Electron-Induced Reactions in 3-Bromopyruvic Acid

  • 3-Bromopyruvic acid (3BP) is a potential anticancer drug, the action of which on cellular metabolism is not yet entirely clear. The presence of a bromine atom suggests that it is also reactive towards low-energy electrons, which are produced in large quantities during tumour Radiation therapy. Detailed knowledge of the interaction of 3BP with secondary electrons is a prerequisite to gain a complete picture of the effects of 3BP in different forms of Cancer therapy. Herein, dissociative electron attachment (DEA) to 3BP in the gas phase has been studied both experimentally by using a crossed-beam setup and theoretically through scattering and quantum chemical calculations. These results are complemented by a vacuum ultraviolet absorption spectrum. The main fragmentation channel is the formation of Br@ close to 0 eV and within several resonant features at 1.9 and 3–8 eV. At low electron energies, Br@ formation proceeds through s* and p* shape resonances, and at higher energies through3-Bromopyruvic acid (3BP) is a potential anticancer drug, the action of which on cellular metabolism is not yet entirely clear. The presence of a bromine atom suggests that it is also reactive towards low-energy electrons, which are produced in large quantities during tumour Radiation therapy. Detailed knowledge of the interaction of 3BP with secondary electrons is a prerequisite to gain a complete picture of the effects of 3BP in different forms of Cancer therapy. Herein, dissociative electron attachment (DEA) to 3BP in the gas phase has been studied both experimentally by using a crossed-beam setup and theoretically through scattering and quantum chemical calculations. These results are complemented by a vacuum ultraviolet absorption spectrum. The main fragmentation channel is the formation of Br@ close to 0 eV and within several resonant features at 1.9 and 3–8 eV. At low electron energies, Br@ formation proceeds through s* and p* shape resonances, and at higher energies through core-excited resonances. It is found that the electron-capture cross-section is clearly increased compared with that of non-brominated pyruvic acid, but, at the same time, fragmentation reactions through DEA are significantly altered as well. The 3BP transient negative ion is subject to a lower number of fragmentation reactions than those of pyruvic acid, which indicates that 3BP could indeed act by modifying the electron-transport chains within oxidative phosphorylation. It could also act as a radio-sensitiser.zeige mehrzeige weniger

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Metadaten
Autor*innen:F. Ferreira da Silva, M. T. do N. Varella, N. C. Jones, S. Vrönning Hoffmann, S. Denifl, Ilko Bald, J. Kopyra
Dokumenttyp:Zeitschriftenartikel
Veröffentlichungsform:Verlagsliteratur
Sprache:Englisch
Titel des übergeordneten Werkes (Englisch):Chemistry-A European Journal
Jahr der Erstveröffentlichung:2019
Organisationseinheit der BAM:1 Analytische Chemie; Referenzmaterialien
1 Analytische Chemie; Referenzmaterialien / 1.0 Abteilungsleitung und andere
Verlag:WILEY-VCH Verlag GmbH & Co. KGaA
Verlagsort:Weinheim
Jahrgang/Band:25
Ausgabe/Heft:21
Erste Seite:5498
Letzte Seite:5506
DDC-Klassifikation:Naturwissenschaften und Mathematik / Chemie / Analytische Chemie
Freie Schlagwörter:Density functional calculations; Dissociative electron attachment; Drug discovery; Gas-phase reactions; Sensitizers
Themenfelder/Aktivitätsfelder der BAM:Chemie und Prozesstechnik
DOI:10.1002/chem.201806132
ISSN:0947-6539
Verfügbarkeit des Dokuments:Datei im Netzwerk der BAM verfügbar ("Closed Access")
Datum der Freischaltung:20.05.2019
Referierte Publikation:Ja
Datum der Eintragung als referierte Publikation:20.05.2019
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