Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal

Detalhes bibliográficos
Autor(a) principal: Trópia, Nathália Veloso
Data de Publicação: 2023
Outros Autores: Silva, Flávia Adriane de Sales, Andrade, Dhones Rodrigues, Cidrini, Fernando Alerrandro Andrade, Ebani, Yuri Cesconetto, Matos, Éllem Maria de Almeida, Borges, Karen Melo, Roque, Jussara Valente, Zanetti, Diego, Valadares Filho, Sebastião de Campos
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Semina. Ciências Agrárias (Online)
Texto Completo: https://ojs.uel.br/revistas/uel/index.php/semagrarias/article/view/47010
Resumo: This study aimed to develop and assess regression models for predicting the chemical composition of sugarcane, soybean meal, and cornmeal using portable near-infrared (NIR) spectroscopy combined with chemometric techniques. A total of 95 sugarcane samples, 92 soybean meal samples, and 120 cornmeal samples were used. The samples were ground, and NIR spectra were obtained for each sample. Reference values were determined through conventional chemical analysis. Partial least squares regression and leave-one-out cross-validation were employed to construct the models. Models with the lowest root mean squared error in cross-validation were further validated externally. The goodness-of-fit of the models was evaluated by comparing the predicted values with those obtained through conventional laboratory methods. The constructed models properly estimated all constituents evaluated for sugarcane, soybean meal, and cornmeal (P ≥ 0.056). The models developed for predicting the contents of samples oven-dried at 55 °C (ADS) and 105 °C (ODS), total dry matter (DM), organic matter (OM), neutral detergent fiber (NDF), NDF corrected for ash and protein (NDFap), neutral detergent insoluble protein (NDIP), acid detergent fiber (ADF), crude protein (CP), non-fiber carbohydrates (NFC), and total digestible nutrients (TDN) in sugarcane; ODS, OM, NDF, ADF, indigestible NDF (iNDF), CP, TDN, and starch in soybean meal; and ODS and CP in cornmeal exhibited high accuracy and precision (R2 ≥ 0.50 and CCC ≥ 0.60). However, the models developed for predicting the levels of neutral detergent insoluble ash (NDIA) in sugarcane; ether extract (EE) and NDIA in soybean meal; and NDF, iNDF, NDIA, NFC, and EE in cornmeal demonstrated accuracy but lacked precision (R2 ≥ -0.04 and CCC ≥ 0.03). In conclusion, the portable NIR regression models provided accurate estimates and are therefore recommended for predicting the chemical composition of sugarcane, soybean meal, and cornmeal.
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spelling Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmealConstrução e validação de modelos de regressão a partir de espectros NIR para predição da composição da cana-de-açúcar, farelo de soja e fubá de milhoChemometricsPartial least squares regressionSpectroscopy. EspectroscopiaQuimiometriaRegressão por mínimos quadrados parciais.This study aimed to develop and assess regression models for predicting the chemical composition of sugarcane, soybean meal, and cornmeal using portable near-infrared (NIR) spectroscopy combined with chemometric techniques. A total of 95 sugarcane samples, 92 soybean meal samples, and 120 cornmeal samples were used. The samples were ground, and NIR spectra were obtained for each sample. Reference values were determined through conventional chemical analysis. Partial least squares regression and leave-one-out cross-validation were employed to construct the models. Models with the lowest root mean squared error in cross-validation were further validated externally. The goodness-of-fit of the models was evaluated by comparing the predicted values with those obtained through conventional laboratory methods. The constructed models properly estimated all constituents evaluated for sugarcane, soybean meal, and cornmeal (P ≥ 0.056). The models developed for predicting the contents of samples oven-dried at 55 °C (ADS) and 105 °C (ODS), total dry matter (DM), organic matter (OM), neutral detergent fiber (NDF), NDF corrected for ash and protein (NDFap), neutral detergent insoluble protein (NDIP), acid detergent fiber (ADF), crude protein (CP), non-fiber carbohydrates (NFC), and total digestible nutrients (TDN) in sugarcane; ODS, OM, NDF, ADF, indigestible NDF (iNDF), CP, TDN, and starch in soybean meal; and ODS and CP in cornmeal exhibited high accuracy and precision (R2 ≥ 0.50 and CCC ≥ 0.60). However, the models developed for predicting the levels of neutral detergent insoluble ash (NDIA) in sugarcane; ether extract (EE) and NDIA in soybean meal; and NDF, iNDF, NDIA, NFC, and EE in cornmeal demonstrated accuracy but lacked precision (R2 ≥ -0.04 and CCC ≥ 0.03). In conclusion, the portable NIR regression models provided accurate estimates and are therefore recommended for predicting the chemical composition of sugarcane, soybean meal, and cornmeal.Objetivou-se desenvolver e avaliar modelos de regressão para a predição da composição química da cana-de-açúcar, farelo de soja e fubá de milho por NIR portátil aliado a técnicas quimiométricas. Foram utilizadas 95 amostras de cana-de-açúcar, 92 amostras de farelo de soja e 120 amostras de fubá de milho. Após a moagem das amostras, foi realizada aquisição dos espectros de cada amostra. Os valores referência foram obtidos através de análises químicas convencionais. Para construção dos modelos, foi utilizada a regressão por quadrados mínimos parciais e a validação cruzada leave one out. Os modelos com menor raiz quadrada do erro quadrático médio da validação cruzada foram submetidos a validação externa. Para avaliar a qualidade de ajuste dos modelos, os valores preditos foram comparados com os valores obtidos pelos métodos laboratoriais convencionais. Os modelos construídos estimaram corretamente todos os constituintes avaliados para a cana-de-açúcar, farelo de soja e fubá de milho (P ≥ 0,056). Os modelos construídos para predição dos teores de amostra seca em estufa a 55°C (ASA) e a 105°C (ASE), matéria seca total (MS), matéria orgânica (MO), fibra insolúvel em detergente neutro (FDN), FDN corrigida para cinzas e proteína (FDNcp), proteína insolúvel em detergente neutro (PIDN), fibra insolúvel em detergente ácido (FDA), proteína bruta (PB), carboidratos não fibrosos (CNF) e nutrientes digestíveis totais (NDT) da cana-de-açúcar; ASE, MO, FDN, FDA, FDN indigestível (FDNi), PB, NDT e amido de farelo de soja; e ASE, PB do fubá de milho apresentaram elevada acurácia e precisão (R2 ≥ 0,50 e CCC ≥ 0,60). Contudo os modelos construídos para predição dos teores de cinzas insolúveis em detergente neutro (CIDN) da cana-de-açúcar; extrato etéreo (EE) e CIDN do farelo de soja; e FDN, FDNi, CIDN, CNF e EE do fubá de milho foram acurados, porém pouco precisos (R2 ≥ -0,04 e CCC ≥ 0,03). Conclui-se que os modelos de regressão por NIR portátil estimaram acuradamente e, portanto, são recomendados para estimar a composição química da cana-de-açúcar, farelo de soja e fubá de milho.UEL2023-06-26info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://ojs.uel.br/revistas/uel/index.php/semagrarias/article/view/4701010.5433/1679-0359.2023v44n2p859Semina: Ciências Agrárias; Vol. 44 No. 2 (2023); 859-880Semina: Ciências Agrárias; v. 44 n. 2 (2023); 859-8801679-03591676-546Xreponame:Semina. Ciências Agrárias (Online)instname:Universidade Estadual de Londrina (UEL)instacron:UELenghttps://ojs.uel.br/revistas/uel/index.php/semagrarias/article/view/47010/48996Copyright (c) 2023 Semina: Ciências Agráriashttp://creativecommons.org/licenses/by-nc/4.0info:eu-repo/semantics/openAccessTrópia, Nathália Veloso Silva, Flávia Adriane de SalesAndrade, Dhones Rodrigues Cidrini, Fernando Alerrandro AndradeEbani, Yuri CesconettoMatos, Éllem Maria de AlmeidaBorges, Karen Melo Roque, Jussara ValenteZanetti, Diego Valadares Filho, Sebastião de Campos2023-07-04T19:57:35Zoai:ojs.pkp.sfu.ca:article/47010Revistahttp://www.uel.br/revistas/uel/index.php/semagrariasPUBhttps://ojs.uel.br/revistas/uel/index.php/semagrarias/oaisemina.agrarias@uel.br1679-03591676-546Xopendoar:2023-07-04T19:57:35Semina. Ciências Agrárias (Online) - Universidade Estadual de Londrina (UEL)false
dc.title.none.fl_str_mv Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal
Construção e validação de modelos de regressão a partir de espectros NIR para predição da composição da cana-de-açúcar, farelo de soja e fubá de milho
title Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal
spellingShingle Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal
Trópia, Nathália Veloso
Chemometrics
Partial least squares regression
Spectroscopy.
Espectroscopia
Quimiometria
Regressão por mínimos quadrados parciais.
title_short Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal
title_full Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal
title_fullStr Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal
title_full_unstemmed Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal
title_sort Development and validation of regression models from NIR spectra to predict the composition of sugarcane, soybean meal, and cornmeal
author Trópia, Nathália Veloso
author_facet Trópia, Nathália Veloso
Silva, Flávia Adriane de Sales
Andrade, Dhones Rodrigues
Cidrini, Fernando Alerrandro Andrade
Ebani, Yuri Cesconetto
Matos, Éllem Maria de Almeida
Borges, Karen Melo
Roque, Jussara Valente
Zanetti, Diego
Valadares Filho, Sebastião de Campos
author_role author
author2 Silva, Flávia Adriane de Sales
Andrade, Dhones Rodrigues
Cidrini, Fernando Alerrandro Andrade
Ebani, Yuri Cesconetto
Matos, Éllem Maria de Almeida
Borges, Karen Melo
Roque, Jussara Valente
Zanetti, Diego
Valadares Filho, Sebastião de Campos
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.author.fl_str_mv Trópia, Nathália Veloso
Silva, Flávia Adriane de Sales
Andrade, Dhones Rodrigues
Cidrini, Fernando Alerrandro Andrade
Ebani, Yuri Cesconetto
Matos, Éllem Maria de Almeida
Borges, Karen Melo
Roque, Jussara Valente
Zanetti, Diego
Valadares Filho, Sebastião de Campos
dc.subject.por.fl_str_mv Chemometrics
Partial least squares regression
Spectroscopy.
Espectroscopia
Quimiometria
Regressão por mínimos quadrados parciais.
topic Chemometrics
Partial least squares regression
Spectroscopy.
Espectroscopia
Quimiometria
Regressão por mínimos quadrados parciais.
description This study aimed to develop and assess regression models for predicting the chemical composition of sugarcane, soybean meal, and cornmeal using portable near-infrared (NIR) spectroscopy combined with chemometric techniques. A total of 95 sugarcane samples, 92 soybean meal samples, and 120 cornmeal samples were used. The samples were ground, and NIR spectra were obtained for each sample. Reference values were determined through conventional chemical analysis. Partial least squares regression and leave-one-out cross-validation were employed to construct the models. Models with the lowest root mean squared error in cross-validation were further validated externally. The goodness-of-fit of the models was evaluated by comparing the predicted values with those obtained through conventional laboratory methods. The constructed models properly estimated all constituents evaluated for sugarcane, soybean meal, and cornmeal (P ≥ 0.056). The models developed for predicting the contents of samples oven-dried at 55 °C (ADS) and 105 °C (ODS), total dry matter (DM), organic matter (OM), neutral detergent fiber (NDF), NDF corrected for ash and protein (NDFap), neutral detergent insoluble protein (NDIP), acid detergent fiber (ADF), crude protein (CP), non-fiber carbohydrates (NFC), and total digestible nutrients (TDN) in sugarcane; ODS, OM, NDF, ADF, indigestible NDF (iNDF), CP, TDN, and starch in soybean meal; and ODS and CP in cornmeal exhibited high accuracy and precision (R2 ≥ 0.50 and CCC ≥ 0.60). However, the models developed for predicting the levels of neutral detergent insoluble ash (NDIA) in sugarcane; ether extract (EE) and NDIA in soybean meal; and NDF, iNDF, NDIA, NFC, and EE in cornmeal demonstrated accuracy but lacked precision (R2 ≥ -0.04 and CCC ≥ 0.03). In conclusion, the portable NIR regression models provided accurate estimates and are therefore recommended for predicting the chemical composition of sugarcane, soybean meal, and cornmeal.
publishDate 2023
dc.date.none.fl_str_mv 2023-06-26
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://ojs.uel.br/revistas/uel/index.php/semagrarias/article/view/47010
10.5433/1679-0359.2023v44n2p859
url https://ojs.uel.br/revistas/uel/index.php/semagrarias/article/view/47010
identifier_str_mv 10.5433/1679-0359.2023v44n2p859
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv https://ojs.uel.br/revistas/uel/index.php/semagrarias/article/view/47010/48996
dc.rights.driver.fl_str_mv Copyright (c) 2023 Semina: Ciências Agrárias
http://creativecommons.org/licenses/by-nc/4.0
info:eu-repo/semantics/openAccess
rights_invalid_str_mv Copyright (c) 2023 Semina: Ciências Agrárias
http://creativecommons.org/licenses/by-nc/4.0
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv UEL
publisher.none.fl_str_mv UEL
dc.source.none.fl_str_mv Semina: Ciências Agrárias; Vol. 44 No. 2 (2023); 859-880
Semina: Ciências Agrárias; v. 44 n. 2 (2023); 859-880
1679-0359
1676-546X
reponame:Semina. Ciências Agrárias (Online)
instname:Universidade Estadual de Londrina (UEL)
instacron:UEL
instname_str Universidade Estadual de Londrina (UEL)
instacron_str UEL
institution UEL
reponame_str Semina. Ciências Agrárias (Online)
collection Semina. Ciências Agrárias (Online)
repository.name.fl_str_mv Semina. Ciências Agrárias (Online) - Universidade Estadual de Londrina (UEL)
repository.mail.fl_str_mv semina.agrarias@uel.br
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