ArticleACS omega2020
Comparison of Vitamin C and Its Derivative Antioxidant Activity: Evaluated by Using Density Functional Theory.
Article in ACS omega, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 27 papers, 1 of them a synthesis that pooled it.
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The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
27 citing papers in PubMed, 1 synthesis or guideline pooled it.
- The Role and Efficacy of Vitamin C in Sepsis: A Systematic Review and Meta-Analysis.Advances in respiratory medicine · 2022Pooled it
- The Illusion of Simplicity: The Dramatic Failure of Koopmans' Theorem for Antioxidants in Solvents-The Ascorbic Acid Paradigm.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
- From Leuco to Blue: Photochemical Redox Amplification for Small-Molecule Immunodetection.Journal of the American Chemical Society · 2026Article
- Integrated quantum chemical andFood chemistry. Molecular sciences · 2026Article
- Naringin and Naringenin Functionalized Silver Nanoparticles: Synthesis, Characterization and Biological Evaluation.Pharmaceutics · 2025Article
- Theoretical study on the influence of OH group position on the free radical scavenging ability of tryptamine derivatives.RSC advances · 2025Article
- Enhancement of Growth, Antioxidant Activity, and Immunity in Nile Tilapia (Antioxidants (Basel, Switzerland) · 2025Article
- Bioactive metal-protein matrix for promoting MRSA infection wound therapy through bioenergy-induced angiogenesis.Theranostics · 2025Article
- Bioactive Compounds and Antioxidant Capacity of Pulp, Peel and Seeds from Jeriva (Antioxidants (Basel, Switzerland) · 2024Article
- Comprehensive Analysis of Novel Synergistic Antioxidant Formulations: Insights into Pharmacotechnical, Physical, Chemical, and Antioxidant Properties.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Role of Natural Antioxidants in Cancer.Cancer treatment and research · 2024Review
- Attenuation of sodium arsenite mediated ovarian DNA damage, follicular atresia, and oxidative injury by combined application of vitamin E and C in post pubertal Wistar rats.Naunyn-Schmiedeberg's archives of pharmacology · 2023Article
- Comprehensive Overview of the Effects ofLife (Basel, Switzerland) · 2023Review
- Targeting Iron-Sulfur Clusters in Cancer: Opportunities and Challenges for Ferroptosis-Based Therapy.Cancers · 2023Review
- Biological Screening and Crystallographic Studies of Hydroxy γ-Lactone Derivatives to Investigate PPARγ Phosphorylation Inhibition.Biomolecules · 2023Article
- Antioxidant Activity, Stability in Aqueous Medium and Molecular Docking/Dynamics Study of 6-Amino- andInternational journal of molecular sciences · 2023Article
- The interplay of oxidative stress and immune dysfunction in Hashimoto's thyroiditis and polycystic ovary syndrome: a comprehensive review.Frontiers in immunology · 2023Review
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- Mitophagy and reactive oxygen species interplay in Parkinson's disease.NPJ Parkinson's disease · 2022Review
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Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Vitamin C (VC) is an essential antioxidant, but its application is limited because of its unstable chemical properties. Hence, a variety of VC derivatives have emerged in practical antioxidant applications. To explore the relationship between the antioxidant properties and the chemical structures of vitamin C and its derivatives, density functional theory (DFT) was used in this work to calculate the reaction enthalpies of the mechanisms related to radical scavenging activity. The structures were optimized at the B3LYP-D3(BJ)/6-31G* level of theory. Single point calculations (SPE) were performed at the PWPB95-D3 (BJ)/def2-QZVPP level. To estimate the solvent effect on antioxidant properties, the SMD (solvation model based on density) method was used. The results showed that in the process of optimizing the chemical structure of vitamin C, the antioxidant capacity of its derivatives decreased slightly in aqueous solvents. In the calculation process, it is also found that in the choice of antioxidant mechanism, these compounds are more inclined to the hydrogen atom transfer (HAT) mechanism, and from the chemical structure point of view, the double bond of the lactone ring is essential for its free radical scavenging activity. In general, it is necessary to continue to optimize the structure of VC to obtain derivatives with better oxidation resistance and more practical value.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.