Energy Transfer in Microhydrated Uracil, 5-Fluorouracil, and 5-Bromouracil

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F17%3A00479593" target="_blank" >RIV/61388955:_____/17:00479593 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60461373:22340/17:43914365

Výsledek na webu

<a href="http://dx.doi.org/10.1021/acs.jpcb.7b07390" target="_blank" >http://dx.doi.org/10.1021/acs.jpcb.7b07390</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jpcb.7b07390" target="_blank" >10.1021/acs.jpcb.7b07390</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Energy Transfer in Microhydrated Uracil, 5-Fluorouracil, and 5-Bromouracil

Popis výsledku v původním jazyce

Experiment and theory are combined to study the interaction of low energy electrons with microhydrated uracil and its halogenated analogues 5-fluorouracil and 5-bromouracil. We report electron ionization (EI) and electron attachment (EA) mass spectra for the uracils with different degrees of hydration. Both EI and EA lead to evaporation of water molecules. The number of evaporated molecules serves as a measure of the energy transferred to the solvent. Upon EI, the amount of energy transferred to neighboring water molecules is similar for all three studied species. On the other hand, the energy transferred upon EA rises significantly from uracil to 5-fluorouracil and 5-bromouracil. 5-Bromouracil is the only studied molecule that undergoes dissociative electron attachment after hydration at the studied energy of 1.2 eV. Theoretical modeling of the energetics for the electron attachment process allows for setting the energy transferred to the solvent on the absolute scale. We discuss the importance of this energy for the radiosensitization.

Název v anglickém jazyce

Energy Transfer in Microhydrated Uracil, 5-Fluorouracil, and 5-Bromouracil

Popis výsledku anglicky

Experiment and theory are combined to study the interaction of low energy electrons with microhydrated uracil and its halogenated analogues 5-fluorouracil and 5-bromouracil. We report electron ionization (EI) and electron attachment (EA) mass spectra for the uracils with different degrees of hydration. Both EI and EA lead to evaporation of water molecules. The number of evaporated molecules serves as a measure of the energy transferred to the solvent. Upon EI, the amount of energy transferred to neighboring water molecules is similar for all three studied species. On the other hand, the energy transferred upon EA rises significantly from uracil to 5-fluorouracil and 5-bromouracil. 5-Bromouracil is the only studied molecule that undergoes dissociative electron attachment after hydration at the studied energy of 1.2 eV. Theoretical modeling of the energetics for the electron attachment process allows for setting the energy transferred to the solvent on the absolute scale. We discuss the importance of this energy for the radiosensitization.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2017

Kód důvěrnosti údajů

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

Název periodika

Journal of Physical Chemistry B

ISSN

1520-6106

e-ISSN

—

Svazek periodika

121

Číslo periodika v rámci svazku

38

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

10

Strana od-do

8965-8974

Kód UT WoS článku

000412150700010

EID výsledku v databázi Scopus

2-s2.0-85030457114