DFT study of the electr onic structures and energetic s of different isome rs of curcumin

Curcumin is the m ainly yellow phenolic material of tumeric and widely used as feed col oring additi ve. Numeric experimental studies have de monstrated that curcu min has v arious biolog ical activities,including antioxidant activity,ca ncer preve ntion activity, antigiog enesis activity,AD diseas e preventio n activity. In this paper accurate quantu m chemical studies employing DFT study on di fferent isomers of curcu min in the g as phase an d aqueous solution has been carried out with the objective of finding the equili brium struc ture ,charge ,bonding characteristic and nature of mol ecular orbitals particular ly the high est occupie d and lo west unoccu pied that a re importa nt for bindin g.

کلیدواژه ها:

Curc umin ، isomer ، DFT ، GA MESS-US