Comprehensive evaluation of antioxidant activity: a chemometric approach using principal component analysis.
A novel chemometric approach is described for evaluating the radical scavenging activity of biogenic amine related compounds by using the 2,2-diphenyl-1-picrylhydrazyl (DPPH) procedure and principal component analysis (PCA) tool. By a comprehensive chemometric investigation of variations in the radical scavenging profiles provided by the full-range UV-Vis spectra for different test duration and different relative concentrations (different molar ratio - [AH]/[DPPH]) of the investigated compounds, new antioxidant activity evaluation parameters were proposed. The new proposed parameters (PC1, mPC1, maxPC1) are in good agreement with the reference DPPH results (% RSA and IC50 derived from the reference DPPH test), obtained for the investigated amines and reference antioxidants. Much more, the PCA profiles are better patterns for the comprehensive characterization of radical scavenging activity of compounds, allowing visualization of complex information by a simple graphical representation and underlying the (dis)similarity of compounds related both to the reaction kinetics and compounds concentration.
Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babeş-Bolyai University, Arany Janos Str., No. 11, RO-400028 Cluj-Napoca, România. Electronic address: casoni_dorina@yahoo.com.
Dorina
D
Casoni
Costel
C
Sârbu
D000975:Antioxidants / Q000032:analysis*; D001713:Biphenyl Compounds / Q000032:analysis; D016000:Cluster Analysis; D016166:Free Radical Scavengers / Q000737:chemistry; D010851:Picrates / Q000032:analysis; D025341:Principal Component Analysis / Q000379:methods*; D012015:Reference Standards; D013056:Spectrophotometry, Ultraviolet
D000975:Antioxidants; D001713:Biphenyl Compounds; D016166:Free Radical Scavengers; D010851:Picrates; C004931:1,1-diphenyl-2-picrylhydrazyl
Antioxidant activity; Biogenic amine related drugs; PCA profiles; Radical scavenging activity; UV–Vis spectra