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A Gradient-Based Discriminant Analysis Method for Process Quality Control of Carbonized TCM Via Fourier Transform Near Infrared Spectroscopy: A Case Study on Carbonized Typhae Pollen

Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy(2021)

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摘要
Carbonized traditional Chinese medicine (TCM) is a kind of distinctive traditional drug which has been widely used in various bleeding syndromes for over two thousand years, and most of them are still in clinical use. Although they share similar processing method: stir-frying, there are no specific quality standards and few quality control researches carried out on carbonized TCM up until now. Carbonized Typhae Pollen (CTP) is a typical carbonized TCM with efficacy of eliminating blood stasis and stanching bleeding. In this study, a novel process quality control model coupled with near infrared spectroscopy was established, called Gradient-based Discriminant Analysis method (GDA). Compared with conventional modeling methods (Convolutional Neural Network, Linear Discriminant Analysis, Standard Normal Variate-LDA), GDA model applied in fiber optic probe acquisition mode exhibited highest test accuracy (0.961), satisfactory correct identification (internal validation, 100%; external validation, 97.1%) and excellent model stability. This method provided a perfect guideline for process quality control of Carbonized TCM as well as ensured their clinical efficacy.
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关键词
Carbonized traditional Chinese medicine,Carbonized Typhae Pollen,Process quality control,Near infrared spectroscopy,Gradient-based Discriminant Analysis method
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