Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy

Detalhes bibliográficos
Autor(a) principal: Valderrama,Patrícia
Data de Publicação: 2007
Outros Autores: Braga,Jez W. B., Poppi,Ronei J.
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Journal of the Brazilian Chemical Society (Online)
Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532007000200003
Resumo: The determination of soluble solids (BRIX), polarizable sugars (POL) and reducing sugars (RS) sugar cane juice by using near infrared spectroscopy (NIR) and multivariate calibration was developed and validated by calculation of figures of merit. Due to the heterogeneity of the samples, first it was necessary to optimize the calibration set by outlier elimination. The figures of merit such as: sensitivity, analytical sensitivity, selectivity, confidence limit, precision (mean, repeatability), accuracy and signal-to-noise ratio were calculated. Feasible results were obtained for BRIX and POL with RMSEP values of 0.28 and 0.42% of juice and precision of 0.02 and 0.08% of juice, respectively. For both BRIX and POL goodness of fit showed correlation coefficients of 0.99. These results indicate that the models developed for BRIX and POL can be used as an alternative to standard procedures in the sugar cane industry.
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spelling Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopysugar canemultivariate calibrationnet analyte signalfigures of meritThe determination of soluble solids (BRIX), polarizable sugars (POL) and reducing sugars (RS) sugar cane juice by using near infrared spectroscopy (NIR) and multivariate calibration was developed and validated by calculation of figures of merit. Due to the heterogeneity of the samples, first it was necessary to optimize the calibration set by outlier elimination. The figures of merit such as: sensitivity, analytical sensitivity, selectivity, confidence limit, precision (mean, repeatability), accuracy and signal-to-noise ratio were calculated. Feasible results were obtained for BRIX and POL with RMSEP values of 0.28 and 0.42% of juice and precision of 0.02 and 0.08% of juice, respectively. For both BRIX and POL goodness of fit showed correlation coefficients of 0.99. These results indicate that the models developed for BRIX and POL can be used as an alternative to standard procedures in the sugar cane industry.Sociedade Brasileira de Química2007-04-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532007000200003Journal of the Brazilian Chemical Society v.18 n.2 2007reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.1590/S0103-50532007000200003info:eu-repo/semantics/openAccessValderrama,PatríciaBraga,Jez W. B.Poppi,Ronei J.eng2007-06-13T00:00:00Zoai:scielo:S0103-50532007000200003Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2007-06-13T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false
dc.title.none.fl_str_mv Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
title Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
spellingShingle Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
Valderrama,Patrícia
sugar cane
multivariate calibration
net analyte signal
figures of merit
title_short Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
title_full Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
title_fullStr Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
title_full_unstemmed Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
title_sort Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
author Valderrama,Patrícia
author_facet Valderrama,Patrícia
Braga,Jez W. B.
Poppi,Ronei J.
author_role author
author2 Braga,Jez W. B.
Poppi,Ronei J.
author2_role author
author
dc.contributor.author.fl_str_mv Valderrama,Patrícia
Braga,Jez W. B.
Poppi,Ronei J.
dc.subject.por.fl_str_mv sugar cane
multivariate calibration
net analyte signal
figures of merit
topic sugar cane
multivariate calibration
net analyte signal
figures of merit
description The determination of soluble solids (BRIX), polarizable sugars (POL) and reducing sugars (RS) sugar cane juice by using near infrared spectroscopy (NIR) and multivariate calibration was developed and validated by calculation of figures of merit. Due to the heterogeneity of the samples, first it was necessary to optimize the calibration set by outlier elimination. The figures of merit such as: sensitivity, analytical sensitivity, selectivity, confidence limit, precision (mean, repeatability), accuracy and signal-to-noise ratio were calculated. Feasible results were obtained for BRIX and POL with RMSEP values of 0.28 and 0.42% of juice and precision of 0.02 and 0.08% of juice, respectively. For both BRIX and POL goodness of fit showed correlation coefficients of 0.99. These results indicate that the models developed for BRIX and POL can be used as an alternative to standard procedures in the sugar cane industry.
publishDate 2007
dc.date.none.fl_str_mv 2007-04-01
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532007000200003
url http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532007000200003
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 10.1590/S0103-50532007000200003
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv text/html
dc.publisher.none.fl_str_mv Sociedade Brasileira de Química
publisher.none.fl_str_mv Sociedade Brasileira de Química
dc.source.none.fl_str_mv Journal of the Brazilian Chemical Society v.18 n.2 2007
reponame:Journal of the Brazilian Chemical Society (Online)
instname:Sociedade Brasileira de Química (SBQ)
instacron:SBQ
instname_str Sociedade Brasileira de Química (SBQ)
instacron_str SBQ
institution SBQ
reponame_str Journal of the Brazilian Chemical Society (Online)
collection Journal of the Brazilian Chemical Society (Online)
repository.name.fl_str_mv Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)
repository.mail.fl_str_mv ||office@jbcs.sbq.org.br
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