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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Characterization of Gasoline by Raman Spectroscopy with Chemometric Analysis

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Author(s):
Ardila, Jorge Armando ; Felipe Soares, Frederico Luis ; dos Santos Farias, Marco Antonio ; Carneiro, Renato Lajarim
Total Authors: 4
Document type: Journal article
Source: Analytical Letters; v. 50, n. 7, p. 1126-1138, 2017.
Web of Science Citations: 4
Abstract

A rapid Raman spectroscopy protocol is reported to classify gasoline according to its distributor and to identify and quantify common adulterants. Gasoline from three distributors was collected from 19 stations in SAo Paulo, Brazil. Principal component analysis (PCA) showed specific clusters for each distributor, and partial least squares discriminant analysis (PLS-DA) correctly identified the origin of the samples. To evaluate the technique for the identification and quantification of the adulterants, authentic samples from each distributor were fortified at levels from 2.5 up to 25.0% (v/v) using ethanol, methanol, toluene, and turpentine to obtain 120 altered samples. PCA showed clear separation among the samples with the adulterants and PLS-DA precisely identified the adulterants (478 in 480 predictions by cross-validation), irrespective of the distributor and the concentration. One classification model was used to characterize all distributors. To quantify the adulterants, 36 multivariate calibration models were constructed using partial least squares (PLS), interval PLS, and PLS genetic algorithm for each distributor and for each adulterant. Cross-validation errors of less than 5.0% were obtained for all adulterants regardless of the distributor. Raman spectroscopy and multivariate analysis were shown to be powerful for rapid and inexpensive for the characterization of gasoline origin and the identification and quantification of common adulterants. (AU)

FAPESP's process: 10/16520-5 - Application of calibration chemometrics methods and multivariate curve resolution in Raman spectroscopy for qualitative, quantitative and polymorphism analyses in medicines
Grantee:Renato Lajarim Carneiro
Support Opportunities: Regular Research Grants