Rapid determination of active components in Ginkgo biloba leaves by near infrared spectroscopy combined with genetic algorithm joint extreme learning machine.
10.19540/j.cnki.cjcmm.20201022.304
- Author:
Hong-Fei NI
1
;
Le-Ting SI
1
;
Jia-Peng HUANG
2
;
Qiong ZAN
3
;
Yong CHEN
1
;
Lian-Jun LUAN
1
;
Yong-Jiang WU
1
;
Xue-Song LIU
1
Author Information
1. College of Pharmaceutical Sciences, Zhejiang University Hangzhou 310058, China.
2. Suzhou Zeda Xingbang Pharmaceutical Technology Co., Ltd. Suzhou 215163, China.
3. Tiansheng Pharmaceutical Group Co., Ltd. Chongqing 408300, China.
- Publication Type:Journal Article
- Keywords:
Yinshen Tongluo Capsules;
competitive adaptive reweighted sampling;
genetic algorithm joint extreme learning machine;
near infrared spectroscopy;
synergy interval partial least squares
- MeSH:
Algorithms;
Ginkgo biloba;
Least-Squares Analysis;
Plant Leaves;
Spectroscopy, Near-Infrared
- From:
China Journal of Chinese Materia Medica
2021;46(1):110-117
- CountryChina
- Language:Chinese
-
Abstract:
Near-infrared spectroscopy(NIRS) combined with band screening method and modeling algorithm can be used to achieve the rapid and non-destructive detection of the traditional Chinese medicine(TCM) production process. This paper focused on the ginkgo leaf macroporous resin purification process, which is the key technology of Yinshen Tongluo Capsules, in order to achieve the rapid determination of quercetin, kaempferol and isorhamnetin in effluent. The abnormal spectrum was eliminated by Mahalanobis distance algorithm, and the data set was divided by the sample set partitioning method based on joint X-Y distances(SPXY). The key information bands were selected by synergy interval partial least squares(siPLS); based on that, competitive adaptive reweighted sampling(CARS), successive projections algorithm(SPA) and Monte Carlo uninformative variable(MC-UVE) were used to select wavelengths to obtain less but more critical variable data. With selected key variables as input, the quantitative analysis model was established by genetic algorithm joint extreme learning machine(GA-ELM) algorithm. The performance of the model was compared with that of partial least squares regression(PLSR). The results showed that the combination with siPLS-CARS-GA-ELM could achieve the optimal model performance with the minimum number of variables. The calibration set correlation coefficient R_c and the validation set correlation coefficient R_p of quercetin, kaempferol and isorhamnetin were all above 0.98. The root mean square error of calibration(RMSEC), the root mean square error of prediction(RMSEP) and the relative standard errors of prediction(RSEP) were 0.030 0, 0.029 2 and 8.88%, 0.041 4, 0.034 8 and 8.46%, 0.029 3, 0.027 1 and 10.10%, respectively. Compared with the PLSR me-thod, the performance of the GA-ELM model was greatly improved, which proved that NIRS combined with GA-ELM method has a great potential for rapid determination of effective components of TCM.
