title: Combination of GC/FID/Mass spectrometry fingerprints and multivariate calibration techniques for recognition of antimicrobial constituents of Myrtus communis L. essential oil.
abstract: Myrtus communis L. is an aromatic evergreen shrub and its essential oil possesses known powerful antimicrobial activity. However, the contribution of each component of the plant essential oil in observed antimicrobial ability is unclear. In this study, chemical components of the essential oil samples of the plant were identified qualitatively and quantitatively using GC/FID/Mass spectrometry system, antimicrobial activity of these samples against three microbial strains were evaluated and, these two set of data were correlated using chemometrics methods. Three chemometric methods including principal component regression (PCR), partial least squares (PLS) and orthogonal projections to latent structures (OPLS) were applied for the study. These methods showed similar results, but, OPLS was selected as preferred method due to its predictive and interpretational ability, facility, repeatability and low time-consuming. The results showed that α-pinene, 1,8 cineole, β-pinene and limonene are the highest contributors in antimicrobial properties of M. communis essential oil. Other researches have reported high antimicrobial activities for the plant essential oils rich in these compounds confirming our findings.
authors.affiliation: Department of Analytical Chemistry, Faculty of Chemistry, University of Kashan, 87317-51167 Kashan, Iran.
authors.forename: Ebrahim H
authors.initials: EH
authors.lastname: Ebrahimabadi
authors.affiliation: Department of Analytical Chemistry, Faculty of Chemistry, University of Kashan, 87317-51167 Kashan, Iran. Electronic address: s.m.ghoreishi@kashanu.ac.ir.
authors.forename: Sayed Mehdi
authors.initials: SM
authors.lastname: Ghoreishi
authors.affiliation: Department of Analytical Chemistry, Faculty of Chemistry, University of Kashan, 87317-51167 Kashan, Iran.
authors.forename: Saeed
authors.initials: S
authors.lastname: Masoum
authors.affiliation: Essential Oils Research Institute, University of Kashan, 87317-51167 Kashan (Qamsar), Iran.
authors.forename: Abdolrasoul H
authors.initials: AH
authors.lastname: Ebrahimabadi
mesh_terms: D000890:Anti-Infective Agents / Q000737:chemistry*; D002138:Calibration; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D015999:Multivariate Analysis; D031651:Myrtus / Q000737:chemistry*; D009822:Oils, Volatile / Q000737:chemistry*; D025341:Principal Component Analysis
chemical_list: D000890:Anti-Infective Agents; D009822:Oils, Volatile
keywords: Antimicrobial activity; Essential oil; GC/FID technique; GC/Mass spectrometry; Myrtus communis L.; Orthogonal projections to latent structures (OPLS)