title: Comparison between ATR-IR, Raman, concatenated ATR-IR and Raman spectroscopy for the determination of total antioxidant capacity and total phenolic content of Chinese rice wine.
abstract: The application of attenuated total reflectance infrared spectroscopy (ATR-IR), Raman spectroscopy (RS) and combination of ATR-IR and RS for measurements of total antioxidant capacity (TAC) and total phenolic content (TPC) of Chinese rice wine (CRW) were investigated in this study. Synergy interval partial least-squares (SiPLS), support vector machine (SVM) and principal component analysis (PCA) were applied to process the merged data from two individual instruments. It was observed that the performances of models based on the RS spectra were better than those based on the ATR-IR spectra. In addition, SVM models based on the efficient information extracted from ATR-IR and RS spectra were superior to PLS models based on the same information and PLS models based on ATR-IR or RS spectra. The overall results demonstrated that integrating ATR-IR and RS was possible and could improve the prediction accuracy of TAC and TPC in CRWs.
authors.affiliation: The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China; Synergetic Innovation Center of Food Safety and Nutrition, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China.
authors.forename: Zhengzong
authors.initials: Z
authors.lastname: Wu
authors.affiliation: The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China; Synergetic Innovation Center of Food Safety and Nutrition, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China.
authors.forename: Enbo
authors.initials: E
authors.lastname: Xu
authors.affiliation: The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China; Synergetic Innovation Center of Food Safety and Nutrition, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China.
authors.forename: Jie
authors.initials: J
authors.lastname: Long
authors.affiliation: The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China; Synergetic Innovation Center of Food Safety and Nutrition, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China.
authors.forename: Xiaowei
authors.initials: X
authors.lastname: Pan
authors.affiliation: The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China.
authors.forename: Xueming
authors.initials: X
authors.lastname: Xu
authors.affiliation: The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China; Synergetic Innovation Center of Food Safety and Nutrition, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China. Electronic address: jinlab2008@yahoo.com.
authors.forename: Zhengyu
authors.initials: Z
authors.lastname: Jin
authors.affiliation: The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China; Synergetic Innovation Center of Food Safety and Nutrition, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China. Electronic address: jiaoaq@jiangnan.edu.cn.
authors.forename: Aiquan
authors.initials: A
authors.lastname: Jiao
mesh_terms: D000975:Antioxidants / Q000032:analysis*; D016018:Least-Squares Analysis; D008956:Models, Chemical; D012275:Oryza; D010636:Phenols / Q000032:analysis*; D025341:Principal Component Analysis; D013057:Spectrum Analysis; D060388:Support Vector Machine; D014920:Wine / Q000032:analysis*
chemical_list: D000975:Antioxidants; D010636:Phenols
keywords: Chinese rice wine; Data fusion; Total antioxidant capacity; Total phenolic content