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 Department of Chemistry

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Wang, J., Norgaard, T., Kisielius, V., Nielsen, A. B., Carvalho, P. N., Nielsen, N. C. & Wu, S. (2026). Biochar–calcium peroxide composite for sustained tebuconazole removal via adsorption and surface-mediated oxidative degradation. Journal of Hazardous Materials, 501, Article 140943. https://doi.org/10.1016/j.jhazmat.2025.140943

Walther, R., Rautio, J. & Zelikin, A. N. (2017). Prodrugs in medicinal chemistry and enzyme prodrug therapies. Advanced Drug Delivery Reviews, 118(september), 65-77. https://doi.org/10.1016/j.addr.2017.06.013

Walther, R., Nielsen, S. M., Christiansen, R., Meyer, R. L. & Zelikin, A. N. (2018). Combatting implant-associated biofilms through localized drug synthesis. Journal of Controlled Release, 287, 94-102. https://doi.org/10.1016/j.jconrel.2018.08.025

Walther, R., Winther, A., Fruergaard, A. S., Akker, W. V. D., Sørensen, L., Nielsen, S. M., Olesen, M. T. J., Dai, Y., Jeppesen, H. S., Lamagni, P., Savateev, A., Pedersen, S. L., Frich, C. K., Vigier, C. A., Lock, N., Singh, M., Bansal, V., Meyer, R. L. & Zelikin, A. N. (2019). Identification and Directed Development of Non‐Organic Catalysts with Apparent Pan‐Enzymatic Mimicry into Nanozymes for Efficient Prodrug Conversion. Angewandte Chemie International Edition, 58(1), 278-282. https://doi.org/10.1002/anie.201812668

Walther, R., Olesen, M. T. J. & Zelikin, A. N. (2019). Extended scaffold glucuronides: en route to the universal synthesis of O-aryl glucuronide prodrugs. Organic & Biomolecular Chemistry, 17(29), 6970-6974. https://doi.org/10.1039/c9ob01384a

Walther, R., van den Akker, W., Fruergaard, A. S. & Zelikin, A. N. (2020). Nanozymes and Glucuronides: Glucuronidase, Esterase, and/or Transferase Activity. Small, 16(44), Article 2004280. https://doi.org/10.1002/smll.202004280

Walther, R., Monge, P., Pedersen, A., Benderoth, A., Pedersen, J., Farzadfard, A., Mandrup, O., Howard, K., Otzen, D. & Zelikin, A. N. (2021). Per-glycosylation of the Surface-Accessible Lysines: One-Pot Aqueous Route to Stabilized Proteins with Native Activity. ChemBioChem, 22(14), 2478-2485. https://doi.org/10.1002/cbic.202100228

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

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

Walt, S. G., Bhargava Ram, N., Von Conta, A., Tolstikhin, O. I., Madsen, L. B., Jensen, F. & Wörner, H. J. (2015). Role of Multi-Electron Effects in the Asymmetry of Strong-Field Ionization and Fragmentation of Polar Molecules: The Methyl Halide Series. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 119(49), 11772-11782. https://doi.org/10.1021/acs.jpca.5b07331

Wallington, T. J., Hurley, M. D., Mauer, T., Barnes, I., Becker, K. H., Tyndall, J. J., Orlando, J. J., Pimentel, A. S. & Bilde, M. (2001). Atmospheric Oxidation Mechanism of Methyl Formate. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, (Vol. 105), 5146-5154.

Wallace, P. K., Jellison, E. R., Thornton, S., Kluepfel, K., Back, J., Beadnell, T. C., Bebes, A., Behrends, J., Belkina, A. C., Black, M., Bogdanoski, G., Bollati-Fogolín, M., Bonte, S., Van der Borght, K., Brinkman, R. R., Brundage, K., Bushnell, T., Chiu, D. T., Chow, N. ... Rajwa, B. (2025). Cyt-Geist: Current and Future Challenges in Cytometry: Reports of the CYTO 2025 Conference Workshops. Cytometry. Part A. Advance online publication. https://doi.org/10.1002/cytoa.70002

Wahlberg, N., Bindzus, N., Bjerg, L., Becker, J., Christensen, S., Dippel, A. C., Jørgensen, M. R. V. & Iversen, B. B. (2015). Powder X‑ray Diffraction Electron Density of Cubic Boron Nitride. The Journal of Physical Chemistry Part C, 119(11), 6164-6173. https://doi.org/10.1021/jp511985d

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

Wahlberg, N., Bindzus, N., Christensen, S., Becker, J., Dippel, A.-C., Jørgensen, M. R. V. & Iversen, B. B. (2016). Low-temperature powder X-ray diffraction measurements in vacuum: analysis of the thermal displacement of copper. Journal of Applied Crystallography, 49(1), 110. Article 10. https://doi.org/10.1107/S1600576715022621

Wahlberg, N., Bindzus, N., Bjerg, L., Becker, J., Dippel, A. C. & Iversen, B. B. (2016). Synchrotron powder diffraction of silicon: high-quality structure factors and electron density. Acta Crystallographica Section A: Foundations and Advances, 72, 28-35. https://doi.org/10.1107/S2053273315018318

Wabnitz, T. C., Saaby, S. & Jørgensen, K. A. (2004). The first catalytic inverse-electron demand hetero-Diels-Alder reaction of nitroso alkenes using pyrrolidine as an organocatalyst. Organic & Biomolecular Chemistry, 2, 828-834.

Waagner, D., Heckmann, L.-H., Malmendal, A., Nielsen, N. C., Holmstrup, M. & Bayley, M. (2010). Hsp70 expression and metabolite composition in response to short-term thermal changes in Folsomia candida (Collembola). Comparative Biochemistry and Physiology - Part A: Molecular & Integrative Physiology, 157, 177-183. https://doi.org/10.1016/j.cbpa.2010.06.171

Vu-Quang, H., Vinding, M. S., Nielsen, T., Ullisch, M. G., Nielsen, N. C. & Kjems, J. (2016). Theranostic Tumor Targeted Nanoparticles Combining Drug Delivery with Dual Near Infrared and (19)F Magnetic Resonance Imaging Modalities. Nanomedicine: Nanotechnology, Biology and Medicine, 12(7), 1873-1884. https://doi.org/10.1016/j.nano.2016.04.010

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), Article 743. https://doi.org/10.3390/polym11040743

Vu-Quang, H., Vinding, M. S., Jakobsen, M., Song, P., Dagnaes-Hansen, F., Nielsen, N. C. & Kjems, J. (2019). Imaging rheumatoid arthritis in mice using combined near infrared and ¹⁹F magnetic resonance modalities. Scientific Reports, 9, Article 14314. https://doi.org/10.1038/s41598-019-50043-0

Vu Quang, H., Vinding, M. S., Xia, D., Nielsen, T., Ullisch, M. G., Dong, M., Nielsen, N. C. & Kjems, J. (2016). Chitosan-coated Poly(lactic-co-glycolic acid) Perfluorooctyl Bromide Nanoparticles for Cell Labeling in 19F Magnetic Resonance Imaging. Carbohydrate Polymers, 136, 936-944. https://doi.org/10.1016/j.carbpol.2015.09.076

Vostiar, I., Ferapontova, E. E. & Gorton, L. (2004). Electrical "wiring" of viable Gluconobacter oxydans cells with a flexible osmium-redox polyelectrolyte. Electrochemistry Communications, 6(7), 621-626. https://doi.org/10.1016/j.elecom.2004.04.017

Vosegaard, T. & Nielsen, N. C. (2004). Improved pulse sequences for pure exchange solid-state NMR spectroscopy. Magn. Reson. Chem., 42(2), 285-290.

Vosegaard, T., Christensen, P. D., Hald, E. & Jakobsen, H. J. (2000). Small crystals and small coils in variable temperature single-crystal NMR. Journal of Magnetic Resonance, 142, 379-381.

Vosegaard, T., Florian, P., Grandinetti, P. J. & Massiot, D. (2000). Pure absorption-mode spectra using a modulated RF mixing period in MQMAS experiments. Journal of Magnetic Resonance, 143, 217-222.

Vosegaard, T., Florian, P., Massiot, M. & Grandinetti, P. H. (2001). Multiple-quantum magic-angle spinning using rotary resonance excitation. Journal of Chemical Physics, 114, 4618-4624.

Vosegaard, T., Malmendal, A. & Nielsen, N. C. (2002). The flexibility of SIMPSON and SIMMOL for numerical simulations in solid- and liquid-state NMR spectroscopy. Chem. Monthly, 133, 1555-1574.

Vosegaard, T., Massiot, D. & Grandinetti, P. J. (2000). Sensitivity enhancements in MQ-MAS NMR of spin-5/2 nuclei using modulated RF mixing pulses. Chemical Physics Letters, 326, 454-460.

Vosegaard, T. & Nielsen, N. C. (2002). Towards high-resolution solid-state NMR on large uniformly ¹⁵N- and [¹³C, ¹⁵N]-labeled membrane proteins in oriented lipid bilayers. J. Biomol. NMR, 22, 225-247.

Vosegaard, T., Kehlet, C. T., Khaneja, N., Glaser, S. J. & Nielsen, N. C. (2005). Improved excitation schemes for multiple-quantum magic-angle spinning for quadrupolar nuclei designed using optimal control theory. Journal of the American Chemical Society, 127, 13768-13769.

Vosegaard, T. & Massiot, D. (2007). High-resolution two-dimensional NMR spectra of half-integer-spin quadrupolar nuclei from one-dimensional projections. Chemical Physics Letters, 437, 120-125. https://doi.org/10.1016/j.cplett.2007.01.077

Vosegaard, T., Kamihira-Ishijima, M., Watts, A. & Nielsen, N. C. (2008). Helix conformations in 7TM membrane proteins determined using oriented-sample solid-state NMR with multiple residue-specific ¹⁵N labeling. Biophysical Journal, 94, 241-250. https://doi.org/10.1529/biophysj.107.116004

Vosegaard, T., Bertelsen, K., Pedersen, J. M., Thøgersen, L., Schiøtt, B., Tajkhorshid, E., Skrydstrup, T. & Nielsen, N. C. (2008). Resolution Enhancement in Solid-State NMR of Oriented Membrane Proteins by Anisotropic Differential Linebroadening. Journal of the American Chemical Society, 130, 5028-5029.

Vosegaard, T., Andersen, U. & Jakobsen, H. J. (1999). Improved ⁶⁷Zn Solid-State NMR from Single-Crystals. Zn(CH₃COO)₂^.2H₂O. Journal of the American Chemical Society, 121, 1970-1971.

Vosegaard, T. & Nielsen, N. C. (2009). Defining the sampling space in multidimensional NMR experiments: What should the maximum sampling time be? Journal of Magnetic Resonance, 199(2), 146-158. https://doi.org/10.1016/j.jmr.2009.04.007

Vosegaard, T., Larsen, F. H., Jakobsen, H. J., Ellis, P. D. & Nielsen, N. C. (1997). Sensitivity-Enhanced Multiple-Quantum MAS NMR of Half-Integer Quadrupolar Nuclei. Journal of the American Chemical Society, 119, 9055-9056.

Vosegaard, T., Tosner, Z. & Nielsen, N. C. (2010). Numerical Simulations in Solid-State NMR with SIMPSON. In M. A.E. & T. Polenova (Eds.), Solid-State NMR of Biopolymers (pp. 377-394). John Wiley & Sons Ltd.

Vosegaard, T. (2010). Challenges in Numerical Simulations of Solid-State NMR Experiments: Spin Exchange Pulse Sequences. Solid State Nuclear Magnetic Resonance, 38. https://doi.org/10.1016/j.ssnmr.2011.01.002

Vosegaard, T., Tosner, Z. & Nielsen, N. C. (2010). Numerical Simulations in Solid-State NMR with SIMPSON. In Encyclopedia of Magnetic Resonance Wiley. https://doi.org/10.1002/9780470034590.emrstm1097

Vosegaard, T. & Nielsen, N. C. (2014). NMR Investigations of the Structure and Dynamics of Antimicrobial Peptides: The Peptaibol Alamethicin. In F. Separovic & A. Naito (Eds.), Advances in Biological Solid-State NMR: Proteins and Membrane-Active Peptides (pp. 267-286). Royal Society of Chemistry. https://doi.org/10.1039/9781782627449-00267

Vosegaard, T. (2015). jsNMR: An Embedded Platform-Independent NMR Spectrum Viewer. Magnetic Resonance in Chemistry, 53(4), 285-290. https://doi.org/10.1002/mrc.4195

Vosegaard, T., Massiot, D., Gautier, N. & Jakobsen, H. J. (1997). 71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR. Inorganic Chemistry, 36(11), 2446-2450. https://doi.org/10.1021/ic970012u

Vosegaard, T. (2018). Fast simulations of multidimensional NMR spectra of proteins and peptides. Magnetic Resonance in Chemistry, 56(6), 438-448. https://doi.org/10.1002/mrc.4663

Vosegaard, T. (2018). iSpec: A Web-Based Activity for Spectroscopy Teaching. Journal of Chemical Education, 95(1), 90-103. https://doi.org/10.1021/acs.jchemed.7b00482

Vosegaard, T. (2021). Single-crystal NMR spectroscopy. Progress in Nuclear Magnetic Resonance Spectroscopy, 123, 51-72. https://doi.org/10.1016/j.pnmrs.2021.01.001

Vosegaard, E. S., Thomsen, M. K., Krause, L., Gronbech, T. B. E., Mamakhel, A., Takahashi, S., Nishibori, E. & Iversen, B. B. (2022). Synchrotron X-ray Electron Density Analysis of Chemical Bonding in the Graphitic Carbon Nitride Precursor Melamine. Chemistry - A European Journal, 28(54), Article e202201295. https://doi.org/10.1002/chem.202201295

Vosegaard, E. S., Ahlburg, J. V., Krause, L. & Iversen, B. B. (2023). Comparative study of conventional and synchrotron X-ray electron densities on molecular crystals. Acta crystallographica Section B, Structural science, crystal engineering and materials, 79(Part 5), 380-391. https://doi.org/10.1107/S2052520623006625

Vosegaard, E. S., Mamakhel, M. A. H., Parmar, V. S., Bertelsen, A. D. & Iversen, B. B. (2024). Synthesis and characterization of an organic-inorganic hybrid crystal: 2[Co(en)₃](V₄O₁₃)·4H₂O. Acta crystallographica Section B, Structural science, crystal engineering and materials, 80(Part 5), 488-494. https://doi.org/10.1107/S2052520624007509

Vosegaard, E. S., Svane, J. & Brummerstedt Iversen, B. (2025). X-ray electron density analysis of chemical bonding in permanent magnet Nd₂Fe₁₄B. IUCrJ, 12(6), 658-669. https://doi.org/10.1107/S2052252525007602

Displaying results 301 to 350 out of 5199

Revised 24.09.2025

Department of Chemistry