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Applicability of NMR in combination with chemometrics for the characterization and differentiation of oil-resin extracted from Copaifera langsdorffii and Copaifera spp.

2023; Elsevier BV; Volume: 197; Linguagem: Inglês

10.1016/j.microc.2023.109850

1095-9149

Fernanda Lopes de Mesquita Vieira, Luiz Eduardo Celino Benedito, Alessandro Cézar de Oliveira Moreira, Jez William Batista Braga, Aline Oliveira,

Plant Toxicity and Pharmacological Properties

Copaiba oil-resin is a natural product widely used in popular medicine and as raw material for pharmaceutical and cosmetic industry. Differences between species or extraction sites can cause changes in the product composition, which highlights the importance of its quality control regarding purity and identification of the Copaifera species from which the oil-resin was extracted. Thus, this work proposes to use the NMR technique associated with chemometric to differentiate and characterize samples of copaiba oil-resin obtained from different species and regions of Brazil. For this, 1H and 13C NMR spectra of 26 samples of copaiba oil-resin were acquired and submitted to chemometric analysis, which allows the recognition of patterns between the samples, as well as indicate the main variables responsible for the clustering. Based on these results, two-dimensional NMR experiments were carried out to identify the structure of the molecules that can be used as chemical markers to differentiate the oil-resin extracted from the Copaifera langsdorffii from other Copaifera species (Copaifera spp.). The structural elucidation of three terpenes (hardwickic acid, caryophyllene oxide, and kaurenoic acid) was successfully achieved, thus showing a decisive role in distinguishing the Copaifera langsdorffii samples.