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Published on: October 5, 2016
Multiblock data applied in organic grape juice authentication by one-class classification OC-PLS
Carlos H Junges1, Celito C Guerra2, Adriano A Gomes1
1Laboratório de Quimiometria e Instrumentação Analítica (LAQIA), Instituto de Química, Universidade Federal do Rio Grande do Sul (UFRGS), Avenida Bento Gonçalves, 9500, Porto Alegre, Rio Grande do Sul (RS), CEP 91501-970, Brazil.
Abstract:
A new strategy has been developed to enhance the assessment of the authenticity of whole grape juice within the organic class. This approach is based on the analysis of data from different analytical sources. The novel method employs a multiblock regression technique, specifically the one-class partial least squares (OC-PLS) classifier, to establish a relationship between each predictor block and the response variable. Sequential calculations are performed after orthogonalization with respect to the preceding regression scores. The proposed method has demonstrated effectiveness in detecting targeted samples. The results achieved of the best models for the test set had rates of up to 100 % sensitivity, 89 % specificity, and 83 % accuracy. To compare with the multiblock models, the DD-SIMCA method was employed, but it yielded inferior results when applied to visible data. The multiblock approach proved to be efficient in evaluating from different datasets of varied sources to classification of organic grape juice.
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