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首页> 外文期刊>Cogent Food & Agriculture >Investigation of adulteration of sunflower oil with thermally deteriorated oil using Fourier transform mid-infrared spectroscopy and chemometrics
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Investigation of adulteration of sunflower oil with thermally deteriorated oil using Fourier transform mid-infrared spectroscopy and chemometrics

机译：使用傅里叶变换中红外光谱和化学计量学研究葵花籽油与热降解油的掺假

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Fourier transform infrared spectroscopy based on attenuated total reflectance sampling technique, combined with multivariate analysis methods was used to monitor the adulteration of pure sunflower oil (SO) with thermally deteriorated oil (TDO). Contrary to published research, in this work, SO was thermally deteriorated in the absence of foodstuff. SO samples were exposed to temperatures between 125 and 225°C from 6 to 24?h. Quantification of adulteration of SO with TDO, based on principal components regression (PCR), partial least squares regression (PLS-R), and linear discriminant analysis (LDA) applied to mid-infrared spectra and to their first and second derivatives is reported for the first time. Infrared frequencies associated with the biochemical differences between TDO samples deteriorated in different conditions were investigated by principal component analysis (PCA). LDA was effective in the twofold classification presence/absence of TDO in adulterated SO (with 5%?V/V of less of TDO). It provided 93.7% correct classification for the calibration set and 91.3% correct classification when cross-validated. A detection limit of 1%?V/V of TDO in SO was determined. Investigation of an external set of samples allowed the evaluation of the predictability of the models. The regression coefficient (R ~(2)) for prediction was 0.95 and 0.96 and the RMSE was 2.1 and 1.9%?V/V when using the PCR or PLS-R models, respectively, and the first derivative of spectra. To the best of our knowledge, no investigation of adulteration of SO with TDO based on PCR, PLS-R, and LDA has been reported so far.
机译：基于衰减全反射采样技术的傅里叶变换红外光谱，结合多元分析方法，监测纯葵花籽油（SO）与热劣化油（TDO）的掺假。与已发表的研究相反，在这项工作中，在没有食物的情况下SO会热降解。 SO样品暴露在125至225℃的温度下6至24小时。据报道，基于主成分回归（PCR），偏最小二乘回归（PLS-R）和线性判别分析（LDA）应用于中红外光谱及其一阶和二阶导数，对TDO对SO的掺杂进行了定量分析。第一次。通过主成分分析（PCA）研究了在不同条件下劣化的TDO样品之间生化差异相关的红外频率。 LDA对掺假SO中TDO的双重分类存在/不存在有效（TDO少5％？V / V）。交叉验证时，它为校准集提供了93.7％的正确分类，并为91.3％的正确分类提供了正确的分类。确定SO中TDO的检出限为1％ΔV/ V。对外部样本集的研究可以评估模型的可预测性。当使用PCR或PLS-R模型以及光谱的一阶导数时，用于预测的回归系数（i R〜（2））分别为0.95和0.96，RMSE分别为2.1和1.9％ΔV/ V。据我们所知，到目前为止，尚未有关于基于PCR，PLS-R和LDA的TDO对SO掺假的研究。

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