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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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. |
doi_str_mv | 10.1016/j.aca.2008.02.038 |
format | Article |
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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.</description><identifier>ISSN: 0003-2670</identifier><identifier>EISSN: 1873-4324</identifier><identifier>DOI: 10.1016/j.aca.2008.02.038</identifier><identifier>PMID: 18374699</identifier><identifier>CODEN: ACACAM</identifier><language>eng</language><publisher>Amsterdam: Elsevier B.V</publisher><subject>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</subject><ispartof>Analytica chimica acta, 2008-04, Vol.613 (1), p.31-39</ispartof><rights>2008 Elsevier B.V.</rights><rights>2008 INIST-CNRS</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c446t-d07dfd5ed93f7323c1ff3a16d04b357a98b953c23fc315c1e9a02f95d03a93d3</citedby><cites>FETCH-LOGICAL-c446t-d07dfd5ed93f7323c1ff3a16d04b357a98b953c23fc315c1e9a02f95d03a93d3</cites><orcidid>0000-0002-4669-4605 ; 0000-0002-8739-2689</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0003267008003498$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>230,314,776,780,881,3537,27901,27902,65306</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=20258009$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/18374699$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://hal.science/hal-01493417$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Bombarda, I.</creatorcontrib><creatorcontrib>Dupuy, N.</creatorcontrib><creatorcontrib>Da, J.-P. Le Van</creatorcontrib><creatorcontrib>Gaydou, E.M.</creatorcontrib><title>Comparative chemometric analyses of geographic origins and compositions of lavandin var. Grosso essential oils by mid infrared spectroscopy and gas chromatography</title><title>Analytica chimica acta</title><addtitle>Anal Chim Acta</addtitle><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.</description><subject>Analytical chemistry</subject><subject>Chemical Sciences</subject><subject>Chemistry</subject><subject>Chemometric</subject><subject>Chromatographic methods and physical methods associated with chromatography</subject><subject>Chromatography, Gas</subject><subject>Essential oil</subject><subject>Exact sciences and technology</subject><subject>Gas chromatographic methods</subject><subject>Gas chromatography</subject><subject>Infrared</subject><subject>Lavandin var. Grosso</subject><subject>Least-Squares Analysis</subject><subject>Oils, Volatile - analysis</subject><subject>Oils, Volatile - chemistry</subject><subject>Partial least square</subject><subject>Partial least square discriminant analysis</subject><subject>Spectrometric and optical methods</subject><subject>Spectroscopy, Fourier Transform Infrared</subject><issn>0003-2670</issn><issn>1873-4324</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2008</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkc2O0zAUhSMEYsrAA7BB3oDEIuHaN79iNapgBqkSm9lbt7bTukriYKeV8jo8Kc6kGnawsnz83eOje5LkPYeMAy-_nDJSlAmAOgORAdYvkg2vK0xzFPnLZAMAmIqygpvkTQineBUc8tfJDa-xysum2SS_t64fydNkL4apo-ldbyZvFaOBujmYwFzLDsYdPI3HKDtvD3YI8VkzFUddsJN1wxPW0SXKdmAX8hm79y4Ex0wIZpgsdczZLrD9zHqrmR1aT95oFkajpkgqN85PpgcKMYd3PU3rp_Pb5FVLXTDvrudt8vj92-P2Id39vP-xvdulKs_LKdVQ6VYXRjfYVihQ8bZF4qWGfI9FRU29bwpUAluFvFDcNASibQoNSA1qvE0-r7ZH6uTobU9-lo6sfLjbyUUDnjeY8-rCI_tpZUfvfp1NmGRvgzJdR4Nx5yAryLFE_D-Ioqo48gXkK6iWtXnTPkfgIJey5UnGsuVStgQhY9lx5sPV_Lzvjf47cW03Ah-vAAVFXVz5oGx45gSIogZYuK8rZ-J6L9Z4GZQ1gzLa-liP1M7-I8Yfj9_KPw</recordid><startdate>20080414</startdate><enddate>20080414</enddate><creator>Bombarda, I.</creator><creator>Dupuy, N.</creator><creator>Da, J.-P. Le Van</creator><creator>Gaydou, E.M.</creator><general>Elsevier B.V</general><general>Elsevier</general><general>Elsevier Masson</general><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope><scope>7X8</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0002-4669-4605</orcidid><orcidid>https://orcid.org/0000-0002-8739-2689</orcidid></search><sort><creationdate>20080414</creationdate><title>Comparative chemometric analyses of geographic origins and compositions of lavandin var. Grosso essential oils by mid infrared spectroscopy and gas chromatography</title><author>Bombarda, I. ; Dupuy, N. ; Da, J.-P. Le Van ; Gaydou, E.M.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c446t-d07dfd5ed93f7323c1ff3a16d04b357a98b953c23fc315c1e9a02f95d03a93d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2008</creationdate><topic>Analytical chemistry</topic><topic>Chemical Sciences</topic><topic>Chemistry</topic><topic>Chemometric</topic><topic>Chromatographic methods and physical methods associated with chromatography</topic><topic>Chromatography, Gas</topic><topic>Essential oil</topic><topic>Exact sciences and technology</topic><topic>Gas chromatographic methods</topic><topic>Gas chromatography</topic><topic>Infrared</topic><topic>Lavandin var. 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. Le Van</creatorcontrib><creatorcontrib>Gaydou, E.M.</creatorcontrib><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Analytica chimica acta</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Bombarda, I.</au><au>Dupuy, N.</au><au>Da, J.-P. Le Van</au><au>Gaydou, E.M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Comparative chemometric analyses of geographic origins and compositions of lavandin var. Grosso essential oils by mid infrared spectroscopy and gas chromatography</atitle><jtitle>Analytica chimica acta</jtitle><addtitle>Anal Chim Acta</addtitle><date>2008-04-14</date><risdate>2008</risdate><volume>613</volume><issue>1</issue><spage>31</spage><epage>39</epage><pages>31-39</pages><issn>0003-2670</issn><eissn>1873-4324</eissn><coden>ACACAM</coden><abstract>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.</abstract><cop>Amsterdam</cop><pub>Elsevier B.V</pub><pmid>18374699</pmid><doi>10.1016/j.aca.2008.02.038</doi><tpages>9</tpages><orcidid>https://orcid.org/0000-0002-4669-4605</orcidid><orcidid>https://orcid.org/0000-0002-8739-2689</orcidid></addata></record> |
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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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