Antioxidant Activity of an Industrial Cupuassu Seed By‐product: Molecular Modeling of Phenolic Compounds. Issue 2 (29th November 2018)

• Record Type: Journal Article
• Authors: Silva da Costa, Russany; de Farias Silva, Natália; Gabbay Alves, Taís Vanessa; Fernandes da Silva, Milena; do Socorro Barros Brasil, Davi; Ribeiro-Costa, Roseane Maria; Converti, Attilio; Carréra Silva, José Otávio
• Is Part Of: Chemical engineering & technology. Volume 42:Issue 2(2019)
• Page Start: 397
• Page End: 406
• Publication Date: 2018-11-29
• Subjects: Antioxidant activity -- Cupuassu -- Molecular electrostatic potential -- Molecular modeling; Chemical engineering -- Periodicals; Chemical processes -- Periodicals; 660.05
• DOI: 10.1002/ceat.201800299
• Languages: English
• ISSNs: 0930-7516

Abstract

Abstract: To better understand the biological properties of cupuassu seed residue resulting from fruit industrial processing, its antioxidant activity was determined by both the 2, 2‐diphenyl‐1‐picrylhydrazyl and 2, 2′‐azino‐bis(3‐ethylbenzothiazoline‐6‐sulfonic acid) assays. Molecular modeling was used to correlate the antiradical power of eleven known cupuassu phenolic compounds with their structures. The extract antioxidant activity by both methods was very high compared with those of similar residues. The properties of the highest occupied and lowest unoccupied molecular orbitals indicate that the most energetically stable compounds possess the highest antioxidant activity. This was confirmed through the molecular electrostatic potential map by the nucleophilic surfaces on the oxygen atoms of carbonyl and hydroxyl groups. Abstract : The concentrated extract of the industrial residue of cupuassu seeds, a popular Amazonian fruit, exhibits high antioxidant activity and antiradical power. To better understand the biological properties of waste from industrial seed processing, its antioxidant activity was determined. Molecular modeling helped to relate the antiradical power of eleven cupuassu phenolics with their structures.