Análise multivariada de dados aplicada a pesticidas

Detalhes bibliográficos
Autor(a) principal: Rosa, Marlon Erick Pereira
Data de Publicação: 2022
Tipo de documento: Trabalho de conclusão de curso
Idioma: por
Título da fonte: Repositório Institucional da Universidade Federal do Ceará (UFC)
Texto Completo: http://www.repositorio.ufc.br/handle/riufc/69871
Resumo: With the increase in population, the world demand for food grows vertiginously. To supply this need, human beings develop and sell products, known as pesticides, capable of inhibiting pests that devastate plantations. However, with the increasing production of these compounds, there is a need to monitor their physicochemical properties to delineate their reflexes with the environment and with the organisms present in it. Thus, this work aims to analyze the physical-chemical behavior of monitored pesticides in products for human consumption. For this, 246 pesticides were selected based on the Codex Alimentarius and Ordinance GM/MS Nº 888 and the influences caused by properties such as molar mass, water solubility, octanol-water partition coefficient, vapor pressure, polar surface area, molecular surface area and polarizability were tested by Principal Components Analysis (PCA) and Hierarchical Cluster Analysis (HCA). With HCA, the formation of six clusters can be observed, in which three clusters were formed by only one pesticide with atypical behavior (guazatine, cabosulfan, sulfuryl fluoride) and the remainder gathered pesticides with similar chemical behavior, even though they belong to different chemicals classes, such as the existing grouping among pesticides fenbutatin oxide, spinetoram, fenpicoxamide, afidopiropen and flubediamide. With PCA, the pesticides etofenprox, DDT and carbosulfan were grouped by their high octanol-water partition coefficient values, the pesticides fenbutatin oxide, spinetoram, fenpicoxamid, afidopyropen and flubendiamide were grouped by their high values of molar mass, molecular surface area and polarizability, the pesticides sulfuryl fluoride and bromomethane were grouped by high values of vapor pressure and the pesticide guazatine evidenced by its high value of solubility in water and polar surface area. With this, it was possible to estimate their chemical behavior and their dynamics with the environment.
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spelling Análise multivariada de dados aplicada a pesticidasPesticidasAnálise de componentes principaisAnálise de agrupamentos hierárquicosWith the increase in population, the world demand for food grows vertiginously. To supply this need, human beings develop and sell products, known as pesticides, capable of inhibiting pests that devastate plantations. However, with the increasing production of these compounds, there is a need to monitor their physicochemical properties to delineate their reflexes with the environment and with the organisms present in it. Thus, this work aims to analyze the physical-chemical behavior of monitored pesticides in products for human consumption. For this, 246 pesticides were selected based on the Codex Alimentarius and Ordinance GM/MS Nº 888 and the influences caused by properties such as molar mass, water solubility, octanol-water partition coefficient, vapor pressure, polar surface area, molecular surface area and polarizability were tested by Principal Components Analysis (PCA) and Hierarchical Cluster Analysis (HCA). With HCA, the formation of six clusters can be observed, in which three clusters were formed by only one pesticide with atypical behavior (guazatine, cabosulfan, sulfuryl fluoride) and the remainder gathered pesticides with similar chemical behavior, even though they belong to different chemicals classes, such as the existing grouping among pesticides fenbutatin oxide, spinetoram, fenpicoxamide, afidopiropen and flubediamide. With PCA, the pesticides etofenprox, DDT and carbosulfan were grouped by their high octanol-water partition coefficient values, the pesticides fenbutatin oxide, spinetoram, fenpicoxamid, afidopyropen and flubendiamide were grouped by their high values of molar mass, molecular surface area and polarizability, the pesticides sulfuryl fluoride and bromomethane were grouped by high values of vapor pressure and the pesticide guazatine evidenced by its high value of solubility in water and polar surface area. With this, it was possible to estimate their chemical behavior and their dynamics with the environment.Com o aumento populacional, a demanda mundial por alimento cresce vertiginosamente. Para suprir essa necessidade, o ser humano desenvolve e comercializa produtos, conhecidos como pesticidas, capazes de inibir pragas que devastam plantações. Porém, com a produção crescente desses compostos, há a necessidade de monitorar suas propriedades físico-químicas para delinear suas interações com o meio ambiente e com os organismos presentes nele. Assim, este trabalho tem o objetivo de analisar o comportamento físico-químico de pesticidas monitorados em produtos para consumo humano. Para isso, 246 pesticidas foram selecionados com base no Codex Alimentarius e Portaria GM/MS Nº 888 e as influências causadas por propriedades como massa molar, solubilidade em água, coeficiente de partição octanol-água, pressão de vapor, área superficial polar, área superficial molecular e polarizabilidade foram estudadas por Análise de Componentes Principais (PCA) e Análise de Agrupamentos Hierárquicos (HCA). Com a HCA, pode-se observar a formação de seis clusters, em que três clusters foram formados por apenas um pesticida com comportamento atípico (guazatina, cabosulfan, fluoreto de sulfurilo) e o restante reuniu pesticidas com comportamento químico semelhante, mesmo sendo de classes químicas diferentes, como o agrupamento existente entre os pesticidas óxido de fembutatina, spinetoram, fenpicoxamid, afidopyropen e flubendiamida. Com a PCA, os pesticidas etofenprox, DDT e carbosulfan foram agrupados pelos seus altos valores de coeficiente de partição octanol-água, os pesticidas óxido de fembutatina, spinetoram, fenpicoxamid, afidopyropen e flubendiamida foram agrupados pelos altos valores de massa molar, área superficial molecular e polarizabilidade, os pesticidas fluoreto de sulfurilo e bromometano foram agrupados pelos altos valores de pressão de vapor e o pesticida guazatina evidenciou-se pelo seu alto valor de solubilidade em água e área superficial polar. Com isso, foi possível estimar seus comportamentos químicos e suas dinâmicas com o ambiente.Lopes, Gisele SimoneLima, Ari Clecius Alves deRosa, Marlon Erick Pereira2022-12-23T11:25:00Z2022-12-23T11:25:00Z2022info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/bachelorThesisapplication/pdfROSA, Marlon Erick Pereira. Análise multivariada de dados aplicada a pesticidas. 2022. 59 f. Trabalho de Conclusão de Curso (Bacharelado em Química) - Universidade Federal do Ceará, Fortaleza, 2022.http://www.repositorio.ufc.br/handle/riufc/69871porreponame:Repositório Institucional da Universidade Federal do Ceará (UFC)instname:Universidade Federal do Ceará (UFC)instacron:UFCinfo:eu-repo/semantics/openAccess2022-12-23T11:28:10Zoai:repositorio.ufc.br:riufc/69871Repositório InstitucionalPUBhttp://www.repositorio.ufc.br/ri-oai/requestbu@ufc.br || repositorio@ufc.bropendoar:2024-09-11T18:36:03.878117Repositório Institucional da Universidade Federal do Ceará (UFC) - Universidade Federal do Ceará (UFC)false
dc.title.none.fl_str_mv Análise multivariada de dados aplicada a pesticidas
title Análise multivariada de dados aplicada a pesticidas
spellingShingle Análise multivariada de dados aplicada a pesticidas
Rosa, Marlon Erick Pereira
Pesticidas
Análise de componentes principais
Análise de agrupamentos hierárquicos
title_short Análise multivariada de dados aplicada a pesticidas
title_full Análise multivariada de dados aplicada a pesticidas
title_fullStr Análise multivariada de dados aplicada a pesticidas
title_full_unstemmed Análise multivariada de dados aplicada a pesticidas
title_sort Análise multivariada de dados aplicada a pesticidas
author Rosa, Marlon Erick Pereira
author_facet Rosa, Marlon Erick Pereira
author_role author
dc.contributor.none.fl_str_mv Lopes, Gisele Simone
Lima, Ari Clecius Alves de
dc.contributor.author.fl_str_mv Rosa, Marlon Erick Pereira
dc.subject.por.fl_str_mv Pesticidas
Análise de componentes principais
Análise de agrupamentos hierárquicos
topic Pesticidas
Análise de componentes principais
Análise de agrupamentos hierárquicos
description With the increase in population, the world demand for food grows vertiginously. To supply this need, human beings develop and sell products, known as pesticides, capable of inhibiting pests that devastate plantations. However, with the increasing production of these compounds, there is a need to monitor their physicochemical properties to delineate their reflexes with the environment and with the organisms present in it. Thus, this work aims to analyze the physical-chemical behavior of monitored pesticides in products for human consumption. For this, 246 pesticides were selected based on the Codex Alimentarius and Ordinance GM/MS Nº 888 and the influences caused by properties such as molar mass, water solubility, octanol-water partition coefficient, vapor pressure, polar surface area, molecular surface area and polarizability were tested by Principal Components Analysis (PCA) and Hierarchical Cluster Analysis (HCA). With HCA, the formation of six clusters can be observed, in which three clusters were formed by only one pesticide with atypical behavior (guazatine, cabosulfan, sulfuryl fluoride) and the remainder gathered pesticides with similar chemical behavior, even though they belong to different chemicals classes, such as the existing grouping among pesticides fenbutatin oxide, spinetoram, fenpicoxamide, afidopiropen and flubediamide. With PCA, the pesticides etofenprox, DDT and carbosulfan were grouped by their high octanol-water partition coefficient values, the pesticides fenbutatin oxide, spinetoram, fenpicoxamid, afidopyropen and flubendiamide were grouped by their high values of molar mass, molecular surface area and polarizability, the pesticides sulfuryl fluoride and bromomethane were grouped by high values of vapor pressure and the pesticide guazatine evidenced by its high value of solubility in water and polar surface area. With this, it was possible to estimate their chemical behavior and their dynamics with the environment.
publishDate 2022
dc.date.none.fl_str_mv 2022-12-23T11:25:00Z
2022-12-23T11:25:00Z
2022
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/bachelorThesis
format bachelorThesis
status_str publishedVersion
dc.identifier.uri.fl_str_mv ROSA, Marlon Erick Pereira. Análise multivariada de dados aplicada a pesticidas. 2022. 59 f. Trabalho de Conclusão de Curso (Bacharelado em Química) - Universidade Federal do Ceará, Fortaleza, 2022.
http://www.repositorio.ufc.br/handle/riufc/69871
identifier_str_mv ROSA, Marlon Erick Pereira. Análise multivariada de dados aplicada a pesticidas. 2022. 59 f. Trabalho de Conclusão de Curso (Bacharelado em Química) - Universidade Federal do Ceará, Fortaleza, 2022.
url http://www.repositorio.ufc.br/handle/riufc/69871
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language por
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dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv reponame:Repositório Institucional da Universidade Federal do Ceará (UFC)
instname:Universidade Federal do Ceará (UFC)
instacron:UFC
instname_str Universidade Federal do Ceará (UFC)
instacron_str UFC
institution UFC
reponame_str Repositório Institucional da Universidade Federal do Ceará (UFC)
collection Repositório Institucional da Universidade Federal do Ceará (UFC)
repository.name.fl_str_mv Repositório Institucional da Universidade Federal do Ceará (UFC) - Universidade Federal do Ceará (UFC)
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