Determination of total polyphenols content in green tea using FT-NIR spectroscopy and different PLS algorithms

Quansheng Chen, Jiewen Zhao, Muhua Liu, Jianrong Cai, Jianhua Liu
Journal of Pharmaceutical and Biomedical Analysis 2008 February 13, 46 (3): 568-73
This paper attempted the feasibility to determine content total polyphenols content in green tea with near infrared (NIR) spectroscopy coupled with an appropriate multivariate calibration method. Partial least squares (PLS), interval PLS (iPLS) and synergy interval PLS (siPLS) algorithms were performed comparatively to calibrate regression model. The number of PLS components and the number of intervals were optimized according to root mean square error of cross-validation (RMSECV) in calibration set. The performance of the final model was evaluated according to root mean square error of prediction (RMSEP) and correlation coefficient (R) in prediction set. Experimental results showed that the performance of siPLS model is the best in contrast to PLS and iPLS. The optimal model was achieved with R=0.9583 and RMSEP=0.7327 in prediction set. This study demonstrated that NIR spectroscopy with siPLS algorithm could be used successfully to analysis of total polyphenols content in green tea, and revealed superiority of siPLS algorithm in contrast with other multivariate calibration methods.

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