Enhanced Antioxidant Activity of Ursolic Acid by Complexation with Copper (II): Experimental and Theoretical Study.
antioxidant
copper (II) complex
quantum-chemical calculations
spectroscopy
ursolic acid
Journal
Materials (Basel, Switzerland)
ISSN: 1996-1944
Titre abrégé: Materials (Basel)
Pays: Switzerland
ID NLM: 101555929
Informations de publication
Date de publication:
07 Jan 2021
07 Jan 2021
Historique:
received:
31
10
2020
revised:
02
12
2020
accepted:
31
12
2020
entrez:
12
1
2021
pubmed:
13
1
2021
medline:
13
1
2021
Statut:
epublish
Résumé
The copper (II) complex of ursolic acid (Cu(II) UA) was synthesized and discussed in terms of its infrared, UV-visible spectra, quantum-chemical calculations at B3LYP/6-31G(d) level and antioxidant capacity. The copper (II) complex was stable in methanolic solution with the molar ratio metal:ligand 1:1. The data obtained by FT-IR confirmed the metal ion coordination through the carboxylate anion. The antioxidant properties of ursolic acid and its complex with Cu were discussed on the basis of energy of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) and values of chemical reactivity parameters. The antiradical properties of ursolic acid and the Cu (II) complex were examined against DPPH
Identifiants
pubmed: 33430329
pii: ma14020264
doi: 10.3390/ma14020264
pmc: PMC7825779
pii:
doi:
Types de publication
Journal Article
Langues
eng
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