title: Multivariate qualitative analysis of banned additives in food safety using surface enhanced Raman scattering spectroscopy.
abstract: 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.
authors.affiliation: Key Laboratory of Multi-scale Manufacturing Technology, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714, PR China.
authors.forename: Shixuan
authors.initials: S
authors.lastname: He
authors.affiliation: Key Laboratory of Multi-scale Manufacturing Technology, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714, PR China.
authors.forename: Wanyi
authors.initials: W
authors.lastname: Xie
authors.affiliation: Key Laboratory of Multi-scale Manufacturing Technology, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714, PR China. Electronic address: zhangwei@cigit.ac.cn.
authors.forename: Wei
authors.initials: W
authors.lastname: Zhang
authors.affiliation: Department of Clinical Laboratory, Xinqiao Hospital, Third Military Medical University, Chongqing 400037, PR China.
authors.forename: Liqun
authors.initials: L
authors.lastname: Zhang
authors.affiliation: Department of Laboratory Medicine, Southwest Hospital, Third Military Medical University, Chongqing 400038, PR China.
authors.forename: Yunxia
authors.initials: Y
authors.lastname: Wang
authors.affiliation: Chongqing Academy of Chinese Meteria Medica, Chongqing 400065, PR China.
authors.forename: Xiaoling
authors.initials: X
authors.lastname: Liu
authors.affiliation: Key Laboratory of Multi-scale Manufacturing Technology, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714, PR China.
authors.forename: Yulong
authors.initials: Y
authors.lastname: Liu
authors.affiliation: Key Laboratory of Multi-scale Manufacturing Technology, Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Sciences, Chongqing 400714, PR China.
authors.forename: Chunlei
authors.initials: C
authors.lastname: Du
mesh_terms: D005503:Food Additives / Q000032:analysis*; D005504:Food Analysis / Q000379:methods*; D005506:Food Contamination / Q000032:analysis*; D009284:Naphthols / Q000032:analysis*; D012235:Rhodamines / Q000032:analysis*; D013059:Spectrum Analysis, Raman
chemical_list: D005503:Food Additives; D009284:Naphthols; D012235:Rhodamines; C024336:1-phenylazo-2-naphthol; C029773:rhodamine B
keywords: Discriminant partial least squares; Iteratively cubic spline fitting; Surface enhanced Raman scattering; The banned food additives