009. https://doi.org/10.1088/2053-1583/aad0c8

Olagnier, D., Brandtoft, A. M., Gunderstofte, C., Villadsen, N. L., Krapp, C., Thielke, A. L., Laustsen, A., Peri, S., Hansen, A. L., Bonefeld, L., Thyrsted, J., Bruun, V., Iversen, M. B., Lin, L., Artegoitia, V. M., Su, C., Yang, L., Lin, R., Balachandran, S. ... Holm, C. K. (2018). Nrf2 negatively regulates STING indicating a link between antiviral sensing and metabolic reprogramming. Nature Communications, 9(1), Article 3506. https://doi.org/10.1038/s41467-018-05861-7

Kitahara, R., Sakuraba, S., Kameda, T., Okuda, S., Xue, M. & Mulder, F. A. A. (2018). Nuclear magnetic resonance-based determination of dioxygen binding sites in protein cavities. Protein Science, 27(3), 769-779. https://doi.org/10.1002/pro.3371

Shepperson, B., Chatterley, A. S., Christiansen, L., Søndergaard, A. A. & Stapelfeldt, H. (2018). Observation of rotational revivals for iodine molecules in helium droplets using a near-adiabatic laser pulse. Physical Review A, 97(1), Article 013427. https://doi.org/10.1103/PhysRevA.97.013427

Yee, L. D., Isaacman-VanWertz, G., Wernis, R. A., Meng, M., Rivera, V., Kreisberg, N. M., Hering, S. V., Bering, M. S., Glasius, M., Upshur, M. A., Gray Bé, A., Thomson, R. J., Geiger, F. M., Offenberg, J. H., Lewandowski, M., Kourtchev, I., Kalberer, M., De Sá, S., Martin, S. T. ... Goldstein, A. H. (2018). Observations of sesquiterpenes and their oxidation products in central Amazonia during the wet and dry seasons. Atmospheric Chemistry and Physics, 18(14), 10433-10457. https://doi.org/10.5194/acp-18-10433-2018

Le Breton, M., Wang, Y., Hallquist, A. M., Pathak, R. K., Zheng, J., Yang, Y., Shang, D., Glasius, M., Bannan, T. J., Liu, Q., Chan, C. K., Percival, C. J., Zhu, W., Lou, S., Topping, D., Wang, Y., Yu, J., Lu, K., Guo, S. ... Hallquist, M. (2018). Online gas- and particle-phase measurements of organosulfates, organosulfonates and nitrooxy organosulfates in Beijing utilizing a FIGAERO ToF-CIMS. Atmospheric Chemistry and Physics, 18(14), 10355-10371. https://doi.org/10.5194/acp-18-10355-2018

Ansari, S. M., Sørensen, J., Schiøtt, B. & Palmer, D. S. (2018). On the effect of mutations in bovine or camel chymosin on the thermodynamics of binding κ-caseins. Proteins: Structure, Function and Bioinformatics, 86(1), 75-87. https://doi.org/10.1002/prot.25410

Poulsen, L. T., Heuckendorff, M. & Jensen, H. H. (2018). On the generality of the superarmament of glycosyl donors. Organic and Biomolecular Chemistry, 16(13), 2269-2276. https://doi.org/10.1039/c7ob02966g

Lo Presti, L. (2018). On the significance of weak hydrogen bonds in crystal packing: A large databank comparison of polymorphic structures. CrystEngComm, 20(39), 5976-5989. https://doi.org/10.1039/c8ce00674a

Kjeldgaard, S., Birgisson, S., Kielland, A. G. & Iversen, B. B. (2018). Operando powder X-ray diffraction study of P2-NaxNi0.3Mn0.7O2 cathode material during electrochemical cycling. Journal of Applied Crystallography, 51(5), 1304-1310. https://doi.org/10.1107/S1600576718010531

Yu, P., He, C. Q., Simon, A., Li, W., Mose, R., Thøgersen, M. K., Jørgensen, K. A. & Houk, K. N. (2018). Organocatalytic [6+4] Cycloadditions via Zwitterionic Intermediates: Chemo-, Regio-, and Stereoselectivities. Journal of the American Chemical Society, 140(42), 13726-13735. https://doi.org/10.1021/jacs.8b07575

Donslund, B. S., Monleón, A., Palazzo, T. A., Christensen, M. L., Dahlgaard, A., Erickson, J. D. & Jørgensen, K. A. (2018). Organocatalytic Enantioselective Higher-Order Cycloadditions of In Situ Generated Amino Isobenzofulvenes. Angewandte Chemie - International Edition, 57(5), 1246-1250. https://doi.org/10.1002/anie.201710694

Poulsen, P. H., Li, Y., Lauridsen, V. H., Jørgensen, D. K. B., Palazzo, T. A., Meazza, M. & Jørgensen, K. A. (2018). Organocatalytic Formation of Chiral Trisubstituted Allenes and Chiral Furan Derivatives. Angewandte Chemie - International Edition, 57(33), 10661-10665. https://doi.org/10.1002/anie.201806238

Enevoldsen, M. V., Overgaard, J., Pedersen, M. S. & Lindhardt, A. T. (2018). Organocatalyzed Decarboxylative Trichloromethylation of Morita-Baylis-Hillman Adducts in Batch and Continuous Flow. Chemistry - A European Journal, 24(5), 1204-1208. https://doi.org/10.1002/chem.201704972

Glasius, M., Bering, M. S., Yee, L. D., De Sá, S., Isaacman-VanWertz, G., Wernis, R. A., Jorge Barbosa, H. D. M., Alexander, M. L., Palm, B. B., Hu, W., Campuzano-Jost, P., Day, D. A., Jimenez, J. L., Shrivastava, M., Martin, S. T. & Goldstein, A. H. (2018). Organosulfates in aerosols downwind of an urban region in central Amazon. Environmental Science: Processes and Impacts, 20(11), 1546-1558. https://doi.org/10.1039/c8em00413g

Huang, R. J., Cao, J., Chen, Y., Yang, L., Shen, J., You, Q., Wang, K., Lin, C., Xu, W., Gao, B., Li, Y., Chen, Q., Hoffmann, T., O'Dowd, C. D., Bilde, M. & Glasius, M. (2018). Organosulfates in atmospheric aerosol: Synthesis and quantitative analysis of PM2.5 from Xi'an, northwestern China. Atmospheric Measurement Techniques, 11(6), 3447-3456. https://doi.org/10.5194/amt-11-3447-2018

Yin, H., Kumke, J. J., Domino, K. & Skrydstrup, T. (2018). Palladium Catalyzed Carbonylative Coupling of Alkyl Boron Reagents with Bromodifluoroacetamides. ACS Catalysis, 8(5), 3853-3858. https://doi.org/10.1021/acscatal.8b00420

Lobo Just Pinheiro, D., Nielsen, D. U., Amarante, G. & Skrydstrup, T. (2018). Pd-catalyzed carbonylative alpha-arylation of azlactones: A formal four-component coupling route to alpha,alpha-disubstituted amino acids. Journal of Catalysis, 364, 366–370. https://doi.org/10.1016/j.jcat.2018.04.027

Tamiola, K., Scheek, R. M., Van Der Meulen, P. & Mulder, F. A. A. (2018). PepKalc: Scalable and comprehensive calculation of electrostatic interactions in random coil polypeptides. Bioinformatics, 34(12), 2053-2060. https://doi.org/10.1093/bioinformatics/bty033

Amini, K., Savelyev, E., Brauße, F., Berrah, N., Bomme, C., Brouard, M., Burt, M., Christensen, L., Düsterer, S., Erk, B., Höppner, H., Kierspel, T., Krecinic, F., Lauer, A., Lee, J. W. L., Müller, M., Müller, E., Mullins, T., Redlin, H. ... Boll, R. (2018). Photodissociation of aligned CH₃I and C₆H₃F₂I molecules probed with time-resolved Coulomb explosion imaging by site-selective extreme ultraviolet ionization. Structural Dynamics, 5(1), 014301, 1-14. Article 4998648. https://doi.org/10.1063/1.4998648

Kékedy-Nagy, L., Sørensen, K. D. & Ferapontova, E. E. (2018). Picomolar sensitive and SNP-selective "Off-On" hairpin genosensor based on structure-tunable redox indicator signals. Biosensors and Bioelectronics, 117, 444-449. https://doi.org/10.1016/j.bios.2018.06.040

Andersen, H. L., Bøjesen, E. D., Birgisson, S., Christensen, M. & Iversen, B. B. (2018). Pitfalls and reproducibility of in situ synchrotron powder X-ray diffraction studies of solvothermal nanoparticle formation. Journal of Applied Crystallography, 51(2), 526-540. https://doi.org/10.1107/S1600576718003552

Shen, B., Linko, V., Tapio, K., Pikker, S., Lemma, T., Gopinath, A., Gothelf, K. V., Kostiainen, M. A. & Toppari, J. J. (2018). Plasmonic nanostructures through DNA-assisted lithography. Science Advances, 4(2), Article eaap8978. https://doi.org/10.1126/sciadv.aap8978

Nielsen, J. T. & Mulder, F. A. A. (2018). POTENCI: prediction of temperature, neighbor and pH-corrected chemical shifts for intrinsically disordered proteins. Journal of Biomolecular NMR, 70(3), 141-165. https://doi.org/10.1007/s10858-018-0166-5

Kurnik, M., Sahin, C., Andersen, C. B., Lorenzen, N., Giehm, L., Mohammad-Beigi, H., Jessen, C. M., Pedersen, J. S., Christiansen, G., Petersen, S. V., Staal, R., Krishnamurthy, G., Pitts, K., Reinhart, P. H., Mulder, F. A. A., Mente, S., Hirst, W. D. & Otzen, D. E. (2018). Potent α-Synuclein Aggregation Inhibitors, Identified by High-Throughput Screening, Mainly Target the Monomeric State. Cell Chemical Biology, 25(11), 1389-1402.e9. https://doi.org/10.1016/j.chembiol.2018.08.005

Huynh, T. P., Pedersen, C., Wittig, N. K. & Birkedal, H. (2018). Precipitation of Inorganic Phases through a Photoinduced pH Jump: From Vaterite Spheroids and Shells to ZnO Flakes and Hexagonal Plates. Crystal Growth and Design, 18(4), 1951-1955. https://doi.org/10.1021/acs.cgd.8b00093

Hellenkamp, B., Schmid, S., Doroshenko, O., Opanasyuk, O., Kuehnemuth, R., Adariani, S. R., Ambrose, B., Aznauryan, M., Barth, A., Birkedal, V., Bowen, M. E., Chen, H., Cordes, T., Eilert, T., Fijen, C., Gebhardt, C., Goetz, M., Gouridis, G., Gratton, E. ... Hugel, T. (2018). Precision and accuracy of single-molecule FRET measurements-a multi-laboratory benchmark study. Nature Methods, 15(9), 669-676. https://doi.org/10.1038/s41592-018-0085-0

Thomsen, M. K., Gatti, C. & Overgaard, J. (2018). Probing Cyclic π-Electron Delocalization in an Imidazol-2-ylidene and a Corresponding Imidazolium Salt. Chemistry - A European Journal, 24(19), 4973-4981. https://doi.org/10.1002/chem.201800014

Fugel, M., Jayatilaka, D., Hupf, E., Overgaard, J., Hathwar, V. R., Macchi, P., Turner, M. J., Howard, J. A. K., Dolomanov, O. V., Puschmann, H., Iversen, B. B., Bürgi, H. B. & Grabowsky, S. (2018). Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2. IUCrJ, 5(1), 32-44. https://doi.org/10.1107/S2052252517015548

Sibbersen, C., Schou Oxvig, A. M., Bisgaard Olesen, S., Nielsen, C. B., Galligan, J. J., Jørgensen, K. A., Palmfeldt, J. & Johannsen, M. (2018). Profiling of Methylglyoxal Blood Metabolism and Advanced Glycation End-Product Proteome Using a Chemical Probe. ACS chemical biology, 13(12), 3294-3305. https://doi.org/10.1021/acschembio.8b00732

Yang, T., Zelikin, A. N. & Chandrawati, R. (2018). Progress and Promise of Nitric Oxide-Releasing Platforms. Advanced Science, 5(6), Article 1701043. https://doi.org/10.1002/advs.201701043

Shao, H., He, L., Lin, H. & Li, H. (2018). Progress and Trends in Magnesium-Based Materials for Energy-Storage Research: A Review. Energy Technology, 6(3), 445 - 458. https://doi.org/10.1002/ente.201700401

Ibsen, C. J. S. & Birkedal, H. (2018). Pyrophosphate-inhibition of apatite formation studied by in situ X-ray diffraction. Minerals, 8(2), 65-73. Article 65. https://doi.org/10.3390/min8020065

Displaying results 1901 to 1950 out of 5900

Revised 08.05.2026

Department of Chemistry