Comparative chemometric analyses of geographic origins and compositions of lavandin var. Grosso essential oils by mid infrared spectroscopy and gas chromatography

Lavandin, a sterile hybrid of Lavandula angustifolia P. Mill. × Lavandula latifolia (L.f.) Medikus (Lamiaceae) is a plant widely cultivated for essential oil production in the South of France. Chemometric treatment by mid-infrared (MID-IR) spectroscopy data was assessed for the differentiation of Gr...

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Veröffentlicht in:Analytica chimica acta 2008-04, Vol.613 (1), p.31-39
Hauptverfasser: Bombarda, I., Dupuy, N., Da, J.-P. Le Van, Gaydou, E.M.
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creator Bombarda, I.
Dupuy, N.
Da, J.-P. Le Van
Gaydou, E.M.
description Lavandin, a sterile hybrid of Lavandula angustifolia P. Mill. × Lavandula latifolia (L.f.) Medikus (Lamiaceae) is a plant widely cultivated for essential oil production in the South of France. Chemometric treatment by mid-infrared (MID-IR) spectroscopy data was assessed for the differentiation of Grosso Lavandin Essential Oils of Controlled Area (GLEOCA) and results were compared to those obtained by gas chromatography for MID-IR short time technique validation. The quantification of the main 13 hydrocarbons and oxygenated compounds generally controlled by industrial perfumers in GLEOCA samples ( n = 83) of three geographic origins: “Simiane”, “Puimoisson” (with two producers) and “Richerenches” and their classification were successfully obtained by partial least square discriminant analysis (PLS-DA) by comparison with gas chromatography. The best prediction results were obtained using first derivate spectral data in the 1800–700 cm −1 range. The spectroscopic interpretation of regression vectors showed that each geographic origin was correlated to components of GLEOCA. Chemometric MID-IR spectra treatments allowed us to obtain similar results than those obtained by time consuming analytical techniques such as GC and therefore constitute a robust and help fast method for authentication of GLEOCA and should be extended to other essential oils for authentication of geographic origin.
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Grosso</topic><topic>Least-Squares Analysis</topic><topic>Oils, Volatile - analysis</topic><topic>Oils, Volatile - chemistry</topic><topic>Partial least square</topic><topic>Partial least square discriminant analysis</topic><topic>Spectrometric and optical methods</topic><topic>Spectroscopy, Fourier Transform Infrared</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Bombarda, I.</creatorcontrib><creatorcontrib>Dupuy, N.</creatorcontrib><creatorcontrib>Da, J.-P. 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subjects Analytical chemistry
Chemical Sciences
Chemistry
Chemometric
Chromatographic methods and physical methods associated with chromatography
Chromatography, Gas
Essential oil
Exact sciences and technology
Gas chromatographic methods
Gas chromatography
Infrared
Lavandin var. Grosso
Least-Squares Analysis
Oils, Volatile - analysis
Oils, Volatile - chemistry
Partial least square
Partial least square discriminant analysis
Spectrometric and optical methods
Spectroscopy, Fourier Transform Infrared
title Comparative chemometric analyses of geographic origins and compositions of lavandin var. Grosso essential oils by mid infrared spectroscopy and gas chromatography
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