Low-Energy Electron Induced Reactions in Metronidazole at Different Solvation Conditions

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F22%3A00558895" target="_blank" >RIV/61388955:_____/22:00558895 - isvavai.cz</a>

Result on the web

<a href="http://hdl.handle.net/11104/0332390" target="_blank" >http://hdl.handle.net/11104/0332390</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/ph15060701" target="_blank" >10.3390/ph15060701</a>

Result language

angličtina

Original language name

Low-Energy Electron Induced Reactions in Metronidazole at Different Solvation Conditions

Original language description

Metronidazole belongs to the class of nitroimidazole molecules and has been considered as a potential radiosensitizer for radiation therapy. During the irradiation of biological tissue, secondary electrons are released that may interact with molecules of the surrounding environment. Here, we present a study of electron attachment to metronidazole that aims to investigate possible reactions in the molecule upon anion formation. Another purpose is to elucidate the effect of microhydration on electron-induced reactions in metronidazole. We use two crossed electron/molecular beam devices with the mass-spectrometric analysis of formed anions. The experiments are supported by quantum chemical calculations on thermodynamic properties such as electron affinities and thresholds of anion formation. For the single molecule, as well as the microhydrated condition, we observe the parent radical anion as the most abundant product anion upon electron attachment. A variety of fragment anions are observed for the isolated molecule, with NO2- as the most abundant fragment species. NO2- and all other fragment anions except weakly abundant OH- are quenched upon microhydration. The relative abundances suggest the parent radical anion of metronidazole as a biologically relevant species after the physicochemical stage of radiation damage. We also conclude from the present results that metronidazole is highly susceptible to low-energy electrons.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10403 - Physical chemistry

Project

<a href="/en/project/LTC20067" target="_blank" >LTC20067: Electronic and nuclear dynamics in molecules and clusters initiated by electron impact</a><br>

Continuities

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year

2022

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Pharmaceuticals

ISSN

1424-8247

e-ISSN

1424-8247

Volume of the periodical

15

Issue of the periodical within the volume

6

Country of publishing house

CH - SWITZERLAND

Number of pages

12

Pages from-to

701

UT code for WoS article

000818433500001

EID of the result in the Scopus database

2-s2.0-85131713323