In this study, a metabolomic approach was used to investigate the effect of seasonality on the chemical composition and yield of anti-inflammatory active principle, α-humulene, in the essential oil of three genotypes of Varronia curassavica Jacq. (Syn. Cordia verbenaceae). The essential oils were extracted by hydrodistillation and analyzed by comprehensive two-dimensional gas chromatography coupled to mass spectrometry (GC×GC-MS). The GC×GC approach a three-fold improvement in qualitative analysis (48 compounds were identified by GC-MS versus 135 by GC×GC-MS). The improved resolving power of GC×GC resolved important coelutions and enabled the detection of unusual substances in V. curassavica essential oil. The chromatographic data was analyzed by using peak table-based chemometrics, namely, principal component analysis (PCA) and hierarchical cluster analysis (HCA). The metabolic study showed that seasonality has a significant effect on the chemical composition. The α-humulene content was affected by genotype and season. Spring and summer were the best harvest seasons for the yield of the active ingredient, found in higher concentrations in the VC2 genotype. The proposed metabolomic workflow was successfully applied to terpene analysis found in V. curassavica essential oil, and such results have broadened our understanding of the influence of seasonal factors on the specialized metabolism of the species.
Analysis of the Chemical Composition of the Essential Oil of Polygonum minus Huds. Using Two-Dimensional Gas Chromatography-Time-of-Flight Mass Spectrometry (GC-TOF MS)
