A Systematic Topological Picture of ROS Scavenging Activity via Formal Hydrogen Atom Transfer in Phenols and Polyphenols

Key Points

• The research aims to establish criteria for effective polyphenolic antioxidants based on their hydrogen atom transfer capabilities.
• Systematic assessment of polyphenolic antioxidants and their deprotonation values under physiological conditions.
• Validation of antioxidant criteria through real system analysis such as anthocyanidins.
• Identified effective criteria for polyphenolic antioxidants that exhibit significant ROS scavenging activity.
• Demonstrated the applicability of these criteria in real systems, providing tools for future drug design.