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Reaction of Electrons with DNA: Radiation Damage to Radiosensitization
Open AccessArticle

Ring Formation and Hydration Effects in Electron Attachment to Misonidazole

1
Institut für Ionenphysik und Angewandte Physik, Leopold-Franzens Universität Innsbruck, Technikerstrasse 25, Innsbruck A-6020, Austria
2
Atomic and Molecular Collisions Laboratory, CEFITEC, Department of Physics, Universidade Nova de Lisboa, 2829-516 Caparica, Portugal
3
Center for Biomolecular Sciences Innsbruck, Leopold-Franzens Universität Innsbruck, Technikerstrasse 25, Innsbruck A-6020, Austria
4
J. Heyrovský Institute of Physical Chemistry v.v.i., The Czech Academy of Sciences, Dolejškova 3, 18223 Prague, Czech Republic
*
Authors to whom correspondence should be addressed.
Int. J. Mol. Sci. 2019, 20(18), 4383; https://doi.org/10.3390/ijms20184383
Received: 22 August 2019 / Revised: 2 September 2019 / Accepted: 3 September 2019 / Published: 6 September 2019
(This article belongs to the Special Issue Radiation-Induced Damage to DNA)
We study the reactivity of misonidazole with low-energy electrons in a water environment combining experiment and theoretical modelling. The environment is modelled by sequential hydration of misonidazole clusters in vacuum. The well-defined experimental conditions enable computational modeling of the observed reactions. While the NO 2 dissociative electron attachment channel is suppressed, as also observed previously for other molecules, the OH channel remains open. Such behavior is enabled by the high hydration energy of OH and ring formation in the neutral radical co-fragment. These observations help to understand the mechanism of bio-reductive drug action. Electron-induced formation of covalent bonds is then important not only for biological processes but may find applications also in technology. View Full-Text
Keywords: misonidazole; clusters; low-energy electron; bond formation; electron attachment misonidazole; clusters; low-energy electron; bond formation; electron attachment
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MDPI and ACS Style

Ončák, M.; Meißner, R.; Arthur-Baidoo, E.; Denifl, S.; Luxford, T.F.M.; Pysanenko, A.; Fárník, M.; Pinkas, J.; Kočišek, J. Ring Formation and Hydration Effects in Electron Attachment to Misonidazole. Int. J. Mol. Sci. 2019, 20, 4383.

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