PLS-ATR-FTIR用于牛奶主要成分的快速测定
首发时间:2012-06-15
摘要:利用衰减全反射傅里叶红外光谱技术(ATR-FTIR)结合偏最小二乘法(PLS)实现牛奶成分的快速测定。考察了光谱预处理、主成分数对模型的影响,分别建立了牛奶中蛋白质、脂肪和乳糖的定量模型,蛋白质、脂肪和乳糖模型的校正集均方根误差(RMSEC) 分别为0.030、0.136、0.114,验证集均方根误差(RMSEP)分别为0.043、0.178、0.163。利用模型对预测集样品进行定量分析,预测值和实测值的相关系数(R2)分别为0.932、0.941、0.989。说明利用PLS-ATR-FTIR 对牛奶成分进行快速测定具有可行性。
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Rapid Analysis of Main Contents in Milk Based on PLS-ATR-FTIR
Abstract:Attenuated total reflectance fourier transform infrared spectroscopy (ATR-FTIR) combined with partial least squares (PLS) was employed to the rapid analysis of main contents in milk. The protein, fat and lactose quantitative models were established separately after preprocessing spectrum and selecting principal component scores (PCs).The root-mean-square-error of calibration (RMSEC) of the protein, fat and lactose quantitative models were 0.030、0.136、0.114, respectively, and the root-mean-square-error of prediction (RMSEP) were 0.043、0.178 、0.163, respectively. The quantitative models were validated for independent test samples, the correlation coefficients (R2) between the predicted values and actual values were 0.932、0.941、0.989, respectively. This indicated that PLS-ATR-FTIR would be a valid method for rapid analysis of main contents in milk.
Keywords: mid-infrared spectroscopy (MIR) milk quantitative model PLS
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