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Oxidation of kaempferol and its iron(III) complex by DPPH radicals: spectroscopic and theoretical study

机译:DPPH自由基氧化山emp酚及其铁(III)配合物的光谱和理论研究

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摘要

Kaempferol (3,5,7-trihydroxy-2-(4-hydroxy-phenyl)-4H-chromen-4-one), one of the most bioactive plant flavonoids, was quantitatively investigated for its ability to bind iron and scavenge DPPH radicals. The DPPH reduction test showed kaempferol and its iron complex to be less potent antioxidants towards DPPH radicals compared to structurally similar fiavone molecules quercetin, baicalein, fisetin, morin, and their iron complexes. The equilibrium geometries of free and complexed kaempferol were optimized with the M05-2X functionals and 6-311G(d,p) basis set.
机译:生物活性最高的植物类黄酮之一的山奈酚(3,5,7-三羟基-2-(4-羟基-苯基)-4H-铬-4-酮)被定量研究了其结合铁和清除DPPH自由基的能力。 DPPH还原测试显示,与结构相似的黄酮分子槲皮素,黄ical素,菲塞汀,莫林及其铁络合物相比,山奈酚及其铁络合物对DPPH自由基的抗氧化剂作用较弱。使用M05-2X官能团和6-311G(d,p)基集优化了游离和络合山emp酚的平衡几何构型。

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