Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo
Ano de defesa: | 2023 |
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Autor(a) principal: | |
Orientador(a): | |
Banca de defesa: | |
Tipo de documento: | Tese |
Tipo de acesso: | Acesso aberto |
Idioma: | por |
Instituição de defesa: |
Não Informado pela instituição
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Programa de Pós-Graduação: |
Pós-Graduação em Química
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Departamento: |
Não Informado pela instituição
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País: |
Não Informado pela instituição
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Palavras-chave em Português: | |
Palavras-chave em Inglês: | |
Área do conhecimento CNPq: | |
Link de acesso: | http://ri.ufs.br/jspui/handle/riufs/17495 |
Resumo: | In 2019, the northeast coast of Brazil was impacted by the appearance of a large volume of oil, which was recorded as the largest environmental disaster in the country involving this type of material. Samples of this oil were collected between the states of Sergipe and Pernambuco, as well as Samples of the main producing currents of the Sergipe-Alagoas Basin and two drums that landed on the coast of Sergipe and Rio Grande do Norte. In order to evaluate the existence of a relationship between these materials, the present work proposed the geochemical characterization of Samples by gas chromatography/mass spectrometry (GC/MS) and X-ray dispersive energy spectroscopy (EDX), as well as the application of a new multilayered strategy employing the mass spectrometry technique in its two most developed forms of analysis, the sequential mode by monitoring multiple reactions (MRM) and ultra-high resolution (UHRMS), to assign similarity relationships between the samples from SergipeAlagoas basin, barrel and spilled oil samples. The proposal was based on recent advances in mass spectrometry and the limitations of the method proposed by the European Normative Committee (Cen Method). Hopanes and steranes biomarker analyses by GC/MS/MS-MRM, EDX, as well as the data obtained from the reconstructed chromatogram to the m/z 85 ion, indicated that the spilled oils originated from the same event. The diagnostic ratios for thermal evolution and the contribution of organic matter, with emphasis on the presence of 18(H)- oleanane biomarker, support this statement. The use of UHRM data, as a new and additional analytical layer, contributed to the unambiguous attribution of similarity or dissimilarity between Samples when statistically treated by principal component analysis (PCA) and hierarchical clustering analysis (HCA). Based on the results, it is suggested that the spilled oils do not share similarities with oils produced in the Sergipe-Alagoas basin and present similarities with the oils contained in the drums. |
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Carregosa, Jhonattas de CarvalhoWisniewski Júnior, AlbertoSantos, Jandyson Machado2023-04-28T14:33:05Z2023-04-28T14:33:05Z2023-02-07CARREGOSA, Jhonattas de Carvalho. Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo. 2023. 166 f. Tese (Doutorado em Química) – Universidade Federal de Sergipe, São Cristóvão, 2023.http://ri.ufs.br/jspui/handle/riufs/17495In 2019, the northeast coast of Brazil was impacted by the appearance of a large volume of oil, which was recorded as the largest environmental disaster in the country involving this type of material. Samples of this oil were collected between the states of Sergipe and Pernambuco, as well as Samples of the main producing currents of the Sergipe-Alagoas Basin and two drums that landed on the coast of Sergipe and Rio Grande do Norte. In order to evaluate the existence of a relationship between these materials, the present work proposed the geochemical characterization of Samples by gas chromatography/mass spectrometry (GC/MS) and X-ray dispersive energy spectroscopy (EDX), as well as the application of a new multilayered strategy employing the mass spectrometry technique in its two most developed forms of analysis, the sequential mode by monitoring multiple reactions (MRM) and ultra-high resolution (UHRMS), to assign similarity relationships between the samples from SergipeAlagoas basin, barrel and spilled oil samples. The proposal was based on recent advances in mass spectrometry and the limitations of the method proposed by the European Normative Committee (Cen Method). Hopanes and steranes biomarker analyses by GC/MS/MS-MRM, EDX, as well as the data obtained from the reconstructed chromatogram to the m/z 85 ion, indicated that the spilled oils originated from the same event. The diagnostic ratios for thermal evolution and the contribution of organic matter, with emphasis on the presence of 18(H)- oleanane biomarker, support this statement. The use of UHRM data, as a new and additional analytical layer, contributed to the unambiguous attribution of similarity or dissimilarity between Samples when statistically treated by principal component analysis (PCA) and hierarchical clustering analysis (HCA). Based on the results, it is suggested that the spilled oils do not share similarities with oils produced in the Sergipe-Alagoas basin and present similarities with the oils contained in the drums.Em 2019, a costa nordeste do Brasil foi impactada pelo aparecimento de um grande volume de óleo, registrado como o maior desastre ambiental do país envolvendo este tipo de material. Amostras deste óleo foram coletadas entre os estados de Sergipe e Pernambuco, bem como amostras das principais correntes produtoras da bacia Sergipe-Alagoas; e amostras de dois tambores que aportaram no litoral de Sergipe e um no Rio Grande do Norte. Com o objetivo de avaliar a existência de relação entre estes materiais, o presente trabalho propôs a caracterização geoquímica das amostras por cromatografia gasosa/ espectrometria de massas (GC/MS) e espectroscopia de energia dispersiva de raios-X (EDX); bem como a aplicação de uma nova estratégia multicamada empregando a técnica de espectrometria de massas nas suas duas formas mais desenvolvidas de análise, o modo sequencial por monitoramento de reações múltiplas (MRM) e ultra-alta resolução (UHRMS) para atribuição das relações de similaridade/dissimilaridade entre as amostras da bacia SE-AL, do tambor e do derramamento. A proposta foi baseada nos recentes avanços da espectrometria de massas e nas limitações do método proposto pelo Comitê Normativo Europeu (CEN method). As análises dos biomarcadores hopanos e esteranos, realizada por GC/MS/MS-MRM, EDX, e as informações obtidas a partir do cromatograma reconstruído para o íon m/z 85 apontaram que os óleos do derramamento são oriundos do mesmo evento. As razões de biomarcadores de evolução térmica e o aporte de matéria orgânica, com ênfase na presença do biomarcador 18(H)- oleanano sustentam essa afirmação. A utilização dos dados de UHRMS, como uma nova e adicional camada analítica, contribuiu para a atribuição inequívoca de similaridade/dissimilaridade entre as amostras, quando tratados estatisticamente por análises de componentes principais (PCA) e agrupamento hierárquico (HCA). Com base nos resultados, sugere-se que os óleos do derramamento não compartilham semelhanças com óleos produzidos na bacia Sergipe-Alagoas; e apresentaram similaridade com os óleos contidos nos tambores.Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPESSão CristóvãoporDerramamento de óleo no BrasilTransformada de FourierMarcadores bioquímicosAnálise multivariadaBiomarcadoresPetroleômicaOrbitrapBrazilian oil spillBiomarkersPetroleomicsMultivariate analysisCIENCIAS EXATAS E DA TERRA::QUIMICANova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleoNew multilayer strategy of mass spectrometry in petroleum forensic chemistryinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/doctoralThesisPós-Graduação em QuímicaUniversidade Federal de Sergipe (UFS)reponame:Repositório Institucional da UFSinstname:Universidade Federal de Sergipe (UFS)instacron:UFSinfo:eu-repo/semantics/openAccessLICENSElicense.txtlicense.txttext/plain; charset=utf-81475https://ri.ufs.br/jspui/bitstream/riufs/17495/1/license.txt098cbbf65c2c15e1fb2e49c5d306a44cMD51ORIGINALJHONATTAS_CARVALHO_CARREGOSA.pdfJHONATTAS_CARVALHO_CARREGOSA.pdfapplication/pdf6296641https://ri.ufs.br/jspui/bitstream/riufs/17495/2/JHONATTAS_CARVALHO_CARREGOSA.pdffa795b78f666760c234b6877af79c72cMD52TEXTJHONATTAS_CARVALHO_CARREGOSA.pdf.txtJHONATTAS_CARVALHO_CARREGOSA.pdf.txtExtracted texttext/plain237153https://ri.ufs.br/jspui/bitstream/riufs/17495/3/JHONATTAS_CARVALHO_CARREGOSA.pdf.txtd69f975592b8fab962eacdcd730cadc8MD53THUMBNAILJHONATTAS_CARVALHO_CARREGOSA.pdf.jpgJHONATTAS_CARVALHO_CARREGOSA.pdf.jpgGenerated Thumbnailimage/jpeg1469https://ri.ufs.br/jspui/bitstream/riufs/17495/4/JHONATTAS_CARVALHO_CARREGOSA.pdf.jpgcf37c900da4c758bb4c6df1bca673dbcMD54riufs/174952023-05-25 11:05:57.003oai:ufs.br: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Repositório InstitucionalPUBhttps://ri.ufs.br/oai/requestrepositorio@academico.ufs.bropendoar:2023-05-25T14:05:57Repositório Institucional da UFS - Universidade Federal de Sergipe (UFS)false |
dc.title.pt_BR.fl_str_mv |
Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo |
dc.title.alternative.eng.fl_str_mv |
New multilayer strategy of mass spectrometry in petroleum forensic chemistry |
title |
Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo |
spellingShingle |
Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo Carregosa, Jhonattas de Carvalho Derramamento de óleo no Brasil Transformada de Fourier Marcadores bioquímicos Análise multivariada Biomarcadores Petroleômica Orbitrap Brazilian oil spill Biomarkers Petroleomics Multivariate analysis CIENCIAS EXATAS E DA TERRA::QUIMICA |
title_short |
Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo |
title_full |
Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo |
title_fullStr |
Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo |
title_full_unstemmed |
Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo |
title_sort |
Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo |
author |
Carregosa, Jhonattas de Carvalho |
author_facet |
Carregosa, Jhonattas de Carvalho |
author_role |
author |
dc.contributor.author.fl_str_mv |
Carregosa, Jhonattas de Carvalho |
dc.contributor.advisor1.fl_str_mv |
Wisniewski Júnior, Alberto |
dc.contributor.advisor-co1.fl_str_mv |
Santos, Jandyson Machado |
contributor_str_mv |
Wisniewski Júnior, Alberto Santos, Jandyson Machado |
dc.subject.por.fl_str_mv |
Derramamento de óleo no Brasil Transformada de Fourier Marcadores bioquímicos Análise multivariada Biomarcadores Petroleômica |
topic |
Derramamento de óleo no Brasil Transformada de Fourier Marcadores bioquímicos Análise multivariada Biomarcadores Petroleômica Orbitrap Brazilian oil spill Biomarkers Petroleomics Multivariate analysis CIENCIAS EXATAS E DA TERRA::QUIMICA |
dc.subject.eng.fl_str_mv |
Orbitrap Brazilian oil spill Biomarkers Petroleomics Multivariate analysis |
dc.subject.cnpq.fl_str_mv |
CIENCIAS EXATAS E DA TERRA::QUIMICA |
description |
In 2019, the northeast coast of Brazil was impacted by the appearance of a large volume of oil, which was recorded as the largest environmental disaster in the country involving this type of material. Samples of this oil were collected between the states of Sergipe and Pernambuco, as well as Samples of the main producing currents of the Sergipe-Alagoas Basin and two drums that landed on the coast of Sergipe and Rio Grande do Norte. In order to evaluate the existence of a relationship between these materials, the present work proposed the geochemical characterization of Samples by gas chromatography/mass spectrometry (GC/MS) and X-ray dispersive energy spectroscopy (EDX), as well as the application of a new multilayered strategy employing the mass spectrometry technique in its two most developed forms of analysis, the sequential mode by monitoring multiple reactions (MRM) and ultra-high resolution (UHRMS), to assign similarity relationships between the samples from SergipeAlagoas basin, barrel and spilled oil samples. The proposal was based on recent advances in mass spectrometry and the limitations of the method proposed by the European Normative Committee (Cen Method). Hopanes and steranes biomarker analyses by GC/MS/MS-MRM, EDX, as well as the data obtained from the reconstructed chromatogram to the m/z 85 ion, indicated that the spilled oils originated from the same event. The diagnostic ratios for thermal evolution and the contribution of organic matter, with emphasis on the presence of 18(H)- oleanane biomarker, support this statement. The use of UHRM data, as a new and additional analytical layer, contributed to the unambiguous attribution of similarity or dissimilarity between Samples when statistically treated by principal component analysis (PCA) and hierarchical clustering analysis (HCA). Based on the results, it is suggested that the spilled oils do not share similarities with oils produced in the Sergipe-Alagoas basin and present similarities with the oils contained in the drums. |
publishDate |
2023 |
dc.date.accessioned.fl_str_mv |
2023-04-28T14:33:05Z |
dc.date.available.fl_str_mv |
2023-04-28T14:33:05Z |
dc.date.issued.fl_str_mv |
2023-02-07 |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/doctoralThesis |
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doctoralThesis |
status_str |
publishedVersion |
dc.identifier.citation.fl_str_mv |
CARREGOSA, Jhonattas de Carvalho. Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo. 2023. 166 f. Tese (Doutorado em Química) – Universidade Federal de Sergipe, São Cristóvão, 2023. |
dc.identifier.uri.fl_str_mv |
http://ri.ufs.br/jspui/handle/riufs/17495 |
identifier_str_mv |
CARREGOSA, Jhonattas de Carvalho. Nova estratégia multicamada de aplicação da espectrometria de massas na química forense de petróleo. 2023. 166 f. Tese (Doutorado em Química) – Universidade Federal de Sergipe, São Cristóvão, 2023. |
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por |
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Pós-Graduação em Química |
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Universidade Federal de Sergipe (UFS) |
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