He Shixuan, Xie Wanyi, Zhang Wei, Zhang Liqun, Wang Yunxia, Liu Xiaoling, Liu Yulong, Du Chunlei
Key Laboratory of Multi-scale Manufacturing Technology, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714, PR China.
Key Laboratory of Multi-scale Manufacturing Technology, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2015 Feb 25;137:1092-9. doi: 10.1016/j.saa.2014.08.134. Epub 2014 Oct 6.
A novel strategy which combines iteratively cubic spline fitting baseline correction method with discriminant partial least squares qualitative analysis is employed to analyze the surface enhanced Raman scattering (SERS) spectroscopy of banned food additives, such as Sudan I dye and Rhodamine B in food, Malachite green residues in aquaculture fish. Multivariate qualitative analysis methods, using the combination of spectra preprocessing iteratively cubic spline fitting (ICSF) baseline correction with principal component analysis (PCA) and discriminant partial least squares (DPLS) classification respectively, are applied to investigate the effectiveness of SERS spectroscopy for predicting the class assignments of unknown banned food additives. PCA cannot be used to predict the class assignments of unknown samples. However, the DPLS classification can discriminate the class assignment of unknown banned additives using the information of differences in relative intensities. The results demonstrate that SERS spectroscopy combined with ICSF baseline correction method and exploratory analysis methodology DPLS classification can be potentially used for distinguishing the banned food additives in field of food safety.
一种将迭代三次样条拟合基线校正方法与判别偏最小二乘定性分析相结合的新策略，被用于分析食品中苏丹红 I 染料、罗丹明 B 等违禁食品添加剂以及水产养殖鱼类中孔雀石绿残留的表面增强拉曼散射（SERS）光谱。分别采用迭代三次样条拟合（ICSF）基线校正与主成分分析（PCA）以及判别偏最小二乘（DPLS）分类相结合的多变量定性分析方法，来研究 SERS 光谱预测未知违禁食品添加剂类别归属的有效性。PCA 不能用于预测未知样品的类别归属。然而，DPLS 分类可以利用相对强度差异信息来判别未知违禁添加剂的类别归属。结果表明，SERS 光谱结合 ICSF 基线校正方法和探索性分析方法 DPLS 分类，在食品安全领域有可能用于区分违禁食品添加剂。
