Essential features for antioxidant capacity of ascorbic acid (vitamin C)

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 are more important for antioxidant capacity of ascorbic than hydroxyl on -position. According to our molecular modifications, the keto-alkene compound showed the best values when compared to ascorbic acid in some molecular characteristics. New promising structural derivatives related to ascorbic acid can be developed in the future.

Vitamin C as A Possible Immunity Booster

“…Vitamin C, also known as L-ascorbic acid, is a necessary vitamin for human health that may be obtained primarily from the consumption of citrus fruits like lemons and oranges and vegetables. Vitamin C has antioxidant properties and is required for the synthesis of proteins like collagen [1]. Glutathione and vitamin E, among others, rely on vitamin C's redox potential to stay reduced and regenerate [2].…”

“…Glutathione and vitamin E, among others, rely on vitamin C's redox potential to stay reduced and regenerate [2]. In spite of inconsistent clinical findings, vitamin C has been widely utilised for cancer therapy and prevention [1].…”

“…All of its known physiological and biochemical reactions indicate that it is a reducing agent since it is an electron donor. To achieve this, it uses two electrons from the double bond between the second and third carbons in a 6-carbon molecule [1].…”

Potenciais Efeitos Anticancerígenos Dos Compostos Bioativos Encontrados No Feijão Caupi (Vigna Unguiculata (L.) Walp.)

“…Seguidamente o ácido ascórbico ou vitamina C, é um composto necessário na dieta, que auxilia na proteção de plantas contra o estresse oxidativo, tem forma de cristal branco, é termolábil e não apresenta odor (SMIRNOFF, 2000;AZULAY, et al, 2003). Encontra-se especialmente em alimentos cítricos como o limão, é capaz de produzir proteínas como o colágeno e conta com propriedades antioxidantes (Santos et al, 2021). O ácido ascórbico também desempenha efeitos anti-infl amatórios e melhora o sistema imunológico, portanto, seu consumo pode ser favorável na prevenção e no tratamento do câncer (Abiri & Vafa, 2021).…”

A DFT study on the scavenging activity of curcumin toward methyl and ethyl radicals

“…Agnihotri and Mishra [16] had investigated in details the scavenging mechanisms of curcumin toward the hydroxyl radical theoretically using the BHandH-LYP/aug-cc-pVDZ and B3LYP/aug-cc-pVDZ levels of density functional theory (DFT) in both gas phase and aqueous media. Recently Brenda et al [17]reported that curcumin, caffeic acid, phenethylester, and chicoric acid could act as potent oxidative stress scavengers by studying theoretically their antiradical properties towards OH • , NO 2…”