Novel Spectral Interval Selection Method Based on Synchronous Two-Dimensional Correlation Spectroscopy

Abstract

Synchronous 2D correlation spectroscopy was first proposed to select informational spectral intervals in PLS calibration. The proposed method could extract the spectral intervals related to analyte. The results of its application to NIR/PLS determination of quercetin in extract of Ginkgo biloba leaves showed that the proposed method could find out an optimized region with which one could improve the performance of the corresponding PLS model, in terms of low prediction error, root mean square error of prediction (RMSEP), and comparing with the result obtained using whole spectra and interval PLS.

Keywords:

• Near-infrared spectroscopy
• Partial least-squares
• Quercetin
• Spectral interval selection
• Synchronous two-dimensional correlation spectroscopy

Notes

^a sample number.

^b standard deviation.

^c minimum.

^d maximum.