International audienceLavender (Lavandula angustifolia) and lavandin (sterile hybrid of L. angustifolia P. Mill. x Lavandula latifolia (L.f.) Medikus) are widely cultivated in the Mediterranean area for produce essential oils. In this study, 80 lavandin and 55 lavender essential oil samples from various varieties were analyzed. Firstly, a chemometric treatment of mid-infrared spectra was used to evaluate the capacity of Partial Least Squares Discriminant Analysis (PLS-DA) regression to discriminate French lavandin and lavender essential oil (EO) samples and their varieties (Abrial, Fine, Grosso, Maillette, Matherone, Sumian and Super), and secondly, to quantify the main compounds such as linalyl acetate, linalool, eucalyptol and camphor by PLS regression using reference data from gas chromatography. The examination of PLS and PLS-DA regression coefficients allowed the identification of metabolomic markers. The lavender/lavandin EOs and their varieties were very well classified (100% for lavender/lavandin EOs and between 98 and 100% for varieties). The calibration models obtained by PLS regression for the determination of the main compound contents revealed good correlation (>0.86) between the predicted and reference values. This method can be used to control the authenticity and traceability of lavender/lavandin and their varieties. Finally, mid-infrared and Raman spectroscopy results were compared

International audienceLavender (Lavandula angustifolia) is used for cosmetics, perfumes and medicine (antimicrobial activity and relaxant properties) while lavandin (sterile hybrid of L. angustifolia P. Mill.xLavandula latifolia (L.f.) Medikus) is used for air fresheners, deodorants and soaps. These plants are widely cultivated for essential oil production. In this study, 104 samples were analyzed including 62 lavandin and 42 lavender oil samples from several varieties. The Raman spectra are similar but can be differentiated by chemometrics treatment. Data structure may be studied by PCA. A PLS regression model was used for quantitative analysis of the main compounds such as linalyl acetate, linalool and eucalyptol. The reference data were obtained by gas chromatography. The performance of the method was also tested to discriminate between the two species and the seven varieties (Abrial, Fine, Grosso, Maillette, Matherone, Sumian and Super) by PLS-DA regression. The examination of PLS and PLS-DA regression coefficients allowed for the identification of species and of the varieties' metabolomic markers

International audienceChemometric treatments of near infrared (NIR) spectra were used firstly to understand data structure by principal component analysis (PCA), to discriminate, by partial least squares-discriminant analysis (PLS-DA) regression, French lavender and lavandin essential oils (EOs) samples (n = 160) and the seven varieties (Abrial, Fine, Grosso, Maillette, Matherone, Sumian and Super) and to quantify the main compounds such as linalyl acetate, linalool, eucalyptol and camphor by PLS regression models. The study was carried out over three crop years (2012–2014) to take seasonal variations into account. French lavender and lavandin EOs and their varieties were well classified (100% for lavender/lavandin EOs and between 96 and 100% for varieties) by PLS-DA regression models. The calibration models obtained by PLS regression for the determination of the main compound contents revealed good correlation (≥0.97) between the predicted and reference values. In the case of major compounds including linalyl acetate and linalool, the relative error of prediction (REP) is close to 2.5%. Partial least squares regression vectors allowed us to identify lavandulyl acetate, eucalyptol, linalool, camphor, trans-ocimene,-caryophyllene and linalyl acetate as metabolomic indicators of Fine, Maillette, Matherone, Abrial, Grosso, Super and Sumian varieties respectively. The use of NIR spectra allowed for an improvement in French lavender and lavandin EOs characterization, quality control and traceability

Polarimetric HPLC detector was used to acquire chromatograms for lavender/lavandin essentials oils (EOs) on different chiral stationary phases. Amylose tris-(3,5-dichloro-phenylcarbamate) immobilized on silica allowed the best separation of the numerous chiral phytomarkers and was thus used to obtain a chiroptical fingerprint for 158 samples of French lavender/lavandin EOs. Samples from different varieties (Abrial, Fine, Grosso, Maillette, Matherone, Sumian and Super) were collected over three crop years (2012, 2013 and 2014), from four different locations in France ("Alpes-de-Haute-Provence", "Ardèche", "Drôme" and "Vaucluse") to take into account seasonal and geographic origin variations. The combination of the polarimetric fingerprints and chemometrics was tested for varietal discrimination. We assessed the ability to discriminate the EOs samples and their variety by partial least squares-discriminant analysis (PLS-DA). This case study showed that liquid chromatography with polarimetric detector in tandem with chemometric analysis was efficient to differentiate the varietal origins of French lavender/lavandin EOs.