Pregled bibliografske jedinice broj: 1125747
Selected Thermodynamic Parameters of Antioxidant Activity of Coumarin Based Heterocyclic Compounds
Selected Thermodynamic Parameters of Antioxidant Activity of Coumarin Based Heterocyclic Compounds // The 24th International Electronic Conference on Synthetic Organic Chemistry
Electronic Conference, 2020. (predavanje, međunarodna recenzija, pp prezentacija, znanstveni)
CROSBI ID: 1125747 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
Selected Thermodynamic Parameters of Antioxidant
Activity of Coumarin Based Heterocyclic Compounds
Autori
Amić, Ana ; Gotal, Elena
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, pp prezentacija, znanstveni
Skup
The 24th International Electronic Conference on Synthetic Organic Chemistry
Mjesto i datum
Electronic Conference, 15.11.2020. - 15.12.2020
Vrsta sudjelovanja
Predavanje
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
coumarin ; PM7 ; HAT ; SET-PT
Sažetak
Coumarin and coumarin derivatives are bioactive compounds that have an important role in medicinal chemistry. These compounds are also very powerful antioxidants that successfully scavenge free radicals and prevent or alleviate oxidative stress. The antioxidant potential of selected heterocyclic compounds containing coumarin core was investigated theoretically, the focus of this study was on hydrogen atom transfer mechanism (HAT) and sequential electron transfer followed by proton transfer mechanism (SET-PT). Using MOPAC2012 PM7, reaction enthalpies related to the cleavage of O–H, N–H and C–H bonds via selected mechanisms of free radical scavenging were studied and calculated. The effect of the position of the hydroxyl group, as well as other functional groups, on the antioxidant activity was examined.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
