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Título: MULTIRESIDUE METHOD DEVELOPMENT IN GC-MS/MS AND FUZZY LOGIC IN THE STUDY OF PAHS, PCBS, PBDES AND ORGANOCHLORINE PESTICIDES AND THEIR APPLICATION IN COASTAL SYSTEMS IN BRAZIL
Autor: LEONARDO GRIPP BOM AMORIM
Instituição: PONTIFÍCIA UNIVERSIDADE CATÓLICA DO RIO DE JANEIRO - PUC-RIO
Colaborador(es):  CARLOS GERMAN MASSONE - ADVISOR
Nº do Conteudo: 63873
Catalogação:  31/08/2023 Idioma(s):  PORTUGUESE - BRAZIL
Tipo:  TEXT Subtipo:  THESIS
Natureza:  SCHOLARLY PUBLICATION
Nota:  Todos os dados constantes dos documentos são de inteira responsabilidade de seus autores. Os dados utilizados nas descrições dos documentos estão em conformidade com os sistemas da administração da PUC-Rio.
Referência [pt]:  https://www.maxwell.vrac.puc-rio.br/colecao.php?strSecao=resultado&nrSeq=63873@1
Referência [en]:  https://www.maxwell.vrac.puc-rio.br/colecao.php?strSecao=resultado&nrSeq=63873@2
Referência DOI:  https://doi.org/10.17771/PUCRio.acad.63873

Resumo:
The present work aimed at developing a multiresidue method and application in sedimentary testimonies for a geochronological analysis of the contamination of Sepetiba Bay by four classes of organic contaminants: (i) polycyclic aromatic hydrocarbons (PAHs), (ii) polychlorinated biphenyls (PCBs); (iii) polybrominated diphenyl ethers (PBDEs) and (iv) organochlorinated pesticides (OCPs). In addition to the analytes contemplated in the method developed, other parameters were analyzed (alkylated PAHs, petroleum biomarkers, aliphatic hydrocarbons, total organic carbon and total nitrogen) to allow a more in-depth analysis of the sources and origin of organic matter and compounds associated with petroleum. Sediment cores were collected between July and October 2016 by Gonçalvez et al. (2020) and were dated by analysis of 210Pb decay activity and validated using Zn and Cd profiles. The developed method is based on ultrasonic extraction with a mixture of dichloromethane:methanol (9:1 v/v) and gas chromatography coupled with tandem mass spectrometry analysis (GC-MS/MS) in multiple reaction monitoring (MRM) mode. A total of 89 compounds, among PAHs, PCBs, OCPs, and PBDEs, were identified using two product/precursor ion standards for each analyte. The method detection limit (MDL; 0.001 - 0.055 ng g-1) and method quantification limit (MQL; 0.002 - 0.184 ng g-1) are below acceptable pollution levels adopted by international sediment quality guidelines. The method, which was published in the journal Analytical and Bioanalytical Chemstry in May 2022, was shown to be selective, sensitive, accurate, and linear, with the advantage of reducing sample handling time and the amount used of materials such as solvent and adsorbents.In order to further analyze the sources and origins of PAHs in the analyzed core samples, we applied a data analysis based on Fuzzy Logic, more specifically the Fuzzy C-Means (FCM) algorithm. In order to have a better theoretical basis for the application of this tool, an article was published in the journal Ocean and Coastal Research in February 2022, based on the statistical re-evaluation of data from two studies on sediment contamination of coastal bays by PAHs. Results obtained through traditional assessment tools were compared with those obtained by FCM, which showed greater qualitative detail. Although Fuzzy Logic does not produce quantitative interpretations, its application generates adequate data to avoid biased inference of PAH contamination sources. The application of the method in the analysis of the sediment cores was successful and most layers showed OCPs and PBDEs values below the MQL. PCBs values ranged from

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