Author(s): Emerenciano, Vicente P. ; Cabrol-Bass, D. ; Ferreira, Marcelo J. P. ; Alvarenga, Sandra A.V. [UNESP] ; Brant, Antonio J. C. ; Scotti, Marcus T. ; Barbosa, Karina O.
Date: 2022
Persistent ID: http://hdl.handle.net/11449/219478
Origin: Oasisbr
Subject(s): Asteraceae; Chemical evolution; Coumarins; Flavonoids; Oxidation number; Oxidative steps; Partial least squares regression; Polyacetylenes; Terpenoids
Made available in DSpace on 2022-04-28T18:55:47Z (GMT). No. of bitstreams: 0 Previous issue date: 2006-01-01
This work describes the application of partial least squares (PLS) regression to variables that represent the oxidation data of several types of secondary metabolite isolated from the family Asteraceae. The oxidation states were calculated for each carbon atom of the involved compounds after these had been matched with their biogenetic precursor. The states of oxidation variations were named oxidation steps. This methodology represents a new approach to inspect the oxidative changes in taxa. Partial least square (PLS) regression was used to inspect the relationships among terpenoids, coumarins, polyacetylenes, and flavonoids from a data base containing approximately 27,000 botanical entries. The results show an interdependence between the average oxidation states of each class of secondary metabolite at tribe and sub tribe levels.
Instituto de Química Universidade de São Paulo, Caixa Postal 26077, 05513-970, São Paulo
Laboratoire Arômes Synthèses Interactions Faculté des Sciences Université de Nice - Sophia-Antipolis, 06108, Nice
Faculdade de Engenharia de Guaratinguetá UNESP, CEP 12516-410, Guaratinguetá, São Paulo
Faculdade de Engenharia de Guaratinguetá UNESP, CEP 12516-410, Guaratinguetá, São Paulo
