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Differentiation of mixtures of monovarietal olive oils by mid-infrared spectroscopy and chemometrics

机译:用中红外光谱法和化学计量学鉴别单品种橄榄油的混合物

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摘要

Fourier transform infrared (FT-IR) spectroscopy in combination with chemometric techniques has become a useful tool for authenticity determination of extra-virgin olive oils. Spectroscopic analysis of monovarietal extra-virgin olive oils obtained from three different olive cultivars (Erkence, Ayvalik and Nizip) and mixtures (Erkence-Nizip and Ayvalik-Nizip) of monovarietal olive oils was performed with an FT-IR spectrometer equipped with a ZnSe attenuated total reflection sample accessory and a deuterated tri-glycine sulfate detector. Using spectral data, principal component analysis successfully classified each cultivar and differentiated the mixtures from pure mono-varietal oils. Quantification of two different monovarietal oil mixtures (2-20%) is achieved using partial least square (PLS) regression models. Correlation coefficients (R2) of the proposed PLS regression models are 0.94 and 0.96 for the Erkence-Nizip and Ayvalik-Nizip mixtures, respectively. Cross-validation was applied to check the goodness of fit for the PLS regression models, and R 2 of the cross-validation was determined as 0.84 and 0.91, respectively, for the two mixtures.
机译:傅里叶变换红外(FT-IR)光谱与化学计量学技术的结合已成为测定特级初榨橄榄油真伪的有用工具。使用配备了ZnSe减毒剂的FT-IR光谱仪对从三种不同的橄榄品种(Erkence,Ayvalik和Nizip)以及混合物的混合物(Erkence-Nizip和Ayvalik-Nizip)中获得的单品种特级初榨橄榄油进行光谱分析全反射样品附件和氘化三甘氨酸硫酸盐检测器。利用光谱数据,主成分分析成功地对每个品种进行了分类,并从纯单品种油中区分了混合物。使用偏最小二乘(PLS)回归模型可对两种不同的单品种混合油(2-20%)进行定量。对于Erkence-Nizip和Ayvalik-Nizip混合物,所提出的PLS回归模型的相关系数(R2)分别为0.94和0.96。应用交叉验证检查PLS回归模型的拟合优度,两种混合物的交叉验证的R 2分别确定为0.84和0.91。

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