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基于近红外光谱和径向基函数神经网络的大黄有效成分定量预测

[Quantitative prediction of active constituents in rhubarb by near infrared spectroscopy and radial basis function neural networks].

作者信息

Yu Xiao-hui, Zhang Zhuo-yong, Ma Qun, Fan Guo-qiang

机构信息

Department of Chemistry, Resources Environment and GIS Key Lab of Beijing, Capital Normal University, Beijing 100037, China.

出版信息

Guang Pu Xue Yu Guang Pu Fen Xi. 2007 Mar;27(3):481-5.

Abstract

Near infrared spectroscopy (NIRS) and artificial neural networks were used for the quantitative prediction of four active constituents in rhubarb: anthraquinones, anthraquinone glucosides, stilbene glucosides, Tannins and related compounds. The near infrared spectra of the samples were acquired in 1100-2500 nm from powdered rhubarb samples. Four calibration models using radial basis function neural networks (RBFNN) were set up to correlate the spectra with the values determined by HPLC. RMSECVs of the models for the constituents studied were 2.572, 0.442, 2.794 and 9.438, respectively. RMSEPs for the were 4.598, 8.657, 0.4586, and 5.106, respectively. The method is fast, and satisfactory results were obtained. The proposed method can be used for determining the active constituents in Chinese herbal medicine.

摘要

采用近红外光谱法(NIRS)和人工神经网络对大黄中的四种活性成分进行定量预测:蒽醌类、蒽醌糖苷类、二苯乙烯苷类、鞣质及相关化合物。从大黄粉末样品中获取1100 - 2500 nm范围内的近红外光谱。使用径向基函数神经网络(RBFNN)建立了四个校准模型,将光谱与高效液相色谱法测定的值相关联。所研究成分模型的交叉验证均方根误差(RMSECV)分别为2.572、0.442、2.794和9.438。预测均方根误差(RMSEP)分别为4.598、8.657、0.4586和5.106。该方法快速,且获得了满意的结果。所提出的方法可用于测定中草药中的活性成分。

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