title: Chemotaxonomic study of Chrysobalanus icaco Linnaeus (Chrysobalanaceae) using ultra-high performance liquid chromatography coupled with diode array detection fingerprint in combination with multivariate analysis.
abstract: We investigated a strategy for the chemotaxonomy study of Chrysobalanus icaco Linnaeus (Chrysobalanaceae) based on ultra-high performance liquid chromatography coupled with diode array detection fingerprint in combination with multivariate analysis. Two models using principal component analysis and partial least squares discriminant analysis were developed, and the samples could be successfully classified into two classes: Class 1 (red morphotype) and Class 2 (white and black morphotypes). Furthermore, ultra-high performance liquid chromatography coupled with diode array and electrospray ionization tandem mass spectrometry was used to identify the main compounds responsible for class separation. The partial least squares discriminant analysis model accurately classified the C. icaco samples using an external validation subset with prediction ability of 100% and revealed the existence of two chemotypes. The most important finding obtained in this study is that the three morphotypes distinguished by the mature fruit color (white, red, and black) are not all phytoequivalent to each other.
authors.affiliation: Embrapa Eastern Amazon, Belém, PA, Brazil.|Chemistry Institute, State University of Campinas, Campinas, SP, Brazil.
authors.forename: Nádia Elígia Nunes Pinto
authors.initials: NENP
authors.lastname: Paracampo
authors.affiliation: Herbarium, Royal Botanic Gardens, Kew, Richmond, Surrey, UK.
authors.forename: Ghillean Tolmie
authors.initials: GT
authors.lastname: Prance
authors.affiliation: Chemistry Institute, State University of Campinas, Campinas, SP, Brazil.
authors.forename: Ronei Jesus
authors.initials: RJ
authors.lastname: Poppi
authors.affiliation: Chemistry Institute, State University of Campinas, Campinas, SP, Brazil.
authors.forename: José Alberto Fracassi
authors.identifier: http://orcid.org/0000-0001-9522-6181
authors.initials: JAF
authors.lastname: da Silva
mesh_terms: D002851:Chromatography, High Pressure Liquid; D045469:Chrysobalanaceae / Q000737:chemistry* / Q000145:classification; D005638:Fruit / Q000737:chemistry*; D015999:Multivariate Analysis; D021241:Spectrometry, Mass, Electrospray Ionization
keywords: Chrysobalanus icaco; chemotaxonomy; fingerprint; multivariate analysis; phytoequivalence