Equidistant combination wavelength screening and step-by-step phase-out method for the near-infrared spectroscopic analysis of serum urea nitrogen

Author:

Yang Yihui1,Lei Fenfen1,Zhang Jing1,Yao Lijun1,Chen Jiemei2,Pan Tao1

Affiliation:

1. Department of Optoelectronic Engineering, Jinan University, Huangpu Road West 601, Tianhe District, Guangzhou 510632, P. R. China

2. Department of Biological Engineering, Jinan University, Huangpu Road West 601, Tianhe District, Guangzhou 510632, P. R. China

Abstract

We applied near-infrared (NIR) spectroscopy with chemometrics for the rapid and reagent-free analysis of serum urea nitrogen (SUN). The modeling is based on the average effect of multiple sample partitions to achieve parameter selection with stability. A multiparameter optimization platform with Norris derivative filter–partial least squares (Norris-PLS) was developed to select the most suitable mode [Formula: see text], [Formula: see text], [Formula: see text]. Using equidistant combination PLS (EC-PLS) with four parameters (initial wavelength [Formula: see text], number of wavelengths [Formula: see text], number of wavelength gaps [Formula: see text] and latent variables LV), we performed wavelength screening after eliminating high-absorption wavebands. The optimal EC-PLS parameters were [Formula: see text][Formula: see text]nm, [Formula: see text], [Formula: see text] and [Formula: see text]. The root-mean-square error (SEP), correlation coefficient [Formula: see text] for prediction and ratio of performance-to-deviation (RPD) for validation were 1.03[Formula: see text]mmol[Formula: see text]L[Formula: see text], 0.992 and 7.6, respectively. We proposed the wavelength step-by-step phase-out PLS (WSP-PLS) to remove redundant wavelengths in the top 100 EC-PLS models with improved prediction performance. The combination of 19 wavelengths was identified as the optimal model for SUN. The SEP, [Formula: see text] and RPD in validation were 1.01[Formula: see text]mmol[Formula: see text]L[Formula: see text], 0.992 and 7.7, respectively. The prediction effect and wavelength complexity were better than those of EC-PLS. Our results showed that NIR spectroscopy combined with the EC-PLS and WSP-PLS methods enabled the high-precision analysis of SUN. WSP-PLS is a secondary optimization method that can further optimize any wavelength model obtained through other continuous or discrete strategies to establish a simple and better model.

Funder

Guangdong Science and Technology Department

Publisher

World Scientific Pub Co Pte Lt

Subject

Biomedical Engineering,Atomic and Molecular Physics, and Optics,Medicine (miscellaneous),Electronic, Optical and Magnetic Materials

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