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Minjie Li, Weixia Liu, Chunrong Peng, Qinghua Ren, Wencong Lu and Wei Deng A DFT study on reaction of eupatilin with hydroxyl radical in solution International Journal of Quantum Chemistry 113

Article first published online: 16 MAR 2012 | DOI: 10.1002/qua.24060

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Eupatilin is a pharmacologically active flavonoid isolated from medicinal herbs, with shown antitumor, anti-inflammatory, and antioxidative activities. The radical scavenging mechanisms of eupatilin against reactive oxygen species, such as the hydroxyl radical (OH●), is studied using density functional theory. The polarity of the solvent is found to have an important effect on the energetics of the reactions.

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