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Optimization and classification of natural products by chemometric method. Analysis of gas chromatographic data of essential oils of Indonesia Myristica fragans Houtt

Authors :
Nathalie Dupuy
Magalie Claeys-Bruno
Jacky Kister
Josiane Molinet
M Sergent
Systèmes Chimiques Complexes - Formulation - Qualité - Environnement (SCCFQE)
Université de la Méditerranée - Aix-Marseille 2-Université Paul Cézanne - Aix-Marseille 3-Université de Provence - Aix-Marseille 1-Avignon Université (AU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS)
Laboratoire d'Instrumentation et Sciences Analytiques (LISA)
Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS)
Institut méditerranéen de biodiversité et d'écologie marine et continentale (IMBE)
Avignon Université (AU)-Aix Marseille Université (AMU)-Institut de recherche pour le développement [IRD] : UMR237-Centre National de la Recherche Scientifique (CNRS)
Centre National de la Recherche Scientifique (CNRS)-Université Paul Cézanne - Aix-Marseille 3-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Avignon Université (AU)-Université de Provence - Aix-Marseille 1-Université de la Méditerranée - Aix-Marseille 2
Centre National de la Recherche Scientifique (CNRS)-Institut de recherche pour le développement [IRD] : UMR237-Aix Marseille Université (AMU)-Avignon Université (AU)
Source :
Planta Medica, 9th Joint Meeting of AFERP, ASP, GA, JSP, PSE & SIF, 9th Joint Meeting of AFERP, ASP, GA, JSP, PSE & SIF, Jul 2016, Copenhagen, Denmark. pp.S1-S381, ⟨10.1055/s-0036-1596268⟩
Publication Year :
2016
Publisher :
Georg Thieme Verlag KG, 2016.

Abstract

International audience; Essential oils (EO) of nutmeg (Myristica fragan Houtt) have a different chemical composition according to their origin. So it is important that laboratories of quality control have a fast and effective method of analysis to prevent frauds and adulteration. The analytical method generally employed [1], is time consuming and two pairs of compounds were not resolved (sabinene/β-pinene, p-cimene/limonene). In order to optimize the GC separation, while reducing the analysis time, we have identified the influential analytical factors among 11 by using a screening of factors: 5 factors are influent. After, we studied the interactions between these 5 factors by using a fractional factorial experiment matrix 2 5 – 1 in 16 experiments [2] and by considering the interactions effect of first order b ij. This optimization allowed to reduce analysis time (20 min instead of 55 min) and to improve the separation between the unresolved compounds (Resolution > 1.5). This method was applied to differentiate EO from ripe nutmeg and those from maces: a chemometric treatment (PCA) of GC data was carried out. The repartition of samples in a 3D score plot (PC1; PC2; PC4 explained variance 81%) show two groups: the maces and the ripe nutmeg. The study of loading associated to these compounds showed that the EO of maces are different on the basis of their content of phenylpropenic compounds (eugenol, myristicin, safrol...) while the EO of ripe nutmegs is characterized by the content of terpenic compounds (α and γ-terpinene, sabinene, α and β-pinene...). However, an overlap of the different classes exists. So the supervised classification method SIMCA [3] was used. Four samples of each origin were used to build the disjoint PCA and three from the same origin to test the models: all the samples are well classified. This study allowed to reduce analysis time and to improve the separation between all the compounds, and to differentiate EO from their origin: this method can be used as quality control.

Details

ISSN :
14390221 and 00320943
Volume :
81
Database :
OpenAIRE
Journal :
Planta Medica
Accession number :
edsair.doi.dedup.....0fbde9b79e2169705e36f153f4c6c200
Full Text :
https://doi.org/10.1055/s-0036-1596268