title: Using near infrared spectroscopy to classify soybean oil according to expiration date.
abstract: A rapid and non-destructive methodology is proposed for the screening of edible vegetable oils according to conservation state expiration date employing near infrared (NIR) spectroscopy and chemometric tools. A total of fifty samples of soybean vegetable oil, of different brands andlots, were used in this study; these included thirty expired and twenty non-expired samples. The oil oxidation was measured by peroxide index. NIR spectra were employed in raw form and preprocessed by offset baseline correction and Savitzky-Golay derivative procedure, followed by PCA exploratory analysis, which showed that NIR spectra would be suitable for the classification task of soybean oil samples. The classification models were based in SPA-LDA (Linear Discriminant Analysis coupled with Successive Projection Algorithm) and PLS-DA (Discriminant Analysis by Partial Least Squares). The set of samples (50) was partitioned into two groups of training (35 samples: 15 non-expired and 20 expired) and test samples (15 samples 5 non-expired and 10 expired) using sample-selection approaches: (i) Kennard-Stone, (ii) Duplex, and (iii) Random, in order to evaluate the robustness of the models. The obtained results for the independent test set (in terms of correct classification rate) were 96% and 98% for SPA-LDA and PLS-DA, respectively, indicating that the NIR spectra can be used as an alternative to evaluate the degree of oxidation of soybean oil samples.
authors.affiliation: Laboratório de Química Analítica e Quimiometria, Centro de Ciências e Tecnologia, Universidade Estadual da Paraíba, 58.429-500 Campina Grande, PB, Brazil.
authors.forename: Gean Bezerra
authors.initials: GB
authors.lastname: da Costa
authors.affiliation: Laboratório de Química Analítica e Quimiometria, Centro de Ciências e Tecnologia, Universidade Estadual da Paraíba, 58.429-500 Campina Grande, PB, Brazil.
authors.forename: David Douglas Sousa
authors.initials: DD
authors.lastname: Fernandes
authors.affiliation: Departamento de Química, CCEN, Universidade Federal da Paraíba, 58.051-970 João Pessoa, PB, Brazil.
authors.forename: Adriano A
authors.initials: AA
authors.lastname: Gomes
authors.affiliation: Laboratório de Química Analítica e Quimiometria, Centro de Ciências e Tecnologia, Universidade Estadual da Paraíba, 58.429-500 Campina Grande, PB, Brazil.
authors.forename: Valber Elias
authors.initials: VE
authors.lastname: de Almeida
authors.affiliation: Laboratório de Química Analítica e Quimiometria, Centro de Ciências e Tecnologia, Universidade Estadual da Paraíba, 58.429-500 Campina Grande, PB, Brazil. Electronic address: germano.veras@pq.cnpq.br.
authors.forename: Germano
authors.initials: G
authors.lastname: Veras
mesh_terms: D016002:Discriminant Analysis; D016018:Least-Squares Analysis; D013024:Soybean Oil / Q000032:analysis* / Q000145:classification; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D013024:Soybean Oil
keywords: Classification; Conservation state; Discriminant Analysis by Partial Least Squares; Linear Discriminant Analysis; Successive Projection Algorithm