ArticleMolecules (Basel, Switzerland)2025
The Role of Chalcogen in the ROS Scavenging Mechanism of Model Phenyl Compounds.
Article in Molecules (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- A Systematic Topological Picture of ROS Scavenging Activity via Formal Hydrogen Atom Transfer in Phenols and Polyphenols.The Journal of organic chemistry · 2026Article
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Authors and funding
4 authors.
Funding
Abstract
Phenolic compounds are important antioxidants with great ROS scavenging potential and the presence of the hydroxyl groups is fundamental for this chemical activity. Therefore, changing the chalcogen atom (oxygen) with any of its siblings of group 16 (sulfur, selenium and tellurium) may affect the reactivity of these compounds. In this work, the ROS scavenging activity and mechanism of phenyl chalcogenols was evaluated in silico, unravelling better performance with heavier chalcogens, both thermodynamically and kinetically. Furthermore, a scavenging mechanism switch is reported, moving from Concerted Proton Electron Transfer (CPET) in phenols to Hydrogen Atom Transfer (HAT) in the other phenyl chalcogenols. Both kinetic trends and mechanistic features are rationalized in the framework of Activation Strain Analysis (ASA). Lastly, the role of aromaticity is evidenced by analyzing the differences between the phenol/phenoxyl and methanol/methoxyl self-exchange reactions, as well as between the corresponding processes with the other chalcogens.
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