首页> 美国卫生研究院文献>International Journal of Analytical Chemistry >Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression
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Determination of the Degree of Degradation of Frying Rapeseed Oil Using Fourier-Transform Infrared Spectroscopy Combined with Partial Least-Squares Regression

机译:傅里叶变换红外光谱结合偏最小二乘回归法测定菜籽油的降解程度

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摘要

This rapid method for determining the degree of degradation of frying rapeseed oils uses Fourier-transform infrared (FTIR) spectroscopy combined with partial least-squares (PLS) regression. One hundred and fifty-six frying oil samples that degraded to different degrees by frying potatoes were scanned by an FTIR spectrometer using attenuated total reflectance (ATR). PLS regression with full cross validation was used for the prediction of acid value (AV) and total polar compounds (TPC) based on raw, first, and second derivative FTIR spectra (4000–650 cm−1). The precise calibration model based on the second derivative FTIR spectra shows that the coefficients of determination for calibration (R 2) and standard errors of cross validation (SECV) were 0.99 and 0.16 mg KOH/g and 0.98 and 1.17% for AV and TPC, respectively. The accuracy of the calibration model, tested using the validation set, yielded standard errors of prediction (SEP) of 0.16 mg KOH/g and 1.10% for AV and TPC, respectively. Therefore, the degradation of frying oils can be accurately measured using FTIR spectroscopy combined with PLS regression.
机译:这种确定油炸菜籽油降解程度的快速方法是使用傅立叶变换红外(FTIR)光谱结合偏最小二乘(PLS)回归技术。通过FTIR光谱仪使用衰减的全反射率(ATR)扫描了156个因油炸马铃薯而降解到不同程度的油炸油样品。基于原始,一阶和二阶FTIR光谱(4000–650 cm -1 ),使用具有全交叉验证的PLS回归预测酸值(AV)和总极性化合物(TPC) 。基于二阶FTIR光谱的精确校准模型表明,校准的确定系数(R 2 )和交叉验证的标准误差(SECV)为0.99和0.16 andmg KOH / g和0.98, AV和TPC分别为1.17%。使用验证集进行测试的校准模型的准确性对AV和TPC的预测标准误差(SEP)分别为0.16 mg / KOH / g和1.10%。因此,使用FTIR光谱结合PLS回归可以精确地测量煎炸油的降解。

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