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首页> 外文期刊>Food analytical methods >Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) Spectroscopy Combined with Chemometrics for Rapid Determination of Cold-Pressed Wheat Germ Oil Adulteration
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Attenuated Total Reflectance-Fourier Transform Infrared (ATR-FTIR) Spectroscopy Combined with Chemometrics for Rapid Determination of Cold-Pressed Wheat Germ Oil Adulteration

机译：衰减总反射率 - 傅里叶变换红外（ATR-FTIR）光谱结合化学计量学，用于快速测定冷压小麦胚芽掺杂物

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摘要

This paper describes the feasibility of attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy combined with multivariate data analyses for rapid determination of cold-pressed wheat germ oil (WGO) adulteration. Thirty-six pure edibleoils, as wellas 216 binary blends of WGO adulterated with cheaper refined oils, sunflower (SFO), and soybean oil (SBO) (1-50%) were analyzed by using ATR-FTIR spectroscopy in combination with PCA, LDA, SIMCA, and PLSR analyses. SIMCA models provide excellent classification for pure cold-pressed WGO and refined edible oil samples, with 95% significance level. The classification limits for detection of SFO and SBO adulterations in WGO were below 1%. Furthermore, a total of 100% of studied samples were correctly classified on the basis of their origin in calibration and in cross-validation by LDA models. Under the optimum conditions, the PLS-R plots of actual versus predicted values exhibited high linearity (R-2&0.9990). The content of SFO and SBO adulterants has been successively quantified using PLSR at levels &0.56% and &0.99% in an unknown mixture. RMSEC and RMSECV values for the binary mixtures of WGO-SFO were between 0.56-1.98% and 0.68-4.46%, for the binary mixtures of WGO-SBO were between 0.99-1.77% and 1.09-5.12%, respectively.
机译：本文介绍了减毒总反射率 - 傅里叶变换红外（ATR-FTIR）光谱与多元数据分析结合的可行性，以便快速测定冷压小麦胚芽油（WGO）掺杂。通过使用ATR-FTIR光谱与PCA，LDA结合使用ATR-FTIR光谱分析了三十六个纯粹的甜甜圈的WOLAS 216纯粹的WGO二进制混合物。 ，simca和plsr分析。 SIMCA型号为纯净的WOG和精制的食用油样品提供出色的分类，具有95％的显着性水平。 WGO中SFO和SBO掺杂的检测的分类限制低于1％。此外，总共100％的研究样本是在校准中的原点和LDA模型的交叉验证的基础上正确分类。在最佳条件下，实际与预测值的PLS-R曲线表现出高线性度（R-2＆amp; GT; 0.9990）。使用PLSR在水平＆amp; 0.56％和＆amp; 0.9％以未知的混合物中依次定量SFO和SBO掺杂剂的含量。 WGO-SFO的二元混合物的RMSEC和RMSECV值分别为0.56-1.98％和0.68-4.46％，对于WGO-SBO的二元混合物分别为0.99-1.77％和1.09-5.12％。

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