Your browser doesn't support javascript.
loading
Electron attachment to isolated and microhydrated favipiravir.
Sedmidubská, Barbora; Luxford, Thomas F M; Kocisek, Jaroslav.
Afiliação
  • Sedmidubská B; J. Heyrovský Institute of Physical Chemistry of the Czech Academy of Sciences, Dolejskova 3, 18223 Prague, Czech Republic. jaroslav.kocisek@jh-inst.cas.cz.
  • Luxford TFM; Department of Nuclear Chemistry, Faculty of Nuclear Sciences and Physical Engineering, Brehová 7, 11519 Prague, Czech Republic.
  • Kocisek J; J. Heyrovský Institute of Physical Chemistry of the Czech Academy of Sciences, Dolejskova 3, 18223 Prague, Czech Republic. jaroslav.kocisek@jh-inst.cas.cz.
Phys Chem Chem Phys ; 23(38): 21501-21511, 2021 Oct 06.
Article em En | MEDLINE | ID: mdl-34382983
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.
Assuntos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Pirazinas / Amidas Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: República Tcheca

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Pirazinas / Amidas Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: República Tcheca