Chrysin flavonoid adsorbed on <scp>B<sub>12</sub>N<sub>12</sub></scp> nanocage ‐ A novel antioxidant nanomaterial-Reference-Cited by-同舟云学术

Chrysin flavonoid adsorbed on B₁₂N₁₂ nanocage ‐ A novel antioxidant nanomaterial

Published:2021-04 Issue:2 Volume:59 Page:211-220
ISSN:2572-8288
Container-title:Vietnam Journal of Chemistry
language:en
Short-container-title:Vietnam Journal of Chemistry

Author:

Khalili Atefeh¹,Baei Mohammad T.²,Ghaboos Seyed Hossein Hosseini¹

Affiliation:

1. Department of Food Science and Technology, Azadshahr Branch, Islamic Azad University Azadshahr, Golestan Iran postal code: 49617‐89985

2. Department of Chemistry, Azadshahr Branch, Islamic Azad University Azadshahr, Golestan Iran

Abstract

AbstractAntioxidative activity of chrysin (CYS) on the B12N12 nanocage has been evaluated by density functional theory with B3PW91‐D3 and M06‐2X‐D3 methods. Adsorption behavior and study of topologies demonstrated that the CYS has chemisorbed to the nanocage and shows notable changes in the electronic properties of B12N12. The antioxidant properties of the CYS and CYS/B12N12 systems have been studied in the different environments by the M06‐2X‐D3 method. The findings demonstrated that in the vacuum phase and water, benzene, and ethanol solvents, the BDE (5O‐H), PDE, PA values of CYS/B12N12 are smaller than those of CYS system. The current study implied that B12N12 nanocage can increase the antioxidative properties of the CYS.

Publisher

Wiley

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/vjch.202000168

Reference35 articles.

1. The Flavonoids

2. Antioxidant and anti-inflammatory activities of six flavonoids separated from licorice

3. Antihypercholesterolemic and antioxidative effects of an extract of the oyster mushroom, Pleurotus ostreatus, and its major constituent, chrysin, in Triton WR-1339-induced hypercholesterolemic rats

4. Effects of propolis flavonoids on virus infectivity and replication;Debiaggi M.;Microbiologica,1990

5. Identification of Flavonoid Markers for the Botanical Origin of Eucalyptus Honey

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