分析测试学报2025，Vol.44Issue(6)：1183-1189,7.DOI:10.12452/j.fxcsxb.25021385
Vis-NIR光谱无约束MW-PLS方法及其在血清胆红素分析的应用
Unconstrained MW-PLS Method for Vis-NIR Spectroscopy and Its Application in Serum Bilirubin Analysis
摘要
Abstract
Moving window-partial least squares(MW-PLS),using a constrained two-parameter search(initial wavelength,number of wavelengths)to traverse all sub-wavebands,is an effective waveband screening method of spectral analysis.In this study,MW-PLS was extended to uncon-strained parametric search,denoted as unconstrained MW-PLS(UMW-PLS),which contained for-ward and backward optimizations,and could select dual-waveband combinations.The visible-near infrared(Vis-NIR)spectral analysis models of serum bilirubin indicators—indirect bilirubin(IBil),direct bilirubin(DBil)and total bilirubin(TBil)were established by MW-PLS and UMW-PLS meth-ods,respectively.For each indicator,the selected optimal 2nd UMW-PLS and 3rd UMW-PLS models,corresponding separately the dual-waveband and three-waveband combinations,were strict-ly better than the optimal MW-PLS models,and the wavelength complexity decreased sequentially.In external validation,the ratio of performance-to-deviation(RPD)of the optimal 3rd UMW-PLS models of the three indicators reached 3.0,3.2 and 5.8,respectively.The results indicated that Vis-NIR spectroscopy can be used for the reagent-free simultaneous quantitative analysis of bilirubin indicators IBil,DBil and TBil.The proposed UMW-PLS was a concise and effective multi-waveband optimization strategy.关键词
可见-近红外光谱分析/间接胆红素/直接胆红素/总胆红素/无约束移动窗口-偏最小二乘/多波段优选策略Key words
visible-near infrared spectral analysis/indirect bilirubin/direct bilirubin/total bili-rubin/unconstrained moving window-partial least squares/multi-waveband optimization strategy分类
化学引用本文复制引用
谭辉,潘涛..Vis-NIR光谱无约束MW-PLS方法及其在血清胆红素分析的应用[J].分析测试学报,2025,44(6):1183-1189,7.基金项目
国家自然科学基金资助项目(82460611,62476112) （82460611,62476112）
