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Electron attachment to isolated and microhydrated favipiravir
Barbora Sedmidubská1,2, Thomas F M Luxford1, Jaroslav Kočišek1
1J. Heyrovský Institute of Physical Chemistry of the Czech Academy of Sciences, Dolejškova 3, 18223 Prague, Czech Republic. jaroslav.kocisek@jh-inst.cas.cz.
Physical Chemistry Chemical Physics : PCCP
|August 12, 2021
Summary
Electron attachment to favipiravir primarily forms a stable parent anion, with fragments being minor. This suggests favipiravir
Area of Science:
- Physical Chemistry
- Chemical Physics
- Biophysical Chemistry
Background:
- Electron attachment and single-electron reduction are vital in biological systems.
- Favipiravir is a known antiviral medication.
Purpose of the Study:
- To investigate electron attachment to favipiravir.
- To explore the energetics of associative (AEA) and dissociative (DEA) electron attachment.
- To assess favipiravir's potential as a radiosensitizer.
Main Methods:
- Electron attachment spectroscopy was used for isolated favipiravir.
- Ab initio calculations determined reaction thresholds.
- Mass spectrometry analyzed favipiravir-water clusters.
Main Results:
- Associative electron attachment (AEA) was the dominant process.
- Fragment anion yields from dissociative electron attachment (DEA) were significantly lower than the parent anion.
- DEA primarily involved the decomposition of the CONH2 group.
- Energy transfer to water molecules was observed in favipiravir-water clusters.
Conclusions:
- Favipiravir exhibits a high propensity for forming a stable parent anion upon electron attachment.
- The observed electron attachment properties align with those of electron-affinic radiosensitizers.
- Favipiravir shows potential for repurposing in chemo-radiation therapy due to possible synergistic effects.
