Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo

Detalhes bibliográficos
Ano de defesa: 2021
Autor(a) principal: Tyska, Denize lattes
Orientador(a): Mallmann, Carlos Augusto lattes
Banca de defesa: Almeida, Carlos Alberto Araujo de, Nascimento, Paulo Cícero do, Krabbe, Everton Luis, Sá, Luciano Moraes
Tipo de documento: Tese
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Federal de Santa Maria
Centro de Ciências Rurais
Programa de Pós-Graduação: Programa de Pós-Graduação em Medicina Veterinária
Departamento: Medicina Veterinária
País: Brasil
Palavras-chave em Português:
Palavras-chave em Inglês:
Área do conhecimento CNPq:
Link de acesso: http://repositorio.ufsm.br/handle/1/23198
Resumo: Cereal grain quality can be altered by the presence of fungi, which may produce mycotoxins that have the potential to cause harm to human and animal health. It is thus essential to monitor the levels of such substances in products intended for consumption. Despite being efficient, current analytical methodologies are time consuming and require the use of varied reagents and instruments, so the Industry demands the development of fast and reliable methods to expedite decision making. In this setting, the present work employs near infrared reflectance spectroscopy (NIRS) in association with chemometric methods for quantification and classification to build multivariate models for predicting mycotoxins. Four studies were performed in the following matrices: corn; corn distiller’s dried grains with solubles (DDGS); and wheat flour. The analyzed mycotoxins were aflatoxin B1 (AFB1), fumonisin B1 (FB1) + fumonisin B2 (FB2) (total fumonisins, FBs), deoxynivalenol (DON) and zearalenone (ZEA). Spectral data were processed through partial least squares and the number of principal components of the models was determined by cross-validation. Liquid chromatography coupled to tandem mass spectrometry was used as the reference methodology. The first study developed prediction curves for FBs and ZEA in corn. Correlation coefficient (R), determination coefficient and residual prediction deviation (RPD) for FBs and ZEA were, respectively: 0.809 and 0.991; 0.899 and 0.984; and 3.33 and 2.71. The second study assessed mycotoxicological prevalence and chemical composition (water activity, crude protein, ether extract, starch and apparent metabolisable energy in poultry) in 8,854 spectra of corn originating from Argentina, Bolivia, Brazil (stratified per regions), Colombia and Peru in 2020. FBs showed the greatest prevalence in South American as well as in Brazilian samples: 91.6% and 92.6%, respectively. Crude protein ranged from 6.7% in Colombia to 8.4% in Bolivia in relation to the mean (7.4%). The chemical composition of the samples from the Southeast region of Brazil presented the largest positive variability in relation to the means. The third study was conducted in DDGS and elaborated prediction curves for FB1 and FB2. One hundred ninety samples were used to build the models, being 132 for calibration and 58 for external validation. The results of R and RPD for FB1 and FB2 were, respectively: 0.90 and 0.88; and 2.16 and 2.06. The fourth study evaluated DONcontaminated wheat flour samples using partial least-squares discriminant analysis (PLS-DA) and principal components-linear discriminant analysis (PC-LDA). The samples were classified according to the maximum tolerated limit (MTL) for DON in Brazil, 750 μg.kg-¹, and two groups were established for the calibration set: category A (≤ 450 μg kg-¹), non-contaminated or below the MTL; and category B (> 450 μg kg-¹), contaminated or above the MTL. Validation samples analyzed via PLS-DA showed correct classification rates between 85 and 87.5%; for PC-LDA, the hit rate was over 85%. Both methods presented a 10-15% error. The results achieved through these studies evidence the potential of the alternative technology NIRS to be used in the Industry, providing agility to the analytical process of the ingredients. Therefore, decisions can be made assertively and thus ensure food quality and safety.
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spelling 2021-12-09T11:13:44Z2021-12-09T11:13:44Z2021-09-01http://repositorio.ufsm.br/handle/1/23198Cereal grain quality can be altered by the presence of fungi, which may produce mycotoxins that have the potential to cause harm to human and animal health. It is thus essential to monitor the levels of such substances in products intended for consumption. Despite being efficient, current analytical methodologies are time consuming and require the use of varied reagents and instruments, so the Industry demands the development of fast and reliable methods to expedite decision making. In this setting, the present work employs near infrared reflectance spectroscopy (NIRS) in association with chemometric methods for quantification and classification to build multivariate models for predicting mycotoxins. Four studies were performed in the following matrices: corn; corn distiller’s dried grains with solubles (DDGS); and wheat flour. The analyzed mycotoxins were aflatoxin B1 (AFB1), fumonisin B1 (FB1) + fumonisin B2 (FB2) (total fumonisins, FBs), deoxynivalenol (DON) and zearalenone (ZEA). Spectral data were processed through partial least squares and the number of principal components of the models was determined by cross-validation. Liquid chromatography coupled to tandem mass spectrometry was used as the reference methodology. The first study developed prediction curves for FBs and ZEA in corn. Correlation coefficient (R), determination coefficient and residual prediction deviation (RPD) for FBs and ZEA were, respectively: 0.809 and 0.991; 0.899 and 0.984; and 3.33 and 2.71. The second study assessed mycotoxicological prevalence and chemical composition (water activity, crude protein, ether extract, starch and apparent metabolisable energy in poultry) in 8,854 spectra of corn originating from Argentina, Bolivia, Brazil (stratified per regions), Colombia and Peru in 2020. FBs showed the greatest prevalence in South American as well as in Brazilian samples: 91.6% and 92.6%, respectively. Crude protein ranged from 6.7% in Colombia to 8.4% in Bolivia in relation to the mean (7.4%). The chemical composition of the samples from the Southeast region of Brazil presented the largest positive variability in relation to the means. The third study was conducted in DDGS and elaborated prediction curves for FB1 and FB2. One hundred ninety samples were used to build the models, being 132 for calibration and 58 for external validation. The results of R and RPD for FB1 and FB2 were, respectively: 0.90 and 0.88; and 2.16 and 2.06. The fourth study evaluated DONcontaminated wheat flour samples using partial least-squares discriminant analysis (PLS-DA) and principal components-linear discriminant analysis (PC-LDA). The samples were classified according to the maximum tolerated limit (MTL) for DON in Brazil, 750 μg.kg-¹, and two groups were established for the calibration set: category A (≤ 450 μg kg-¹), non-contaminated or below the MTL; and category B (> 450 μg kg-¹), contaminated or above the MTL. Validation samples analyzed via PLS-DA showed correct classification rates between 85 and 87.5%; for PC-LDA, the hit rate was over 85%. Both methods presented a 10-15% error. The results achieved through these studies evidence the potential of the alternative technology NIRS to be used in the Industry, providing agility to the analytical process of the ingredients. Therefore, decisions can be made assertively and thus ensure food quality and safety.A qualidade do grão de cereal pode ser alterada pela presença de fungos, os quais podem produzir micotoxinas com potencial de causar danos à saúde humana e animal. Portanto, faz-se necessário monitorar os níveis dessas substâncias em produtos destinados ao consumo. Apesar de eficientes, as metodologias analíticas atualmente utilizadas são morosas e requerem o uso de diversos reagentes e instrumentos, sendo o desenvolvimento de métodos rápidos e confiáveis uma demanda da Indústria para agilizar a tomada de decisão. Nesse contexto, o presente trabalho emprega a espectroscopia de refletância no infravermelho próximo (NIRS) associada a métodos quimiométricos para quantificação e classificação na construção de modelos multivariados para a predição de micotoxinas. Quatro estudos foram desenvolvidos nas seguintes matrizes: milho; resíduo seco de destilaria com solúveis (DDGS) de milho; e farinha de trigo. As micotoxinas analisadas foram: aflatoxina B1 (AFB1), fumonisina B1 (FB1) + fumonisina B2 (FB2) (fumonisinas totais, FBs), deoxinivalenol (DON) e zearalenona (ZEA). Os dados espectrais foram processados pelo método de mínimos quadrados parciais e o número de componentes principais dos modelos foi determinado por validação cruzada. A cromatografia líquida acoplada à espectrometria de massas em tandem foi usada como metodologia de referência. O primeiro estudo desenvolveu curvas de predição para FBs e ZEA em milho. O coeficiente de correlação (R), o coeficiente de determinação e a relação de desempenho do desvio (RPD) para FBs e ZEA foram, respectivamente: 0,809 e 0,991; 0,899 e 0,984; e 3,33 e 2,71. O segundo estudo analisou a prevalência micotoxicológica e a composição nutricional (atividade de água, proteína bruta, extrato etéreo, amido e energia metabolizável aparente para aves) em 8.854 espectros de milho proveniente da Argentina, Bolívia, Brasil (estratificado por região), Colômbia e Peru em 2020. As FBs apresentaram a maior prevalência nas amostras latino-americanas assim como nas brasileiras: 91,6% e 92,6%, respectivamente. A proteína bruta variou de 6,7% na Colômbia a 8,4% na Bolívia em relação à média (7,4%). A composição química das amostras originárias da região Sudeste do Brasil mostrou a maior variabilidade positiva em relação às médias. O terceiro estudo foi realizado em DDGS e elaborou curvas de predição para FB1 e FB2. Os modelos foram construídos a partir de 190 amostras, sendo 132 para calibração e 58 para validação externa. Os resultados de R e RPD para FB1 e FB2 foram, respectivamente: 0,90 e 0,88; e 2,16 e 2,06. O quarto estudo avaliou amostras de farinha de trigo contaminadas com DON utilizando os métodos de análise discriminante por mínimos quadrados parciais (PLS-DA) e análise discriminante linear de componentes principais (PC-LDA). A classificação das amostras baseou-se no limite máximo tolerado (LMT) para DON no Brasil, 750 μg kg-¹, sendo dois grupos estabelecidos para o conjunto de calibração: categoria A (≤ 450 μg kg-¹), não contaminado ou inferior ao LMT; e categoria B (> 450 μg kg-¹), contaminado ou acima do LMT. As amostras de validação analisadas por PLS-DA apresentaram taxas de classificação correta entre 85 e 87,5%; para PC-LDA, a taxa de acerto foi superior a 85%. Nos dois casos, o erro foi de 10 a 15%. Os resultados obtidos através desses estudos indicam o potencial da tecnologia alternativa NIRS para uso na Indústria, conferindo agilidade ao processo analítico dos ingredientes. Dessa forma, as decisões podem ser tomadas de forma assertiva e assim assegurar a qualidade e a segurança alimentar.Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPESporUniversidade Federal de Santa MariaCentro de Ciências RuraisPrograma de Pós-Graduação em Medicina VeterináriaUFSMBrasilMedicina VeterináriaAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessMicotoxinasEspectroscopia de reflectância no infravermelho próximoQuimiometriaMínimos quadrados parciaisMétodos classificatóriosMycotoxinsNear Infrared reflectance spectroscopyChemometricsPartial least squaresClassification methodsCNPQ::CIENCIAS AGRARIAS::MEDICINA VETERINARIAPredição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximoPrediction of mycotoxins in cereals and by-products via near infrared reflectance spectroscopyinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesisMallmann, Carlos Augustohttp://lattes.cnpq.br/5193771213666058Vogel, Fernanda Silveira Flôreshttp://lattes.cnpq.br/9676833435314493Almeida, Carlos Alberto Araujo deNascimento, Paulo Cícero doKrabbe, Everton LuisSá, Luciano Moraeshttp://lattes.cnpq.br/1346776288727019Tyska, Denize500500000007600600600600600600600600f8b7bb02-50a2-468a-91b2-0a75e5374e2ffec2e6d6-10e4-4f5a-9b36-857b0b2bbc2987a417ae-60eb-4318-9a6c-e38e8b3da5d65690e3d3-e4ff-47ee-8a96-dcb3c75bd4474b484079-716a-42c6-95ca-2c152d0f628f03ccf2ea-12df-4622-bfeb-f88b759332b9e32c8dae-5338-4416-ad0f-bfe6339c29fcreponame:Biblioteca Digital de Teses e Dissertações do UFSMinstname:Universidade Federal de Santa Maria (UFSM)instacron:UFSMORIGINALTES_PPGMV_2021_TYSKA_DENIZE.pdfTES_PPGMV_2021_TYSKA_DENIZE.pdfTese de doutoradoapplication/pdf2763501http://repositorio.ufsm.br/bitstream/1/23198/1/TES_PPGMV_2021_TYSKA_DENIZE.pdfde867094a3ac36f27835adc55ae55298MD51CC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; 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dc.title.por.fl_str_mv Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo
dc.title.alternative.eng.fl_str_mv Prediction of mycotoxins in cereals and by-products via near infrared reflectance spectroscopy
title Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo
spellingShingle Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo
Tyska, Denize
Micotoxinas
Espectroscopia de reflectância no infravermelho próximo
Quimiometria
Mínimos quadrados parciais
Métodos classificatórios
Mycotoxins
Near Infrared reflectance spectroscopy
Chemometrics
Partial least squares
Classification methods
CNPQ::CIENCIAS AGRARIAS::MEDICINA VETERINARIA
title_short Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo
title_full Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo
title_fullStr Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo
title_full_unstemmed Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo
title_sort Predição de micotoxinas em cereais e subprodutos via espectroscopia de reflectância no infravermelho próximo
author Tyska, Denize
author_facet Tyska, Denize
author_role author
dc.contributor.advisor1.fl_str_mv Mallmann, Carlos Augusto
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/5193771213666058
dc.contributor.advisor-co1.fl_str_mv Vogel, Fernanda Silveira Flôres
dc.contributor.advisor-co1Lattes.fl_str_mv http://lattes.cnpq.br/9676833435314493
dc.contributor.referee1.fl_str_mv Almeida, Carlos Alberto Araujo de
dc.contributor.referee2.fl_str_mv Nascimento, Paulo Cícero do
dc.contributor.referee3.fl_str_mv Krabbe, Everton Luis
dc.contributor.referee4.fl_str_mv Sá, Luciano Moraes
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/1346776288727019
dc.contributor.author.fl_str_mv Tyska, Denize
contributor_str_mv Mallmann, Carlos Augusto
Vogel, Fernanda Silveira Flôres
Almeida, Carlos Alberto Araujo de
Nascimento, Paulo Cícero do
Krabbe, Everton Luis
Sá, Luciano Moraes
dc.subject.por.fl_str_mv Micotoxinas
Espectroscopia de reflectância no infravermelho próximo
Quimiometria
Mínimos quadrados parciais
Métodos classificatórios
topic Micotoxinas
Espectroscopia de reflectância no infravermelho próximo
Quimiometria
Mínimos quadrados parciais
Métodos classificatórios
Mycotoxins
Near Infrared reflectance spectroscopy
Chemometrics
Partial least squares
Classification methods
CNPQ::CIENCIAS AGRARIAS::MEDICINA VETERINARIA
dc.subject.eng.fl_str_mv Mycotoxins
Near Infrared reflectance spectroscopy
Chemometrics
Partial least squares
Classification methods
dc.subject.cnpq.fl_str_mv CNPQ::CIENCIAS AGRARIAS::MEDICINA VETERINARIA
description Cereal grain quality can be altered by the presence of fungi, which may produce mycotoxins that have the potential to cause harm to human and animal health. It is thus essential to monitor the levels of such substances in products intended for consumption. Despite being efficient, current analytical methodologies are time consuming and require the use of varied reagents and instruments, so the Industry demands the development of fast and reliable methods to expedite decision making. In this setting, the present work employs near infrared reflectance spectroscopy (NIRS) in association with chemometric methods for quantification and classification to build multivariate models for predicting mycotoxins. Four studies were performed in the following matrices: corn; corn distiller’s dried grains with solubles (DDGS); and wheat flour. The analyzed mycotoxins were aflatoxin B1 (AFB1), fumonisin B1 (FB1) + fumonisin B2 (FB2) (total fumonisins, FBs), deoxynivalenol (DON) and zearalenone (ZEA). Spectral data were processed through partial least squares and the number of principal components of the models was determined by cross-validation. Liquid chromatography coupled to tandem mass spectrometry was used as the reference methodology. The first study developed prediction curves for FBs and ZEA in corn. Correlation coefficient (R), determination coefficient and residual prediction deviation (RPD) for FBs and ZEA were, respectively: 0.809 and 0.991; 0.899 and 0.984; and 3.33 and 2.71. The second study assessed mycotoxicological prevalence and chemical composition (water activity, crude protein, ether extract, starch and apparent metabolisable energy in poultry) in 8,854 spectra of corn originating from Argentina, Bolivia, Brazil (stratified per regions), Colombia and Peru in 2020. FBs showed the greatest prevalence in South American as well as in Brazilian samples: 91.6% and 92.6%, respectively. Crude protein ranged from 6.7% in Colombia to 8.4% in Bolivia in relation to the mean (7.4%). The chemical composition of the samples from the Southeast region of Brazil presented the largest positive variability in relation to the means. The third study was conducted in DDGS and elaborated prediction curves for FB1 and FB2. One hundred ninety samples were used to build the models, being 132 for calibration and 58 for external validation. The results of R and RPD for FB1 and FB2 were, respectively: 0.90 and 0.88; and 2.16 and 2.06. The fourth study evaluated DONcontaminated wheat flour samples using partial least-squares discriminant analysis (PLS-DA) and principal components-linear discriminant analysis (PC-LDA). The samples were classified according to the maximum tolerated limit (MTL) for DON in Brazil, 750 μg.kg-¹, and two groups were established for the calibration set: category A (≤ 450 μg kg-¹), non-contaminated or below the MTL; and category B (> 450 μg kg-¹), contaminated or above the MTL. Validation samples analyzed via PLS-DA showed correct classification rates between 85 and 87.5%; for PC-LDA, the hit rate was over 85%. Both methods presented a 10-15% error. The results achieved through these studies evidence the potential of the alternative technology NIRS to be used in the Industry, providing agility to the analytical process of the ingredients. Therefore, decisions can be made assertively and thus ensure food quality and safety.
publishDate 2021
dc.date.accessioned.fl_str_mv 2021-12-09T11:13:44Z
dc.date.available.fl_str_mv 2021-12-09T11:13:44Z
dc.date.issued.fl_str_mv 2021-09-01
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/doctoralThesis
format doctoralThesis
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://repositorio.ufsm.br/handle/1/23198
url http://repositorio.ufsm.br/handle/1/23198
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