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Wavelength Selection for FT-NIR Spectroscopic Analysis of Protein in Chimonobambusa quadrangularis Shoot Based on iPLS and BiPLS Models

HUANG Wei,TIAN Feng-ling,LIU Zhen-yao,YANG Qiong,ZHAO Xiao-hui,YANG Ji-dong   

  1. 1. College of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715, China;
    2. College of Chemistry and Chemical Engineering, Yangtze Normal University, Chongqing 408100, China;
    3. College of Chemistry and Environmental Engineering, Chongqing Three Gorges University, Chongqing 404000, China
  • Online:2013-11-25 Published:2013-12-05

Abstract:

Objective: To select the characteristic wavelength bands for non-destructive analysis of proteins in
Chimonobambusa quadrangularis shoot by FT-NIR spectroscopy combined with interval partial least squares (iPLS) and
backward interval partial least squares (BiPLS). Methods: The full wavelength range was divided into 12 or 17 bands. PLS
models were developed based on the full wavelength range or on each band and then BiPLS models were built by optimized
combinations of various intervals. The models were evaluated by the mean square error of cross validation (RMSECV) and
root mean square error of prediction (RMSEP). Results: The iPLS and BiPLS models were both more effective than the PLS
models based on the full wavelength range and the BiPLS model was the best one. When 12 intervals were adopted, the
combination of 7 ([5, 3, 6, 12, 4, 2 and 11]) spectral intervals provided the best model showing a 0.321% RMSECV and a
0.218% RMSEP. The proposed method allowed rapid and non-destructive determination of proteins with less variables used
in the modeling and thus improved prediction accuracy.

Key words: near infrared spectroscopy, protein, Chimonobambusa quadrangularis, interval partial least squares, backward interval partial least squares, wavelength selection