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

Zhengzong Wu; Enbo Xu; Jie Long; Xiaowei Pan; Xueming Xu; Zhengyu Jin; Aiquan Jiao

doi:10.1016/j.foodchem.2015.08.071

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

Food Chem. 2016 Mar 1:194:671-9. doi: 10.1016/j.foodchem.2015.08.071. Epub 2015 Aug 20.

Authors

Zhengzong Wu¹, Enbo Xu¹, Jie Long¹, Xiaowei Pan¹, Xueming Xu², Zhengyu Jin³, Aiquan Jiao⁴

Affiliations

¹ 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.
² The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, 1800 Lihu Road, Wuxi 214122, China.
³ 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.
⁴ 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.

PMID: 26471606
DOI: 10.1016/j.foodchem.2015.08.071

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.

Keywords: Chinese rice wine; Data fusion; Total antioxidant capacity; Total phenolic content.

Publication types

Comparative Study
Research Support, Non-U.S. Gov't

MeSH terms

Antioxidants / analysis*
Least-Squares Analysis
Models, Chemical
Oryza*
Phenols / analysis*
Principal Component Analysis
Spectrum Analysis*
Support Vector Machine
Wine / analysis*

Substances

Antioxidants
Phenols