A1 Vertaisarvioitu alkuperäisartikkeli tieteellisessä lehdessä
Controlling NO Production Upon Valence Ionization of Nitroimidazoles
Tekijät: Eero Itälä, Hanna Myllynen, Johannes Niskanen, Jesús González-Vázquez, Yang Wang, Dang Trinh Ha, Stephan Denifl, Edwin Kukk
Kustantaja: AMER CHEMICAL SOC
Julkaisuvuosi: 2019
Journal: Journal of Physical Chemistry A
Tietokannassa oleva lehden nimi: JOURNAL OF PHYSICAL CHEMISTRY A
Lehden akronyymi: J PHYS CHEM A
Vuosikerta: 123
Numero: 14
Aloitussivu: 3074
Lopetussivu: 3079
Sivujen määrä: 6
ISSN: 1089-5639
DOI: https://doi.org/10.1021/acs.jpca.8b11342
Tiivistelmä
Nitroimidazole exhibits a remarkable regiose-lective fragmentation subsequent to valence ionization, which is characterized by ejection of NO. As NO is also considered to be an effective radiosensitizer, we investigated its production efficiency as a function of isomeric composition (the site of the NO2 nitro group). We observe strong dependence in the 8.6-15 eV binding energy range, and moreover, that the production of NO can be effectively suppressed by methylation of nitroimidazole. This behavior can be understood by modification of the valence electronic structure with respect to the dissociation threshold, which gives rise to varying effective density of dissociative states. We find the NO yield to follow the efficiency of the nitroimidazole dervivatives as radiosensitizers, found in preclinical studies.
Nitroimidazole exhibits a remarkable regiose-lective fragmentation subsequent to valence ionization, which is characterized by ejection of NO. As NO is also considered to be an effective radiosensitizer, we investigated its production efficiency as a function of isomeric composition (the site of the NO2 nitro group). We observe strong dependence in the 8.6-15 eV binding energy range, and moreover, that the production of NO can be effectively suppressed by methylation of nitroimidazole. This behavior can be understood by modification of the valence electronic structure with respect to the dissociation threshold, which gives rise to varying effective density of dissociative states. We find the NO yield to follow the efficiency of the nitroimidazole dervivatives as radiosensitizers, found in preclinical studies.
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