Aplicações de métodos de classificação e calibração multivariada acoplados com técnicas espectroscópicas em amostras ambientais e alimentos

• Ano de defesa: 2011
• Autor(a) principal: Lima, Igor Campos de Almeida
• Orientador(a): Luna, Aderval Severino
• Banca de defesa: Dias, Ayres Guimarães , Senna, Lilian Ferreira de , Março, Paulo Henrique
• Tipo de documento: Dissertação
• Tipo de acesso: Acesso aberto
• Idioma: por
• Instituição de defesa: Universidade do Estado do Rio de Janeiro
• Programa de Pós-Graduação: Programa de Pós-Graduação em Engenharia Química
• Departamento: Centro de Tecnologia e Ciências::Instituto de Química
• País: BR
• Palavras-chave em Português: Métodos de calibração multivariada de segunda ordem; espectroscopia de infravermelho próximo; espectrofluorimetria, métodos de classificação; HPAs em água potável; amostras de suco de uva
• Palavras-chave em Inglês: Second-order of multivariate calibration methods; near infrared spectroscopy; spectrofluorimetry; classification methods; PAHs in tap water; grape juice samples
• Área do conhecimento CNPq: CNPQ::ENGENHARIAS::ENGENHARIA QUIMICA
• Link de acesso: http://www.bdtd.uerj.br/handle/1/11961

This research work describes two studies of chemometric methods employed for the quantification of polycyclic aromatic hydrocarbons PAHs (naphthalene, fluorene, phenanthrene and fluoranthene) in tap water using molecular fluorescence technique, and the classification and characterization of grape juice and its quality parameters by near infrared spectroscopy. The goal of the first study is the combined application of the second-order chemometric methods (N-PLS, U-PLS, U-PLS/RBL, PARAFAC) and spectrofluorimetry technique for direct determination of HPAs in tap water, aiming to contribute for the growth of knowledge about the potential of these methodologies as viable alternatives to the traditional univariate chromatographic determination. The second study aimed at the classification and determination of grape juice quality parameters, as relative density and total soluble solids, were measured with the aid of near infrared spectroscopy and chemometric methods. Several chemometric methods, such as HCA, PLS-DA, SVM-DA, SIMCA, were investigated for the classification of grape juice samples as the same time first-order multivariate calibration methods, such as PLS, iPLS, SVM-LS, were used for prediction of quality parameters. The guiding principle for the development of the studies herein described was the need for analytical methodologies with cost, execution time, ease of operation, and residue output better or lower than present day methods employed for the quantification of PAHs in tap water and the classification and characterization of grape juice sample and its quality parameters