Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN

Detalhes bibliográficos
Autor(a) principal: Sousa, Renato Ribeiro de
Data de Publicação: 2015
Tipo de documento: Dissertação
Idioma: por
Título da fonte: Repositório Institucional da UFG
Texto Completo: http://repositorio.bc.ufg.br/tede/handle/tede/5539
Resumo: In this paper was performed a characterization of the solar protectors avobenzone and octyl methoxycinnamate and the assignments of its second order coupling. The avobenzone photostability was evaluated in different types of solvents, concentrations and time exposition to UV light. Nevertheless, it was measured the radiation absorption on near and medium infrared in four commercial solar protectors, wherein only one of them claims in its package the guarantee of such protection. The characterization of the solar protector sctructure was made by ¹H NMR using a Bucker Avance III 500 spectrometer. It was used a Gaussian 09 program to calculate and optimize the most stable molecule structure and the coupling constants of protons and the WinDNMR to simulate the theoretical spectra from the data obtained by the calculations. The photostability of the avobenzone was determined by irradiating for 5, 10, 15 and 20 minutes, under a UV lamp, solutions of avobenzone in chloroform, methanol, acetone and acetonitrile in concentrations of 5,32x10-2 mol/L and 1,6x10-3 mol/L, monitoring the alterations occurred by 1H NMR. The absorption in the near and middle infrared regions was made in a PerkinElmer Frontier Dual Range FT spectrometer, where the sample was directly deposited into the equipment, without the need of previous treatment. The theoretical calculation showed itself an important tool to the attribution of second order systems, given that is not possible to manually determine the coupling constant values in this kind of system. The avobenzone presented itself photoinstable in the solution with concentration 1,6 x 103 mol/L, and in acetonitrile. On other solvents the photoinstability wasn’t observed. In the others commercial solar protectors showed similar absorption on the near and middle infrared, not existing significative difference between the product that declared having as a selling point this kind of absorption and the rest, being possible to assert that this information is used in its label for commercial reasons, not being characteristic of quality among the other products.
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spelling Queiroz Júnior, Luiz Henrique Kenghttp://buscatextual.cnpq.br/buscatextual/visualizacv.do?id=K4141331D0Queiroz Júnior, Luiz Henrique KengLacerda Júnior, ValdemarVaz, Boniek Gontijohttp://buscatextual.cnpq.br/buscatextual/visualizacv.do?id=K4268397D5Sousa, Renato Ribeiro de2016-05-06T11:10:17Z2015-08-28SOUSA, R. R. Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN. 2015. 70 f. Dissertação (Mestrado em Química) - Universidade Federal de Goiás, Goiânia, 2015.http://repositorio.bc.ufg.br/tede/handle/tede/5539In this paper was performed a characterization of the solar protectors avobenzone and octyl methoxycinnamate and the assignments of its second order coupling. The avobenzone photostability was evaluated in different types of solvents, concentrations and time exposition to UV light. Nevertheless, it was measured the radiation absorption on near and medium infrared in four commercial solar protectors, wherein only one of them claims in its package the guarantee of such protection. The characterization of the solar protector sctructure was made by ¹H NMR using a Bucker Avance III 500 spectrometer. It was used a Gaussian 09 program to calculate and optimize the most stable molecule structure and the coupling constants of protons and the WinDNMR to simulate the theoretical spectra from the data obtained by the calculations. The photostability of the avobenzone was determined by irradiating for 5, 10, 15 and 20 minutes, under a UV lamp, solutions of avobenzone in chloroform, methanol, acetone and acetonitrile in concentrations of 5,32x10-2 mol/L and 1,6x10-3 mol/L, monitoring the alterations occurred by 1H NMR. The absorption in the near and middle infrared regions was made in a PerkinElmer Frontier Dual Range FT spectrometer, where the sample was directly deposited into the equipment, without the need of previous treatment. The theoretical calculation showed itself an important tool to the attribution of second order systems, given that is not possible to manually determine the coupling constant values in this kind of system. The avobenzone presented itself photoinstable in the solution with concentration 1,6 x 103 mol/L, and in acetonitrile. On other solvents the photoinstability wasn’t observed. In the others commercial solar protectors showed similar absorption on the near and middle infrared, not existing significative difference between the product that declared having as a selling point this kind of absorption and the rest, being possible to assert that this information is used in its label for commercial reasons, not being characteristic of quality among the other products.Nesse trabalho foi realizada a caracterização dos filtros solares avobenzona e metoxinamato de octila, e as atribuições de seus acoplamentos de segunda ordem. A fotoestabilidade da avobenzona foi avaliada em diferentes tipos de solventes, concentrações e tempos de exposições à luz UV. Além disso, foi medida a absorção da radiação no infravermelho próximo e médio em quatro protetores solares comerciais, sendo que, somente um deles declara em sua embalagem a garantia de tal proteção. A caracterização das estruturas dos filtros solares foi feita por RMN de 1H utilizando um espectrômetro Bruker Avance III 500. Utilizou-se os programas Gaussian 09 para calcular e otimizar a estrutura mais estável da molécula e as constantes de acoplamento dos hidrogênios, e o WinDNMR para simular a partir dos dados obtidos pelo cálculo os espectros teóricos. A fotoestabilidade da avobenzona foi determinada irradiando por 5, 10, 15 e 20 minutos, sob uma lâmpada UV, soluções de avobenzona em clorofórmio, metanol, acetona e acetonitrila nas concentrações de 5,32 x 10-2 mol/L e 1,6 x 10-3 mol/L, monitorando as alterações ocorridas por RMN de 1H. Já a absorção na região do infravermelho próximo e médio foi feita em um espectrômetro PerkinElmer Frontier Dual Range FT, onde a amostra foi depositada diretamente no equipamento sem necessidade de tratamento prévio. O cálculo teórico se mostrou uma importante ferramenta para a atribuição de sistemas de segunda ordem, já que não é possível determinar manualmente os valores das constantes de acoplamento nesse tipo de sistema. Já a avobenzona se apresentou fotoinstável na solução de concentração 1,6 x 10-3 mol/L e em acetonitrila. Nos demais solventes a fotoinstabilidade não foi observada. Já os protetores solares comercias apresentaram absorções semelhantes da radiação no infravermelho próximo e médio, não havendo diferença significativa entre o produto que declarou ter como diferencial esse tipo de absorção e os demais, podendo afirmar que essa informação é utilizada em seu rótulo por questões comerciais, não sendo um diferencial de qualidade entre os demais produtos.Submitted by Marlene Santos (marlene.bc.ufg@gmail.com) on 2016-05-05T19:02:00Z No. of bitstreams: 2 Dissertação - Renato Ribeiro de Sousa - 2015.pdf: 3128241 bytes, checksum: bca24056dbea9a9bcc77e3576d3d0d76 (MD5) license_rdf: 19874 bytes, checksum: 38cb62ef53e6f513db2fb7e337df6485 (MD5)Approved for entry into archive by Luciana Ferreira (lucgeral@gmail.com) on 2016-05-06T11:10:17Z (GMT) No. of bitstreams: 2 Dissertação - Renato Ribeiro de Sousa - 2015.pdf: 3128241 bytes, checksum: bca24056dbea9a9bcc77e3576d3d0d76 (MD5) license_rdf: 19874 bytes, checksum: 38cb62ef53e6f513db2fb7e337df6485 (MD5)Made available in DSpace on 2016-05-06T11:10:17Z (GMT). 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dc.title.por.fl_str_mv Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN
title Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN
spellingShingle Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN
Sousa, Renato Ribeiro de
Filtro solar
Avobenzona
Fotoestabilidade
Cálculos teóricos
Solar protector
Avobenzone
Photostability
Theoretical calculations
CIENCIAS EXATAS E DA TERRA::QUIMICA
title_short Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN
title_full Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN
title_fullStr Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN
title_full_unstemmed Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN
title_sort Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN
author Sousa, Renato Ribeiro de
author_facet Sousa, Renato Ribeiro de
author_role author
dc.contributor.advisor1.fl_str_mv Queiroz Júnior, Luiz Henrique Keng
dc.contributor.advisor1Lattes.fl_str_mv http://buscatextual.cnpq.br/buscatextual/visualizacv.do?id=K4141331D0
dc.contributor.referee1.fl_str_mv Queiroz Júnior, Luiz Henrique Keng
dc.contributor.referee2.fl_str_mv Lacerda Júnior, Valdemar
dc.contributor.referee3.fl_str_mv Vaz, Boniek Gontijo
dc.contributor.authorLattes.fl_str_mv http://buscatextual.cnpq.br/buscatextual/visualizacv.do?id=K4268397D5
dc.contributor.author.fl_str_mv Sousa, Renato Ribeiro de
contributor_str_mv Queiroz Júnior, Luiz Henrique Keng
Queiroz Júnior, Luiz Henrique Keng
Lacerda Júnior, Valdemar
Vaz, Boniek Gontijo
dc.subject.por.fl_str_mv Filtro solar
Avobenzona
Fotoestabilidade
Cálculos teóricos
topic Filtro solar
Avobenzona
Fotoestabilidade
Cálculos teóricos
Solar protector
Avobenzone
Photostability
Theoretical calculations
CIENCIAS EXATAS E DA TERRA::QUIMICA
dc.subject.eng.fl_str_mv Solar protector
Avobenzone
Photostability
Theoretical calculations
dc.subject.cnpq.fl_str_mv CIENCIAS EXATAS E DA TERRA::QUIMICA
description In this paper was performed a characterization of the solar protectors avobenzone and octyl methoxycinnamate and the assignments of its second order coupling. The avobenzone photostability was evaluated in different types of solvents, concentrations and time exposition to UV light. Nevertheless, it was measured the radiation absorption on near and medium infrared in four commercial solar protectors, wherein only one of them claims in its package the guarantee of such protection. The characterization of the solar protector sctructure was made by ¹H NMR using a Bucker Avance III 500 spectrometer. It was used a Gaussian 09 program to calculate and optimize the most stable molecule structure and the coupling constants of protons and the WinDNMR to simulate the theoretical spectra from the data obtained by the calculations. The photostability of the avobenzone was determined by irradiating for 5, 10, 15 and 20 minutes, under a UV lamp, solutions of avobenzone in chloroform, methanol, acetone and acetonitrile in concentrations of 5,32x10-2 mol/L and 1,6x10-3 mol/L, monitoring the alterations occurred by 1H NMR. The absorption in the near and middle infrared regions was made in a PerkinElmer Frontier Dual Range FT spectrometer, where the sample was directly deposited into the equipment, without the need of previous treatment. The theoretical calculation showed itself an important tool to the attribution of second order systems, given that is not possible to manually determine the coupling constant values in this kind of system. The avobenzone presented itself photoinstable in the solution with concentration 1,6 x 103 mol/L, and in acetonitrile. On other solvents the photoinstability wasn’t observed. In the others commercial solar protectors showed similar absorption on the near and middle infrared, not existing significative difference between the product that declared having as a selling point this kind of absorption and the rest, being possible to assert that this information is used in its label for commercial reasons, not being characteristic of quality among the other products.
publishDate 2015
dc.date.issued.fl_str_mv 2015-08-28
dc.date.accessioned.fl_str_mv 2016-05-06T11:10:17Z
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dc.identifier.citation.fl_str_mv SOUSA, R. R. Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN. 2015. 70 f. Dissertação (Mestrado em Química) - Universidade Federal de Goiás, Goiânia, 2015.
dc.identifier.uri.fl_str_mv http://repositorio.bc.ufg.br/tede/handle/tede/5539
identifier_str_mv SOUSA, R. R. Caracterização e avaliação da fotoestabilidade do filtro solar butil metoxidibenzoilmetano (avobenzona) através de IV e RMN. 2015. 70 f. Dissertação (Mestrado em Química) - Universidade Federal de Goiás, Goiânia, 2015.
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