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Electron attachment to isolated and microhydrated favipiravir
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SYSNO ASEP 0547349 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Electron attachment to isolated and microhydrated favipiravir Author(s) Sedmidubská, Barbora (UFCH-W)
Luxford, Thomas Frederick Murray (UFCH-W)
Kočišek, Jaroslav (UFCH-W) RID, ORCIDSource Title Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 23, č. 38 (2021), s. 21501-21511Number of pages 11 s. Language eng - English Country GB - United Kingdom Keywords low-energy electrons ; cross-sections ; rydberg states ; dna ; uracil ; radiosensitizer ; fragmentation ; spectroscopy ; thermochemistry ; mechanisms Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects GA19-01159S GA ČR - Czech Science Foundation (CSF) Method of publishing Limited access Institutional support UFCH-W - RVO:61388955 UT WOS 000684329500001 EID SCOPUS 85117122680 DOI 10.1039/d1cp02686k Annotation 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. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2022 Electronic address http://hdl.handle.net/11104/0323592
Number of the records: 1