Enhancement of antioxidant activity of green tea epicatechins in β-cyclodextrin cavity: Single-crystal X-ray analysis, DFT calculation and DPPH assay
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文摘

The study aims at a deep insight into the structure–antioxidant activity relationship.

X-ray analysis of β-CD inclusion complexes with four major green tea epicatechins.

Structure of the β-CD–EGCG complex is deduced from a full-geometry DFT optimization.

Elevated activity is attributed to a common host–guest stabilization scheme.

The DPPH scavenging activity order is β-CD–EGCG > β-CD–ECG > β-CD–EGC ≈ β-CD–EC.

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