title: Discrimination of edible oils and fats by combination of multivariate pattern recognition and FT-IR spectroscopy: a comparative study between different modeling methods.
abstract: By using FT-IR spectroscopy, many researchers from different disciplines enrich the experimental complexity of their research for obtaining more precise information. Moreover chemometrics techniques have boosted the use of IR instruments. In the present study we aimed to emphasize on the power of FT-IR spectroscopy for discrimination between different oil samples (especially fat from vegetable oils). Also our data were used to compare the performance of different classification methods. FT-IR transmittance spectra of oil samples (Corn, Colona, Sunflower, Soya, Olive, and Butter) were measured in the wave-number interval of 450-4000 cm(-1). Classification analysis was performed utilizing PLS-DA, interval PLS-DA, extended canonical variate analysis (ECVA) and interval ECVA methods. The effect of data preprocessing by extended multiplicative signal correction was investigated. Whilst all employed method could distinguish butter from vegetable oils, iECVA resulted in the best performances for calibration and external test set with 100% sensitivity and specificity.
authors.affiliation: Medicinal and Natural Products Chemistry Research Center, Shiraz University of Medical Sciences, Shiraz, Iran.
authors.forename: Katayoun
authors.initials: K
authors.lastname: Javidnia
authors.forename: Maryam
authors.initials: M
authors.lastname: Parish
authors.forename: Sadegh
authors.initials: S
authors.lastname: Karimi
authors.forename: Bahram
authors.initials: B
authors.lastname: Hemmateenejad
mesh_terms: D016002:Discriminant Analysis; D005223:Fats / Q000032:analysis*; D016018:Least-Squares Analysis; D008956:Models, Chemical; D015999:Multivariate Analysis; D010938:Plant Oils / Q000032:analysis*; D025341:Principal Component Analysis; D017550:Spectroscopy, Fourier Transform Infrared
chemical_list: D005223:Fats; D010938:Plant Oils