Partial least squares model and design of experiments toward the analysis of the metabolome of Jatropha gossypifolia leaves: Extraction and chromatographic fingerprint optimization

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dc.contributor.authorPilon, Alan Cesar [UNESP]
dc.contributor.authorCarnevale Neto, Fausto [UNESP]
dc.contributor.authorFreire, Rafael Teixeira [UNESP]
dc.contributor.authorCardoso, Patrícia [UNESP]
dc.contributor.authorCarneiro, Renato Lajarim
dc.contributor.authorDa Silva Bolzani, Vanderlan [UNESP]
dc.contributor.authorCastro-Gamboa, Ian [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.date.accessioned2018-12-11T17:01:27Z
dc.date.available2018-12-11T17:01:27Z
dc.date.issued2016-03-01
dc.description.abstractA major challenge in metabolomic studies is how to extract and analyze an entire metabolome. So far, no single method was able to clearly complete this task in an efficient and reproducible way. In this work we proposed a sequential strategy for the extraction and chromatographic separation of metabolites from leaves Jatropha gossypifolia using a design of experiments and partial least square model. The effect of 14 different solvents on extraction process was evaluated and an optimized separation condition on liquid chromatography was estimated considering mobile phase composition and analysis time. The initial conditions of extraction using methanol and separation in 30 min between 5 and 100% water/methanol (1:1 v/v) with 0.1% of acetic acid, 20 μL sample volume, 3.0 mL min-1 flow rate and 25°C column temperature led to 107 chromatographic peaks. After the optimization strategy using i-propanol/chloroform (1:1 v/v) for extraction, linear gradient elution of 60 min between 5 and 100% water/(acetonitrile/methanol 68:32 v/v with 0.1% of acetic acid), 30 μL sample volume, 2.0 mL min-1 flow rate, and 30°C column temperature, we detected 140 chromatographic peaks, 30.84% more peaks compared to initial method. This is a reliable strategy using a limited number of experiments for metabolomics protocols.en
dc.description.affiliationNucleus of Bioassays Biosynthesis and Ecophysiology of Natural Products - NuBBE São Paulo State University UNESP Chemistry Institute Department of Organic Chemistry, Rua Prof. Francisco Degni number 55 - CP 355
dc.description.affiliationSão Carlos Federal University UFSCar CCET Department of Chemistry Rodovia Washington Luiz
dc.description.affiliationUnespNucleus of Bioassays Biosynthesis and Ecophysiology of Natural Products - NuBBE São Paulo State University UNESP Chemistry Institute Department of Organic Chemistry, Rua Prof. Francisco Degni number 55 - CP 355
dc.format.extent1023-1030
dc.identifierhttp://dx.doi.org/10.1002/jssc.201500892
dc.identifier.citationJournal of Separation Science, v. 39, n. 6, p. 1023-1030, 2016.
dc.identifier.doi10.1002/jssc.201500892
dc.identifier.issn1615-9314
dc.identifier.issn1615-9306
dc.identifier.scopus2-s2.0-84959440219
dc.identifier.urihttp://hdl.handle.net/11449/172615
dc.language.isoeng
dc.relation.ispartofJournal of Separation Science
dc.relation.ispartofsjr0,795
dc.relation.ispartofsjr0,795
dc.rights.accessRightsAcesso restrito
dc.sourceScopus
dc.subjectChromatographic fingerprint
dc.subjectDesign of experiments
dc.subjectExtraction
dc.subjectJatropha gossypifolia
dc.subjectMetabolomics
dc.titlePartial least squares model and design of experiments toward the analysis of the metabolome of Jatropha gossypifolia leaves: Extraction and chromatographic fingerprint optimizationen
dc.typeArtigo

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