Mempelajari Cara Penentuan Aktivitas Antioksidan Flavonoid dan Kaempferol Tersubstitusi Gugus Penarik Elektron dan Gugus Pendonor Elektron Berdasarkan Metode Austin Model 1 (AM1)

AZUXETULLATIF, AZUXETULLATIF (2017) Mempelajari Cara Penentuan Aktivitas Antioksidan Flavonoid dan Kaempferol Tersubstitusi Gugus Penarik Elektron dan Gugus Pendonor Elektron Berdasarkan Metode Austin Model 1 (AM1). Diploma thesis, Universitas Andalas.

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Abstract

Measurement of flavonoid activity from antioxidant has been studied, it is based on average of the bond dissociation enthalphy (BDE), single electron transfer-proton transfer (SET-PT), proton affinity (PA), and electron transfer enthalphy (ETE). These study used AM1 semi-empiric methods. The result showed that the antioxidant activity of flavonoid could be determine by simple and double linear of regression equation such as y = 41,897 + 0,002 BDErt + 0,355 SET-PTrt– 0,338 PArt y = 41,077 + 0,018 SET-PTrt+ 0,340 ETErt y = 41,301 + 0,342 ETErt the value of R2 are 0,923; 0,923; and 0,916. Respectivety these equation are used to determine the antioxidant activity of kaempferol which are substituted with withdrawing electron group (Cl, F, CN, NO and NO2) and donor electron group (NHCH3, N(CH3)2, and OCH3) on C5’ and C6’. Substituted group for those withdrawing and donor electron on C5’ increased the antioxidant activity, except for CH3, NH2, NHCH3, N(CH3)2, and OCH3, decreased the antioxidant activity. Meanwhile antioxidant activity is increased by adding withdrawing electron and donor electron group C6’, and decreased by present of Cl, F, NH2, and N(CH3)2 group of C6’ Keywords: Flavonoid, Kaempferol, Semi-empirical AM1, QSAR

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