Electron attachment to isolated and microhydrated favipiravir

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00547349" target="_blank" >RIV/61388955:_____/21:00547349 - isvavai.cz</a>
Alternative codes found
RIV/68407700:21340/21:00365783
Result on the web
<a href="http://hdl.handle.net/11104/0323592" target="_blank" >http://hdl.handle.net/11104/0323592</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/d1cp02686k" target="_blank" >10.1039/d1cp02686k</a>

Result language
angličtina
Original language name
Electron attachment to isolated and microhydrated favipiravir
Original language description
Electron attachment and its equivalent in complex environments, single-electron reduction, are important in many biological processes. Here, we experimentally study the electron attachment to favipiravir, a well-known antiviral agent. Electron attachment spectroscopy is used to explore the energetics of associative (AEA) and dissociative (DEA) electron attachment to isolated favipiravir. AEA dominates the interaction and the yields of the fragment anions after DEA are an order of magnitude lower than that of the parent anion. DEA primary proceeds via decomposition of the CONH2 functional group, which is supported by reaction threshold calculations using ab initio methods. Mass spectrometry of small favipiravir-water clusters demonstrates that a lot of energy is transferred to the solvent upon electron attachment. The energy gained upon electron attachment, and the high stability of the parent anion were previously suggested as important properties for the action of several electron-affinic radiosensitizers. If any of these mechanisms cause synergism in chemo-radiation therapy, favipiravir could be repurposed as a radiosensitizer.
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
—
OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/GA19-01159S" target="_blank" >GA19-01159S: Electron Attachment in Radiation Chemistry</a><br>
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2021
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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