Multivariate calibration to determine phorbol esters in seeds of Jatropha curcas l. Using near infrared and ultraviolet spectroscopies

dc.creatorRoque, Jussara V.
dc.creatorDias, Luiz A. S.
dc.creatorTeófilo, Reinaldo F.
dc.date2022-08-08T18:25:31Z
dc.date2022-08-08T18:25:31Z
dc.date2017-08
dc.date.accessioned2023-09-27T22:05:27Z
dc.date.available2023-09-27T22:05:27Z
dc.identifier1678-4790
dc.identifierhttp://dx.doi.org/10.21577/0103-5053.20160332
dc.identifierhttps://locus.ufv.br//handle/123456789/29583
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/8970542
dc.descriptionLink não abre. Favor verificar.
dc.descriptionThe building of partial least squares (PLS) regression models using near infrared (NIR) and ultraviolet (UV) spectroscopies to estimate the concentrations of phorbol esters (PEs) in Jatropha curcas L. is presented. The models were built using two algorithms for variable selection, ordered predictors selection (OPS) and genetic algorithm (GA). Chromatographic analyses were performed to determine the concentrations of PEs. Spectral data were obtained from seeds and oil extract. The results of PLS models were performed by analyzing statistical parameters of quality such as root mean square error of prediction (RMSEP) and correlation coefficient of external predictions (Rp). The parameters obtained for NIR-PLS and UV-PLS models with OPS were respectively: RMSEP 0.48 and 0.22 mg g-1 and Rp 0.49 and 0.96. For GA were obtained, respectively: RMSEP 0.52 and 0.28 mg g-1 and Rp 0.12 and 0.95. The models built from seeds and oil extracts can be used respectively for screening and to accurately predict the PEs content. The OPS method provided simpler and more predictive models compared to those obtained by the selection of variables using the GA. Thus, the UV-PLS-OPS model can be used as an alternative method to quantification of PEs.
dc.formatpdf
dc.formatapplication/pdf
dc.languageeng
dc.publisherJournal of the Brazilian Chemical Society
dc.relationv. 28, n. 08, p. 1506-1516, ago. 2017
dc.rightsOpen Access
dc.subjectPhorbol esters
dc.subjectJatropha curcas L.
dc.subjectMultivariate calibration
dc.subjectNear infrared
dc.subjectUltraviolet spectroscopy
dc.titleMultivariate calibration to determine phorbol esters in seeds of Jatropha curcas l. Using near infrared and ultraviolet spectroscopies
dc.typeArtigo


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