Ring Formation and Hydration Effects in Electron Attachment to Misonidazole

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F19%3A00511957" target="_blank" >RIV/61388955:_____/19:00511957 - isvavai.cz</a>
Result on the web
<a href="http://hdl.handle.net/11104/0302188" target="_blank" >http://hdl.handle.net/11104/0302188</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.3390/ijms20184383" target="_blank" >10.3390/ijms20184383</a>

Result language
angličtina
Original language name
Ring Formation and Hydration Effects in Electron Attachment to Misonidazole
Original language description
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 NO2- 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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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