Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos

Detalhes bibliográficos
Ano de defesa: 2025
Autor(a) principal: Ballmann, Eduarda lattes
Orientador(a): Schneider, Ricardo lattes
Banca de defesa: Nicolodelli, Gustavo lattes, Dragunski, Douglas Cardoso lattes, Schneider, Ricardo lattes
Tipo de documento: Dissertação
Tipo de acesso: Acesso aberto
Idioma: por
Instituição de defesa: Universidade Estadual do Oeste do Paraná
Toledo
Programa de Pós-Graduação: Programa de Pós-Graduação em Química
Departamento: Centro de Engenharias e Ciências Exatas
País: Brasil
Palavras-chave em Português:
Palavras-chave em Inglês:
Área do conhecimento CNPq:
Link de acesso: https://tede.unioeste.br/handle/tede/7819
Resumo: Considered an essential food in the human diet, wheat flour is influenced by geographic origin, grain quality, and the manufacturing process, variables that affect its quality and can be assessed using chemometrics. By employing spectroscopic techniques combined with Principal Component Analysis (PCA), a multivariate chemometric technique, it is possible to identify the main variables that contribute to the variability in flour composition, as well as to identify patterns in the obtained data, quickly and reliably. The main objective of this work was to discriminate commercial wheat flours of Brazilian and Argentine origin, using spectroscopic techniques with reduced sample preparation, such as Fourier Transform Infrared Spectroscopy - Attenuated Total Reflectance (FTIR-ATR), Laser Induced Breakdown Spectroscopy (LIBS), and Energy Dispersive X-ray Fluorescence Spectroscopy (EDXRF), combined with chemometrics. For the FTIR-ATR technique, PCA showed that it is possible to separate the flours based on the country of origin, without any prior treatment, particularly in the spectral region below 1150 cm⁻¹. The Argentine samples exhibited less data dispersion compared to the Brazilian samples and corroborated the results obtained in the moisture analysis. Additionally, partial discrimination of the wheat flour samples based on the cultivar of the wheat grains used was possible. As an additional study, the discrimination between wheat flour and cassava flour at four concentration levels (0%, 3%, 10%, and 40% m/m) was evaluated using the FTIR-ATR technique. For the LIBS and EDXRF analyses, the presence of inorganic elements such as potassium, calcium, and iron were observed, and their importance in the discrimination of the flours by PCA was highlighted, with data variance accumulated exceeding 84%. These results suggest a possible correlation with the location of grain cultivation.
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spelling Schneider, Ricardohttp://lattes.cnpq.br/0680583757403350Lindino, Cleber Antoniohttp://lattes.cnpq.br/5882513103054906Nicolodelli, Gustavohttp://lattes.cnpq.br/8187572698319879Dragunski, Douglas Cardosohttp://lattes.cnpq.br/0612112281360342Schneider, Ricardohttp://lattes.cnpq.br/0680583757403350http://lattes.cnpq.br/9620369206488465Ballmann, Eduarda2025-05-09T00:20:51Z2025-03-12BALLMANN, Eduarda. Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos. 2025. 58 f. Dissertação (Mestrado em Química) - Universidade Estadual do Oeste do Paraná, Toledo, 2025..https://tede.unioeste.br/handle/tede/7819Considered an essential food in the human diet, wheat flour is influenced by geographic origin, grain quality, and the manufacturing process, variables that affect its quality and can be assessed using chemometrics. By employing spectroscopic techniques combined with Principal Component Analysis (PCA), a multivariate chemometric technique, it is possible to identify the main variables that contribute to the variability in flour composition, as well as to identify patterns in the obtained data, quickly and reliably. The main objective of this work was to discriminate commercial wheat flours of Brazilian and Argentine origin, using spectroscopic techniques with reduced sample preparation, such as Fourier Transform Infrared Spectroscopy - Attenuated Total Reflectance (FTIR-ATR), Laser Induced Breakdown Spectroscopy (LIBS), and Energy Dispersive X-ray Fluorescence Spectroscopy (EDXRF), combined with chemometrics. For the FTIR-ATR technique, PCA showed that it is possible to separate the flours based on the country of origin, without any prior treatment, particularly in the spectral region below 1150 cm⁻¹. The Argentine samples exhibited less data dispersion compared to the Brazilian samples and corroborated the results obtained in the moisture analysis. Additionally, partial discrimination of the wheat flour samples based on the cultivar of the wheat grains used was possible. As an additional study, the discrimination between wheat flour and cassava flour at four concentration levels (0%, 3%, 10%, and 40% m/m) was evaluated using the FTIR-ATR technique. For the LIBS and EDXRF analyses, the presence of inorganic elements such as potassium, calcium, and iron were observed, and their importance in the discrimination of the flours by PCA was highlighted, with data variance accumulated exceeding 84%. These results suggest a possible correlation with the location of grain cultivation.Considerada um alimento essencial na dieta humana, a farinha de trigo é influenciada pela origem geográfica, pela qualidade do grão e pelo processo de fabricação, variáveis que afetam sua qualidade e que podem ser verificadas emprego da quimiometria. Utilizando técnicas espectroscópicas combinadas à Análise de Componentes Principais (PCA), uma técnica quimiométrica multivariada, é possível identificar as principais variáveis que contribuem para a variabilidade na composição da farinha, além de identificar padrões nos dados obtidos, de forma rápida e segura. O objetivo principal deste trabalho foi discriminar farinhas de trigo comerciais de origem brasileira e argentina, empregando técnicas espectroscópicas de preparo de amostras reduzido, como a Espectroscopia de Infravermelho com Transformada de Fourier - Refletância total atenuada (FTIR-ATR), Espectroscopia de Emissão Óptica com Plasma Induzido por Laser (LIBS) e Espectroscopia de Fluorescência de Raios X por Energia Dispersiva (EDXRF), associadas ao uso de quimiometria. Para a técnica de FTIR-ATR, a PCA mostrou que é possível separar as farinhas com base no país de origem, sem nenhum tratamento prévio e na região espectral abaixo de 1150cm-1. As amostras argentinas apresentam menor dispersão de dados quando comparadas as amostras brasileiras e corroboram com resultados obtidos na análise de umidade, além disso, foi possível realizar a discriminação parcial das amostras de farinha de trigo com base na cultivar dos grãos utilizados. Como estudo adicional, foi verificada a discriminação entre a farinha de trigo com farinha de mandioca em 4 níveis de concentração (0, 3,10 e 40% m/m) pela técnica de FTIR-ATR. Para as análises de LIBS e EDXRF, constatou-se a presença de elementos inorgânicos como potássio, cálcio e ferro, cuja importância na discriminação das farinhas pela PCA foi destacada, com variância de dados acumulada superior a 84%. Esses resultados sugerem uma possível relação com a localização de cultivo dos grãos.Submitted by Marilene Donadel (marilene.donadel@unioeste.br) on 2025-05-09T00:20:50Z No. of bitstreams: 1 Eduarda_Ballmann_2025.pdf: 3786619 bytes, checksum: f80393eadcbbb3dadc536753ea9993b4 (MD5)Made available in DSpace on 2025-05-09T00:20:51Z (GMT). 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dc.title.por.fl_str_mv Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
dc.title.alternative.eng.fl_str_mv Brazilian and argentine wheat flours discrimination using spectroscopy and chemometric methods
title Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
spellingShingle Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
Ballmann, Eduarda
Análise multivariada.
Qualidade de alimentos
Técnicas espectroscópicas
Origem geográfica
Multivariate analysis
Food quality
Spectroscopic techniques
Geographical origin
CIENCIAS EXATAS E DA TERRA::QUIMICA
title_short Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
title_full Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
title_fullStr Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
title_full_unstemmed Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
title_sort Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
author Ballmann, Eduarda
author_facet Ballmann, Eduarda
author_role author
dc.contributor.advisor1.fl_str_mv Schneider, Ricardo
dc.contributor.advisor1Lattes.fl_str_mv http://lattes.cnpq.br/0680583757403350
dc.contributor.advisor-co1.fl_str_mv Lindino, Cleber Antonio
dc.contributor.advisor-co1Lattes.fl_str_mv http://lattes.cnpq.br/5882513103054906
dc.contributor.referee1.fl_str_mv Nicolodelli, Gustavo
dc.contributor.referee1Lattes.fl_str_mv http://lattes.cnpq.br/8187572698319879
dc.contributor.referee2.fl_str_mv Dragunski, Douglas Cardoso
dc.contributor.referee2Lattes.fl_str_mv http://lattes.cnpq.br/0612112281360342
dc.contributor.referee3.fl_str_mv Schneider, Ricardo
dc.contributor.referee3Lattes.fl_str_mv http://lattes.cnpq.br/0680583757403350
dc.contributor.authorLattes.fl_str_mv http://lattes.cnpq.br/9620369206488465
dc.contributor.author.fl_str_mv Ballmann, Eduarda
contributor_str_mv Schneider, Ricardo
Lindino, Cleber Antonio
Nicolodelli, Gustavo
Dragunski, Douglas Cardoso
Schneider, Ricardo
dc.subject.por.fl_str_mv Análise multivariada.
Qualidade de alimentos
Técnicas espectroscópicas
Origem geográfica
topic Análise multivariada.
Qualidade de alimentos
Técnicas espectroscópicas
Origem geográfica
Multivariate analysis
Food quality
Spectroscopic techniques
Geographical origin
CIENCIAS EXATAS E DA TERRA::QUIMICA
dc.subject.eng.fl_str_mv Multivariate analysis
Food quality
Spectroscopic techniques
Geographical origin
dc.subject.cnpq.fl_str_mv CIENCIAS EXATAS E DA TERRA::QUIMICA
description Considered an essential food in the human diet, wheat flour is influenced by geographic origin, grain quality, and the manufacturing process, variables that affect its quality and can be assessed using chemometrics. By employing spectroscopic techniques combined with Principal Component Analysis (PCA), a multivariate chemometric technique, it is possible to identify the main variables that contribute to the variability in flour composition, as well as to identify patterns in the obtained data, quickly and reliably. The main objective of this work was to discriminate commercial wheat flours of Brazilian and Argentine origin, using spectroscopic techniques with reduced sample preparation, such as Fourier Transform Infrared Spectroscopy - Attenuated Total Reflectance (FTIR-ATR), Laser Induced Breakdown Spectroscopy (LIBS), and Energy Dispersive X-ray Fluorescence Spectroscopy (EDXRF), combined with chemometrics. For the FTIR-ATR technique, PCA showed that it is possible to separate the flours based on the country of origin, without any prior treatment, particularly in the spectral region below 1150 cm⁻¹. The Argentine samples exhibited less data dispersion compared to the Brazilian samples and corroborated the results obtained in the moisture analysis. Additionally, partial discrimination of the wheat flour samples based on the cultivar of the wheat grains used was possible. As an additional study, the discrimination between wheat flour and cassava flour at four concentration levels (0%, 3%, 10%, and 40% m/m) was evaluated using the FTIR-ATR technique. For the LIBS and EDXRF analyses, the presence of inorganic elements such as potassium, calcium, and iron were observed, and their importance in the discrimination of the flours by PCA was highlighted, with data variance accumulated exceeding 84%. These results suggest a possible correlation with the location of grain cultivation.
publishDate 2025
dc.date.accessioned.fl_str_mv 2025-05-09T00:20:51Z
dc.date.issued.fl_str_mv 2025-03-12
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dc.identifier.citation.fl_str_mv BALLMANN, Eduarda. Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos. 2025. 58 f. Dissertação (Mestrado em Química) - Universidade Estadual do Oeste do Paraná, Toledo, 2025..
dc.identifier.uri.fl_str_mv https://tede.unioeste.br/handle/tede/7819
identifier_str_mv BALLMANN, Eduarda. Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos. 2025. 58 f. Dissertação (Mestrado em Química) - Universidade Estadual do Oeste do Paraná, Toledo, 2025..
url https://tede.unioeste.br/handle/tede/7819
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dc.publisher.none.fl_str_mv Universidade Estadual do Oeste do Paraná
Toledo
dc.publisher.program.fl_str_mv Programa de Pós-Graduação em Química
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dc.publisher.country.fl_str_mv Brasil
dc.publisher.department.fl_str_mv Centro de Engenharias e Ciências Exatas
publisher.none.fl_str_mv Universidade Estadual do Oeste do Paraná
Toledo
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