Ms. Li Ning Profile

Li Ning

at Tianjin Univ

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Proceedings Article | 27 October 2006 Paper

Fast discrimination of danshen from different geographical areas by NIR spectroscopy and advanced cluster analysis method

Ning Li, Yan Wang, Kexin Xu

Proceedings Volume 6047, 604725 (2006) https://doi.org/10.1117/12.710981

KEYWORDS: Principal component analysis, Near infrared, Medicine, Near infrared spectroscopy, Spectroscopy, Data modeling, FT-IR spectroscopy, Statistical modeling, Artificial neural networks, Particles

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Near infrared (NIR) diffuse reflection spectroscopy has been an effective way to perform quantitative analysis without the requirement of sample pretreatnient. In this paper, NIR Fourier transform infrared (FTIR) spectroscopy has been introduced to probe spectral features of traditional Chinese medicine Danshen. Infrared fingerprint spectra of Danshen can be established. Influence of differentiation of spectrum is also discussed. After pretreatment and derivation on the spectral data, methods of principal analysis (PCA), soft independent modeling of class analogy (SIMCA) and Artificial Neural Network (ANN) are combined to sort the geographical origins of 53 samples by local modeling. The result show that, as a basis of the other two methods, PCA is a more efficient one for identifying the geographical origins of Danshen. Combining SIMCA with PCA, an effective model is built to analyze the data after normalization and differentiation, the correct identification rate reaches above 90%. Then 36 samples are chosen as training set while other 17 samples being verifying set. Using ANN-based Back Propagation method, after proper training of BP network, the origins of Danshen are completely classified. Therefore, combined with advanced mathematical analysis, NIR diffuse spectroscopy can be a novel and rapid way to accurately evaluate the origin of Chinese medicine, and also to accelerate the modernization process of Chinese drugs.

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