Chemometric analysis of French lavender and lavandin essential oils by near infrared spectroscopy

Abstract

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

Chiroptical fingerprints to characterize lavender and lavandin essential oils

“…Lavender EOs are sometimes characterized by nonenantioselective techniques, such as gas chromatography [30] , vibrational spectroscopies [31,32] or both [33] . Their chiral components can be studied, on one hand, by enantioselective GC, that is available since the early 90s [34] , thanks to the enantioselectivity of cyclodextrin derivatives.…”

Weighing paper‐assisted magnetic ionic liquid headspace single‐drop microextraction using microwave distillation followed by gas chromatography–mass spectrometry for the determination of essential oil components in lavender

“…The unsupervised principal component analysis (PCA) was used to analyze the volatile components in lavender which were obtained at three harvest times in years 2012, 2015, and 2017. PCA is a method of compressing the dimension of vector data by extracting principal typical components from sample data set [2]. The PCA was preliminarily performed both on raw and pre-processed compound relative content of the whole dataset, to explore their characteristics and detect clustering or trends among samples.…”

“…In recent years, lavender is widely cultivated in Xinjiang of China. A number of studies have revealed that the lavender essential oil has a wide spectrum of biological activities such as sedative hypnosis [2] anti-depression, antibacterial [3], antioxidant [4], anti-coagulation, antimutation, and deworming ones [5,6]. Therefore, the essential oils of lavender plants are used in many applications such as in the food [7], cosmetic, fragrance, and pharmacy industries [8,9].…”

Verification of Chromatographic Profile of Primary Essential Oil of Pinus sylvestris L. Combined with Chemometric Analysis

“…In recent years, chromatographic profiling is often combined with multivariate analysis to evaluate the relationship between the chemical composition and quality, taxonomic identification or geographical origin [ 36 , 41 , 42 ]. Hyphenation of the chromatographic profile to multivariate analysis has already been performed in several studies for quality evaluation of EOs [ 43 , 44 , 45 , 46 ]. Since standards of primary pine EOs are still lacking and evaluation is challenging, verification of the chromatographic profile of these EOs combined with chemometric methods is needed.…”