ArticleJournal of molecular modeling2021
Essential features for antioxidant capacity of ascorbic acid (vitamin C).
Article in Journal of molecular modeling, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 82 citations in OpenAlex.
- Synergistic Ternary Carbon Composite for Enhanced Simultaneous Electrochemical Sensing of Ascorbic Acid, Dopamine, and Uric Acid.Micromachines · 2026Article
- Development and physicochemical evaluation of nutritional drink using underutilized Caralluma tuberculata L.Scientific reports · 2026Article
- Antioxidant potential of sulfenimides in waste walnut oil biodiesel: kinetic stability, phosphomolybdenum activity, and reducing power capacity.Turkish journal of chemistry · 2026Article
- Hemoglobin-based oxygen carriers: evolution, translational applications and clinical considerations.Frontiers in medicine · 2026Review
- Dual-functional nitrogen-doped carbon dot/copper oxide nanocomposites for electrochemical sensing of ascorbic acid and antimicrobial applications.BMC chemistry · 2025Article
- Association of low vitamin C concentrations and low consumption of fresh fruit and vegetables with cardiovascular disease in type 2 diabetes.BMC nutrition · 2025Article
- Dual Stimuli-Responsive Nanoprecursor of Ascorbic Acid and Quinone Methide Disrupting Redox Homeostasis for Cancer Treatment.ACS omega · 2024Article
- Novel and Extremely Sensitive NiAlMolecules (Basel, Switzerland) · 2024Article
- The Browning Properties, Antioxidant Activity, and α-Glucosidase Inhibitory Improvement of Aged Oranges (Foods (Basel, Switzerland) · 2024Article
- Microneedles: A novel clinical technology for evaluating skin characteristics.Skin research and technology : official journal of International Society for Bioengineering and the Skin (ISBS) [and] International Society for Digital Imaging of Skin (ISDIS) [and] International Society for Skin Imaging (ISSI) · 2024Article
- Exosomes isolated from citrus lemon: a promising candidate for the treatment of Alzheimer's disease.Therapeutic delivery · 2024Article
- Comparative Metabolomic and Transcriptomic Analyses Reveal Distinct Ascorbic Acid (AsA) Accumulation Patterns between PCA and PCNA Persimmon Developing Fruit.International journal of molecular sciences · 2023Article
- Mesoporous silica stabilized Cu-Fe bimetallic nanozymes for total antioxidant capacity assay of fruit foods.Applied microbiology and biotechnology · 2023Article
- Diverse antitumor effects of ascorbic acid on cancer cells and the tumor microenvironment.Frontiers in oncology · 2022Review
Corrections and comments
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Authors and funding
6 authors at 2 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Vitamin C or ascorbic acid is an indispensable micronutrient for human health found principally on citrus species such as lemon and orange fruits and vegetables. It was involved in the production of proteins such as collagen. Its biochemical mechanism is related to its antioxidant capacity; however, its function at the cellular level is still unclear. Several theoretical studies about antioxidant and redox mechanisms for ascorbic acid were suggested; however, no derivative was proposed. Thereby, an electronic study of antioxidant capacity for ascorbic acid derivatives was performed using theoretical chemistry at the DFT/ B3LYP/6-311 + + (2d,2p) level of theory. Simplified derivatives show that enol hydroxyls are more important than any other functional group. The vicinal enolic hydroxyl on β position is more important for antioxidant capacity of ascorbic than hydroxyl on α position. According to our molecular modifications, the keto-alkene compound showed the best values when compared to ascorbic acid in some molecular characteristics. No lactone derivatives have superior application potential as antioxidant when compared with ascorbic acid. Several structures are possible to be proposed and were related to spin density contributions and the increase of chemical stability. New promising structural derivatives related to ascorbic acid can be developed in the future.
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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.