title: An analytical and theoretical approach for the profiling of the antioxidant activity of essential oils: the case of Rosmarinus officinalis L.
abstract: The antioxidant constituents of essential oils (EOs) of Rosmarinus officinalis L. (α-pinene chemotype) were isolated at the flowering (A), post-flowering (B), and vegetative stages (C). GC-MS was used to analyze total chemical composition, Folin-Ciocalteau and Prussian blue methods for reducing substances. Radical scavenging capacity (DPPH test, IC(50) 36.78±0.38, 79.69±1.54, 111.94±2.56μL) and anti-lipoperoxidant activity (TBARS, IC(50) 0.42±0.04, 1.20±0.06μL, 4.07±0.05μL) differed widely in the three stages. Antioxidant activity, identified after silica gel fractionation chromatography, was closely related (R(2)=0.9959) to each EO's content of hydroxilated derivatives, (containing alcohols, phenols and 1,8 cineole): 15.26±0.12%, 7.22±0.06%, and 5.09±0.10% in EOs from A, B, and C. Modeling the C, H, O terpenes in a simulated phospholipid bilayer indicated that anti-lipoperoxidant activity depended on the stability and rapidity of their interactions with the membrane bilayer components, and their positioning over its surface.
authors.affiliation: Department of Pharmaceutical Sciences Pietro Pratesi, Faculty of Pharmacy, University of Milan, via Mangiagalli, 25, 20133 Milan, Italy. giangiacomo.beretta@unimi.it
authors.forename: G
authors.initials: G
authors.lastname: Beretta
authors.forename: R
authors.initials: R
authors.lastname: Artali
authors.forename: R Maffei
authors.initials: RM
authors.lastname: Facino
authors.forename: F
authors.initials: F
authors.lastname: Gelmini
mesh_terms: D000818:Animals; D000975:Antioxidants / Q000032:analysis* / Q000737:chemistry; D001713:Biphenyl Compounds / Q000737:chemistry; D002850:Chromatography, Gel / Q000379:methods; D005295:Ferrocyanides / Q000737:chemistry; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D005782:Gels / Q000737:chemistry; D007202:Indicators and Reagents / Q000737:chemistry; D020128:Inhibitory Concentration 50; D008297:Male; D009822:Oils, Volatile; D010545:Peroxides / Q000737:chemistry; D010851:Picrates / Q000737:chemistry; D010936:Plant Extracts / Q000737:chemistry; D051381:Rats; D017208:Rats, Wistar; D027542:Rosmarinus / Q000378:metabolism*; D012822:Silicon Dioxide / Q000737:chemistry; D013053:Spectrophotometry / Q000379:methods
chemical_list: D000975:Antioxidants; D001713:Biphenyl Compounds; D005295:Ferrocyanides; D005782:Gels; D007202:Indicators and Reagents; D009822:Oils, Volatile; D010545:Peroxides; D010851:Picrates; D010936:Plant Extracts; D012822:Silicon Dioxide; C004931:1,1-diphenyl-2-picrylhydrazyl; C000170:ferric ferrocyanide