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

•RS and ATR-IR were firstly applied to determine TAC and TPC in Chinese rice wine.•Models based on RS and ATR-IR were systemically compared and discussed.•Combination of RS and ATR-IR were firstly used to predict TAC and TPC in wine. The application of attenuated total reflectance infrared spectrosc...

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Veröffentlicht in:Food chemistry 2016-03, Vol.194, p.671-679
Hauptverfasser: Wu, Zhengzong, Xu, Enbo, Long, Jie, Pan, Xiaowei, Xu, Xueming, Jin, Zhengyu, Jiao, Aiquan
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container_end_page 679
container_issue
container_start_page 671
container_title Food chemistry
container_volume 194
creator Wu, Zhengzong
Xu, Enbo
Long, Jie
Pan, Xiaowei
Xu, Xueming
Jin, Zhengyu
Jiao, Aiquan
description •RS and ATR-IR were firstly applied to determine TAC and TPC in Chinese rice wine.•Models based on RS and ATR-IR were systemically compared and discussed.•Combination of RS and ATR-IR were firstly used to predict TAC and TPC in wine. 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.
doi_str_mv 10.1016/j.foodchem.2015.08.071
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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. 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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. 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subjects Antioxidants - analysis
Chinese rice wine
Data fusion
Least-Squares Analysis
Models, Chemical
Oryza
Phenols - analysis
Principal Component Analysis
Spectrum Analysis
Support Vector Machine
Total antioxidant capacity
Total phenolic content
Wine - analysis
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
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