Rapid Discriminate Analysis and Quantitative Analysis Methods for Carbonized Typhae Pollen Using Near Infrared Spectroscopy Coupled with Chemometrics
- VernacularTitle:基于近红外光谱和化学计量学的蒲黄炭快速判别和定量分析方法研究
- Author:
Min TANG
1
;
Xiaolong LI
;
Jiaqi LI
;
Yongqi ZHONG
;
Shengwang LIANG
;
Shengyun DAI
;
Fei SUN
Author Information
- Publication Type:Journal Article
- Keywords: Carbonized Typhae Pollen; Near-infrared spectroscopy; Chemometrics; Discriminant analysis; Quantitative analysis
- From: World Science and Technology-Modernization of Traditional Chinese Medicine 2024;26(9):2385-2398
- CountryChina
- Language:Chinese
- Abstract: Objective To establish the rapid discriminate analysis and quantitative analysis methods for carbonized Typhae Pollen(CTP)using near infrared spectroscopy coupled with chemometrics.Methods A total of 186 batches of CTP samples were prepared and categorized into three group including light degree CTP,moderate CTP,and heavy degree CTP.The NIR spectra of these samples were characterized.Then partial least squares-discriminant analysis(PLS-DA),k-nearest neighbors(KNN),support vector machine(SVM)algorithms were separately applied to build the discriminant models.The performance of discriminant models was evaluated in terms of the accuracy(ACC)and the error rate(ER).The partial least squares algorithm was used to establish the quantitative model for the prediction of 3,4-dihydroxybenzoic acid,3-hydroxybenzoic acid,4-hydroxybenzoic acid,azelaic acid,quercetin,quercetin-3-(2G-rhamnosylrutinoside),kaempferol,kaempferol-3-(2G-rhamnosylrutinoside),isorhamnetin,typhaneoside,isorhamnetin-3-O-neohesperidin,and naringenin of CTP samples.The correlation coefficients(rcal,rpre),the root mean square error of calibration(RMSEC),the root mean square error of prediction(RMSEP),and the ratio of performance deviation(RPD)were calculated to assess the PLS model.Results Compared with PLS-DA and KNN models,the SVM model yielded the best classification.The ACC of SVM model was 90.08％for calibration set and 93.44％for prediction set,while the ER was 9.08％for calibration set and 5.31 for prediction set.The values of rcal and r for PLS models were greater than 0.9,and the RPD of that was greater than 2.3.Conclusion In this study,the NIR spectroscopy coupled with chemometrics was firstly applied to develop the rapid discriminant analysis and quantitative analysis methods for CTP.The NIR-based method is rapid,non-destructive,and accurate,and it provides the scientific basis and method support for the rapid judgment of the processing degree of CTP and analysis of the changes of chemical components to ensure the quality of CTP.
