Discriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricos
| Ano de defesa: | 2025 |
|---|---|
| Autor(a) principal: | |
| Orientador(a): | |
| Banca de defesa: | , , |
| 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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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). No. of bitstreams: 1 Eduarda_Ballmann_2025.pdf: 3786619 bytes, checksum: f80393eadcbbb3dadc536753ea9993b4 (MD5) Previous issue date: 2025-03-12application/pdfpor-2624803687637593200500Universidade Estadual do Oeste do ParanáToledoPrograma de Pós-Graduação em QuímicaUNIOESTEBrasilCentro de Engenharias e Ciências Exatashttp://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessAnálise multivariada.Qualidade de alimentosTécnicas espectroscópicasOrigem geográficaMultivariate analysisFood qualitySpectroscopic techniquesGeographical originCIENCIAS EXATAS E DA TERRA::QUIMICADiscriminação de farinhas de trigo brasileiras e argentinas empregando espectroscopia e métodos quimiométricosBrazilian and argentine wheat flours discrimination using spectroscopy and chemometric methodsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesis1435648362225100898600600600-77344021240821469221571700325303117195reponame:Biblioteca Digital de Teses e Dissertações do UNIOESTEinstname:Universidade Estadual do Oeste do Paraná (UNIOESTE)instacron:UNIOESTEORIGINALEduarda_Ballmann_2025.pdfEduarda_Ballmann_2025.pdfapplication/pdf3786619http://tede.unioeste.br:8080/tede/bitstream/tede/7819/2/Eduarda_Ballmann_2025.pdff80393eadcbbb3dadc536753ea9993b4MD52LICENSElicense.txtlicense.txttext/plain; charset=utf-82165http://tede.unioeste.br:8080/tede/bitstream/tede/7819/1/license.txtbd3efa91386c1718a7f26a329fdcb468MD51tede/78192025-05-08 21:20:51.063oai:tede.unioeste.br:tede/7819Tk9UQTogQ09MT1FVRSBBUVVJIEEgU1VBIFBSw5NQUklBIExJQ0VOw4dBCkVzdGEgbGljZW7Dp2EgZGUgZXhlbXBsbyDDqSBmb3JuZWNpZGEgYXBlbmFzIHBhcmEgZmlucyBpbmZvcm1hdGl2b3MuCgpMSUNFTsOHQSBERSBESVNUUklCVUnDh8ODTyBOw4NPLUVYQ0xVU0lWQQoKQ29tIGEgYXByZXNlbnRhw6fDo28gZGVzdGEgbGljZW7Dp2EsIHZvY8OqIChvIGF1dG9yIChlcykgb3UgbyB0aXR1bGFyIGRvcyBkaXJlaXRvcyBkZSBhdXRvcikgY29uY2VkZSDDoCBVbml2ZXJzaWRhZGUgClhYWCAoU2lnbGEgZGEgVW5pdmVyc2lkYWRlKSBvIGRpcmVpdG8gbsOjby1leGNsdXNpdm8gZGUgcmVwcm9kdXppciwgIHRyYWR1emlyIChjb25mb3JtZSBkZWZpbmlkbyBhYmFpeG8pLCBlL291IApkaXN0cmlidWlyIGEgc3VhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbyAoaW5jbHVpbmRvIG8gcmVzdW1vKSBwb3IgdG9kbyBvIG11bmRvIG5vIGZvcm1hdG8gaW1wcmVzc28gZSBlbGV0csO0bmljbyBlIAplbSBxdWFscXVlciBtZWlvLCBpbmNsdWluZG8gb3MgZm9ybWF0b3Mgw6F1ZGlvIG91IHbDrWRlby4KClZvY8OqIGNvbmNvcmRhIHF1ZSBhIFNpZ2xhIGRlIFVuaXZlcnNpZGFkZSBwb2RlLCBzZW0gYWx0ZXJhciBvIGNvbnRlw7pkbywgdHJhbnNwb3IgYSBzdWEgdGVzZSBvdSBkaXNzZXJ0YcOnw6NvIApwYXJhIHF1YWxxdWVyIG1laW8gb3UgZm9ybWF0byBwYXJhIGZpbnMgZGUgcHJlc2VydmHDp8Ojby4KClZvY8OqIHRhbWLDqW0gY29uY29yZGEgcXVlIGEgU2lnbGEgZGUgVW5pdmVyc2lkYWRlIHBvZGUgbWFudGVyIG1haXMgZGUgdW1hIGPDs3BpYSBhIHN1YSB0ZXNlIG91IApkaXNzZXJ0YcOnw6NvIHBhcmEgZmlucyBkZSBzZWd1cmFuw6dhLCBiYWNrLXVwIGUgcHJlc2VydmHDp8Ojby4KClZvY8OqIGRlY2xhcmEgcXVlIGEgc3VhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbyDDqSBvcmlnaW5hbCBlIHF1ZSB2b2PDqiB0ZW0gbyBwb2RlciBkZSBjb25jZWRlciBvcyBkaXJlaXRvcyBjb250aWRvcyAKbmVzdGEgbGljZW7Dp2EuIFZvY8OqIHRhbWLDqW0gZGVjbGFyYSBxdWUgbyBkZXDDs3NpdG8gZGEgc3VhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbyBuw6NvLCBxdWUgc2VqYSBkZSBzZXUgCmNvbmhlY2ltZW50bywgaW5mcmluZ2UgZGlyZWl0b3MgYXV0b3JhaXMgZGUgbmluZ3XDqW0uCgpDYXNvIGEgc3VhIHRlc2Ugb3UgZGlzc2VydGHDp8OjbyBjb250ZW5oYSBtYXRlcmlhbCBxdWUgdm9jw6ogbsOjbyBwb3NzdWkgYSB0aXR1bGFyaWRhZGUgZG9zIGRpcmVpdG9zIGF1dG9yYWlzLCB2b2PDqiAKZGVjbGFyYSBxdWUgb2J0ZXZlIGEgcGVybWlzc8OjbyBpcnJlc3RyaXRhIGRvIGRldGVudG9yIGRvcyBkaXJlaXRvcyBhdXRvcmFpcyBwYXJhIGNvbmNlZGVyIMOgIFNpZ2xhIGRlIFVuaXZlcnNpZGFkZSAKb3MgZGlyZWl0b3MgYXByZXNlbnRhZG9zIG5lc3RhIGxpY2Vuw6dhLCBlIHF1ZSBlc3NlIG1hdGVyaWFsIGRlIHByb3ByaWVkYWRlIGRlIHRlcmNlaXJvcyBlc3TDoSBjbGFyYW1lbnRlIAppZGVudGlmaWNhZG8gZSByZWNvbmhlY2lkbyBubyB0ZXh0byBvdSBubyBjb250ZcO6ZG8gZGEgdGVzZSBvdSBkaXNzZXJ0YcOnw6NvIG9yYSBkZXBvc2l0YWRhLgoKQ0FTTyBBIFRFU0UgT1UgRElTU0VSVEHDh8ODTyBPUkEgREVQT1NJVEFEQSBURU5IQSBTSURPIFJFU1VMVEFETyBERSBVTSBQQVRST0PDjU5JTyBPVSAKQVBPSU8gREUgVU1BIEFHw4pOQ0lBIERFIEZPTUVOVE8gT1UgT1VUUk8gT1JHQU5JU01PIFFVRSBOw4NPIFNFSkEgQSBTSUdMQSBERSAKVU5JVkVSU0lEQURFLCBWT0PDiiBERUNMQVJBIFFVRSBSRVNQRUlUT1UgVE9ET1MgRSBRVUFJU1FVRVIgRElSRUlUT1MgREUgUkVWSVPDg08gQ09NTyAKVEFNQsOJTSBBUyBERU1BSVMgT0JSSUdBw4fDlUVTIEVYSUdJREFTIFBPUiBDT05UUkFUTyBPVSBBQ09SRE8uCgpBIFNpZ2xhIGRlIFVuaXZlcnNpZGFkZSBzZSBjb21wcm9tZXRlIGEgaWRlbnRpZmljYXIgY2xhcmFtZW50ZSBvIHNldSBub21lIChzKSBvdSBvKHMpIG5vbWUocykgZG8ocykgCmRldGVudG9yKGVzKSBkb3MgZGlyZWl0b3MgYXV0b3JhaXMgZGEgdGVzZSBvdSBkaXNzZXJ0YcOnw6NvLCBlIG7Do28gZmFyw6EgcXVhbHF1ZXIgYWx0ZXJhw6fDo28sIGFsw6ltIGRhcXVlbGFzIApjb25jZWRpZGFzIHBvciBlc3RhIGxpY2Vuw6dhLgo=Biblioteca Digital de Teses e Dissertaçõeshttp://tede.unioeste.br/PUBhttp://tede.unioeste.br/oai/requestbiblioteca.repositorio@unioeste.bropendoar:2025-05-09T00:20:51Biblioteca Digital de Teses e Dissertações do UNIOESTE - Universidade Estadual do Oeste do Paraná (UNIOESTE)false |
| 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 |
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2025-05-09T00:20:51Z |
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2025-03-12 |
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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.. |
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https://tede.unioeste.br/handle/tede/7819 |
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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.. |
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