Pregled bibliografske jedinice broj: 1226270
Study of thermodynamics of mechanisms underlying antiradical activity of cinnamic acid derivatives – A theoretical approach
Study of thermodynamics of mechanisms underlying antiradical activity of cinnamic acid derivatives – A theoretical approach // Book of Abstracts, 4th International Congress of Chemists and Chemical Engineers of Bosnia and Herzegovina, Special Issue of Bulletin of the Chemists and Technologists of Bosnia and Herzegovina
Sarajevo, Bosna i Hercegovina, 2022. str. 175-175 (poster, međunarodna recenzija, sažetak, znanstveni)
CROSBI ID: 1226270 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Study of thermodynamics of mechanisms underlying
antiradical activity of cinnamic acid derivatives
– A theoretical approach
Autori
Amić, Ana ; Marković, Zoran ; Klein, Erik ; Dimitrić Marković, Jasmina M. ; Milenković, Dejan
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni
Izvornik
Book of Abstracts, 4th International Congress of Chemists and Chemical Engineers of Bosnia and Herzegovina, Special Issue of Bulletin of the Chemists and Technologists of Bosnia and Herzegovina
/ - , 2022, 175-175
Skup
4th International Congress of Chemists and Chemical Engineers of Bosnia and Herzegovina (ICCCEB&H 2022)
Mjesto i datum
Sarajevo, Bosna i Hercegovina, 30.06.2022. - 02.07.2022
Vrsta sudjelovanja
Poster
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
radical scavenging ; dihydrocaffeic acid ; dihydroferulic acid ; dHAT ; dSPLET ; DFT
Sažetak
In this study, the role of antiradical moieties and molecular conformation in antioxidative potency of dihydrocaffeic acid (DHCA) and dihydroferulic acid (DHFA) was investigated by density functional theory (DFT) method. The thermodynamic preference of different reaction paths of double free radical scavenging mechanisms was estimated, and their reactivity towards different free radicals. Antiradical potency of DHCA and DHFA was compared with that exerted by their unsaturated analogs caffeic acid (CA) and ferulic acid (FA). Cis/trans and anti-isomers of studied cinnamic acid derivatives may scavenge free radicals via double processes by involvement of catechol or guaiacyl moiety. Carboxyl group of syn-isomers may also participate in the inactivation of free radicals. Obtained results indicate that the presence of structural motifs such as the catechol or guaiacyl moiety and carboxyl group in syn-DHCA and syn-DHFA is beneficial for the high scavenging efficiency of investigated phenolic compounds. These antiradical moieties enable inactivation of free radicals via different paths of double free radical scavenging mechanisms. Gibbs free energies of reactions of inactivation of various free radicals indicate that syn-DHCA and syn-DHFA, colon catabolites found in systemic circulation in very low M concentrations, have potential to contribute to health benefits by direct free radical inactivation.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
Citiraj ovu publikaciju:
Časopis indeksira:
- Web of Science Core Collection (WoSCC)
- Emerging Sources Citation Index (ESCI)
