Document Detail

Detection of adulteration in hydrated ethyl alcohol fuel using infrared spectroscopy and supervised pattern recognition methods.
MedLine Citation:
PMID:  22483888     Owner:  NLM     Status:  In-Data-Review    
This paper proposes an analytical method to detect adulteration of hydrated ethyl alcohol fuel based on near infrared (NIR) and middle infrared (MIR) spectroscopies associated with supervised pattern recognition methods. For this purpose, linear discriminant analysis (LDA) was employed to build a classification model on the basis of a reduced subset of wavenumbers. For variable selection, three techniques are considered, namely the successive projection algorithm (SPA), the genetic algorithm (GA) and a stepwise formulation (SW). For comparison, models based on partial least squares discriminant analysis (PLS-DA) were also employed using full-spectrum. The method was validated in a case study involving the classification of 181 hydrated ethyl alcohol fuel samples, which were divided into three different classes: (1) authentic samples; (2) samples adulterated with water and (3) samples contaminated with methanol. LDA/GA and PLS-DA models were found to be the best methods for classifying the spectral data obtained in NIR region, which achieved a correct prediction rate of 100% in the test set, while the LDA/SPA and LDA/SW were correctly classified at 84.4% and 97.8%, respectively. For MIR data, all models (PLS-DA and LDA coupled with the SW, SPA and GA) employed in this study correctly classified all samples in the test set.
Adenilton Camilo Silva; Liliana Fátima Bezerra Lira Pontes; Maria Fernanda Pimentel; Márcio José Coelho Pontes
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Publication Detail:
Type:  Journal Article     Date:  2012-02-04
Journal Detail:
Title:  Talanta     Volume:  93     ISSN:  1873-3573     ISO Abbreviation:  Talanta     Publication Date:  2012 May 
Date Detail:
Created Date:  2012-04-09     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  2984816R     Medline TA:  Talanta     Country:  Netherlands    
Other Details:
Languages:  eng     Pagination:  129-34     Citation Subset:  IM    
Copyright Information:
Copyright © 2012 Elsevier B.V. All rights reserved.
Universidade Federal da Paraíba, Departamento de Química, João Pessoa, PB, Brazil.
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