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Application of Functional Data Analysis and FTIR-ATR Spectroscopy to Discriminate Wine Spirits Ageing Technologies
Mathematics ( IF 2.3 ) Pub Date : 2020-06-02 , DOI: 10.3390/math8060896
Ofélia Anjos , Miguel Martínez Comesaña , Ilda Caldeira , Soraia Inês Pedro , Pablo Eguía Oller , Sara Canas

Fourier transform infrared spectroscopy (FTIR) with Attenuated Total Reflection (ATR) combined with functional data analysis (FDA) was applied to differentiate aged wine spirits according to the ageing technology (traditional using 250 L wooden barrels versus alternative using micro-oxygenation and wood staves applied in 1000 L stainless steel tanks), the wood species used (chestnut and oak), and the ageing time (6, 12, and 18 months). For this purpose, several features of the wine spirits were examined: chromatic characteristics resulting from the CIELab method, total phenolic index, concentrations of furfural, ellagic acid, vanillin, and coniferaldehyde, and total content of low molecular weight phenolic compounds determined by HPLC. FDA applied to spectral data highlighted the differentiation between all groups of samples, confirming the differentiation observed with the analytical parameters measured. All samples in the test set were differentiated and correctly assigned to the aged wine spirits by FDA. The FTIR-ATR spectroscopy combined with FDA is a powerful methodology to discriminate wine spirits resulting from different ageing technologies.

中文翻译:

应用功能数据分析和FTIR-ATR光谱技术来区分酒的陈酿技术

傅里叶变换红外光谱(FTIR)与衰减全反射(ATR)结合功能数据分析(FDA)被用于根据陈年技术区分陈年的烈酒(传统使用250升木桶,而替代方法是使用微氧化和木条) (在1000 L不锈钢罐中使用),使用的木材种类(栗木和橡木)以及陈化时间(6、12和18个月)。为此,检查了白酒的一些特征:CIELab方法产生的色度特征,总酚指数,糠醛,鞣花酸,香兰素和松柏树醛的浓度,以及通过HPLC测定的低分子量酚化合物的总含量。FDA对光谱数据的应用突显了所有样品组之间的区别,用测量的分析参数确认观察到的差异。FDA对测试集中的所有样品进行了区分,并正确分配给了陈年的烈酒。FTIR-ATR光谱仪与FDA结合使用,是一种区分不同陈酿技术产生的烈酒的有效方法。
更新日期:2020-06-02
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