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Thesis Name: Preparation, biological activity and quantum chemistry calculation of quercetin-Aluminium complex
Usage: biological activity
Keyword: quercetin, complex, biological activity, ab initio calculation
Remarks: Al(C15H9O7)3·4H2O was synthesized via reaction of quercetin with Al3+ in solution and characterized by elemental analysis, IR, 1HNMR and thermal analysis. Then its biological activity was measured by means of pyrogallol autoxidation. The result shows that it has stronger antioxidative activity than quercetin. Quantum chemistry calculation was performed by using Gaussian 98 program at HF/LanL2DZ basis set. The geometry structure, vibrational frequency, population and molecular orbital were discussed, which theoretically gives more information on the structure of the complex and the reason why it has stronger antioxidative activity, so that experimental results agree with the theoretical calculation.
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