ArticleJournal of molecular modeling2018
Examining the reaction between antioxidant compounds and 2,2-diphenyl-1-picrylhydrazyl (DPPH) through a computational investigation.
Article in Journal of molecular modeling, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- Computational insight into the antioxidant activity of thymol in diverse solvent environments: a DFT approach.Journal of molecular modeling · 2026Article
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- Green synthesis, characterization, and biological evaluation of gold and silver nanoparticles using Mentha spicata essential oil.Scientific reports · 2023Article
- Fisetin and Robinetin antiradical activity under solvent effect: density functional theory study.Journal of molecular modeling · 2022Article
- Theoretical investigations on the antioxidant potential of a non-phenolic compound thymoquinone: a DFT approach.Journal of molecular modeling · 2021Article
- Probing structural properties and antioxidant activity mechanisms for eleocarpanthraquinone.Journal of molecular modeling · 2020Article
- Mechanism of antioxidant properties of quercetin and quercetin-DNA complex.Journal of molecular modeling · 2020Article
- Simultaneous Study of Anti-Ferroptosis and Antioxidant Mechanisms of Butein and (Molecules (Basel, Switzerland) · 2020Article
- Kinetics and Mechanism of the Antioxidant Activities ofACS omega · 2019Article
- A computational study on the reaction between fisetin and 2,2-diphenyl-1-picrylhydrazyl (DPPH).Journal of molecular modeling · 2019Article
- Evaluation of the antioxidant potential of myricetin 3-O-α-L-rhamnopyranoside and myricetin 4Journal of molecular modeling · 2019Article
- Antioxidant Mechanisms of Echinatin and Licochalcone A.Molecules (Basel, Switzerland) · 2018Article
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Authors and funding
4 authors.
Funding
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Abstract
In this work, we present a computational investigation on the reactions between two well-known antioxidants (quercetin and morin) and 2,2-diphenyl-1-picrylhydrazyl (DPPH). A density functional theory (DFT) approach with the B3LYP functional and the 6-31G(d,p) basis set was used for the simulations. The structural and energetic parameters (Gibbs free-energy, ΔG, and Gibbs free-energy of activation, ΔG
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