Naslov
Energy requirements of the reactions of kaempferol and selected radical species in different media: towards the prediction of the possible radical scavenging mechanisms

Autori
Dimitrić Marković, Jasmina ; Milenković, Dejan ; Amić, Dragan ; Popović-Bijelić, Ana ; Mojović, Miloš ; Pašti, Igor ; Marković, Zoran

Izvornik
Structural chemistry (1040-0400) 25 (2014), 6; 1795-1804

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Kaempferol; Radical scavenging activity; Hydroxyl radical; Superoxide anion radical; HAT and SPLET mechanisms

Sažetak
Kaempferol, one of the most bioactive plant flavonoids was experimentally and theoretically (at M05-2X/6-311G(d, p) level of theory) investigated for its ability to scavenge potentially, highly damaging hydroxyl and superoxide anion radicals. Relating the obtained hydroxyl radical activity sequence with kaempferol structural features, it could be assumed that C4′-OH functional most probably renders it as hydroxyl radical scavenger, while C5-OH group has more prominent role compared to ortho-hydroxy groups in B ring. However, kaempferol’s activity toward superoxide anion radical implicates ortho-hydroxy groups in B ring as more relevant. Theoretical calculations point to HAT and SPLET mechanisms as operative for kaempferol in all solvents under investigations.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA