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Chemical authentication of extra virgin olive oil varieties by supervised chemometric procedures

机译:通过监督化学计量程序对特级初榨橄榄油品种进行化学认证

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This work has focused on discriminating extra virgin olive oils from Sabina (Lazio, Italy) by olive fruit variety (cultivar). A set of oils from five of the most widespread cultivars (Carboncella, Frantoio, Leccino, Moraiolo, and Pendolino) in this geographical area was analyzed for chemical composition using only the Official Analytical Methods, recognized for the quality control and commercial classification of this product. The obtained data set was converted into a computer-compatible format, and principal component analysis (PCA) and a method based on the Fisher F ratio were used to reduce the number of variables without a significant loss of chemical information. Then, to differentiate these samples, two supervised chemometric procedures were applied to process the experimental data: linear discriminant analysis (LIDA) and artificial neural network (ANN) using the back-propagation algorithm. It was found that both of these techniques were able to generalize and correctly predict all of the samples in the test set. However, these results were obtained using 10 variables for LDA and 6 (the major fatty acid percentages, determined by a single gas chromatogram) for ANN, which, in this case, appears to provide a better prediction ability and a simpler chemical analysis. Finally, it is pointed out that, to achieve the correct authentication of all samples, the selected training set must be representative of the whole data set.
机译:这项工作的重点是通过橄榄果实品种(栽培品种)区分来自Sabina(意大利拉齐奥)的特级初榨橄榄油。仅使用官方分析方法分析了该地理区域中五个最普遍的品种(Carboncella,Frantoio,Leccino,Moraiolo和Pendolino)中的一组油的化学成分,这些油因其质量控制和商业分类而得到认可。将获得的数据集转换为计算机兼容的格式,并使用主成分分析(PCA)和基于Fisher F比的方法来减少变量的数量,而不会明显丢失化学信息。然后,为了区分这些样品,使用了两种监督化学计量程序来处理实验数据:使用反向传播算法的线性判别分析(LIDA)和人工神经网络(ANN)。发现这两种技术都能够概括和正确预测测试集中的所有样本。但是,这些结果是使用LDA的10个变量和ANN的6个(主要脂肪酸百分比,由单个气相色谱法测定)变量获得的,在这种情况下,这似乎提供了更好的预测能力和更简单的化学分析。最后,要指出的是,为了实现所有样本的正确认证,所选的训练集必须代表整个数据集。

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