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Polyphenolic compositions of Basque natural ciders: A chemometric study

机译:巴斯克天然苹果酒中的多酚成分:化学计量学研究

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Polyphenolic compositions of Basque natural ciders were determined by high-performance liquid chromatography, with diode array detection following thiolysis, in order to differentiate ciders according to the geographical origin of the main raw material used for their elaboration. Fifty percent of the apples used for cidermaking in the Basque Country are imported from France or Galicia (N.W. Spain); this gives beverages of different chemical compositions and sensory qualities. A data set, consisting of 64 cider samples and 33 measured variables, was evaluated using multivariate chemometric techniques. A preliminary study of data structure was performed by cluster analysis and principal component analysis. Different classification systems for the two categories were obtained on the basis of the chemical data by applying several supervised pattern recognition procedures, such as linear discriminant analysis (LDA), K-nearest neighbours (KNN), soft independent modelling of class analogy (SIMCA), and multilayer feed-forward artificial neural networks (MLF-ANN). KNN, SIMCA and the MLF neural network provided complementary results: KNN allowed the correct classification of almost all the ciders of the Galician category, SIMCA provided a model for the ciders of the French category that excluded all ciders made with Galician apples (50% of raw material), and the neural network achieved a level of hits for the classification of the ciders obtained from French apples (50% of raw material) above 95%. Polyphenolic profiles of the ciders provide enough information to develop classification rules for identifying ciders according to the geographical origin of the raw material used for cidermaking.
机译:通过高效液相色谱法测定巴斯克天然苹果酒中的多酚成分,并在硫解后进行二极管阵列检测,以便根据用于制作苹果酒的主要原料的地理来源来区分苹果酒。巴斯克地区用于苹果酒制造的苹果有50%从法国或加利西亚(西班牙西北部)进口;这将产生具有不同化学成分和感官品质的饮料。使用多元化学计量学技术评估了由64个苹果酒样品和33个测量变量组成的数据集。通过聚类分析和主成分分析对数据结构进行了初步研究。根据化学数据,通过应用几种监督模式识别程序,例如线性判别分析(LDA),K近邻(KNN),类比软独立建模(SIMCA),获得了针对这两种类别的不同分类系统。 ,以及多层前馈人工神经网络(MLF-ANN)。 KNN,SIMCA和MLF神经网络提供了互补的结果:KNN可以对加利西亚类别的几乎所有苹果酒进行正确分类,SIMCA为法国类别的苹果酒提供了模型,其中排除了所有由加利西亚苹果制成的苹果酒(50%原材料),并且神经网络对从95%以上的法国苹果(原材料的50%)获得的苹果酒的分类达到了一定的成功率。苹果酒的多酚谱提供了足够的信息,可以根据苹果酒生产原料的地理来源制定分类规则来鉴定苹果酒。

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