Ončák, MilanMeißner, RebeccaArthur-Baidoo, EugeneDenifl, StephanLuxford, Thomas F. M.Pysanenko, AndriyFárník, MichalPinkas, JiříKočišek, Jaroslav2020-09-302020-09-302019-091661-6596PURE: 18929052PURE UUID: 4f46e9fc-4392-4419-80ec-5bab93cdd617Scopus: 85071776260PubMed: 31489947PubMedCentral: PMC6770096WOS: 000489100500062http://hdl.handle.net/10362/104984This research was funded by CZECH SCIENCE FOUNDATION grant number 19-01159S; Czech Ministry of Education Youth and Sports via OP RDE Grant no. CZ.02.2.69/0.0/16_027/0008355; S.D. acknowledges funding from the FWF, Vienna (P30332).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.1684515engBond formationClustersElectron attachmentLow-energy electronMisonidazoleCatalysisMolecular BiologySpectroscopyComputer Science ApplicationsPhysical and Theoretical ChemistryOrganic ChemistryInorganic Chemistryjournal article10.3390/ijms20184383https://www.scopus.com/pages/publications/85071776260