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Research on the Quantitative Analysis of Near Infrared Spectroscopy of Oleanolic Acid of Clematis Root Based on Artificial Neural Network and Wavelet Transform

机译:基于人工神经网络和小波变换的铁线莲根中齐墩果酸近红外光谱定量分析研究。

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摘要

The traditional Chinese medicine must be carried on the separation and withdrawing by use of the conventional analysis methods. With rapidly analysis, no pollution, no damage, simple operation, low analysis cost, environmental protection, and many other advantages, the Near Infrared (NIR) Spectroscopy analysis has made breakthrough progress in the Chinese medicine field. In this paper, using the Fourier transform near infrared diffuse reflectance spectrometer for transmittance detection for two kinds of Clematis Root samples, and the wavelet transform (WT) method is adopted, the compression of the spectral variables, the compression ratio can reach 99.14%. The quantitative analysis of NIR of Oleanolic Acid of Clematis Root is carried on, based on artificial neural network (ANN) and wavelet transform. The simulation results show that, the prediction decision coefficient (R2 is 0.9876 the average relative error (ARE) is 0.0278 the root mean square error of Cross-Validation (RMSECV) is 0.0191 in the Clematis Root extract samples the ratio of material to liquid 1:2), and the predictive decision coefficient is 0.9904, the average relative error is 0.0191, and the root mean square error of Cross-Validation is 0.0125 in the Clematis Root extract samples (the ratio of material to liquid 1:5). The two models can meet the need of practical application and provide technical support for quantitative analysis to extract of Clematis Root and analysis of NIR in traditional Chinese medicinal materials.
机译:中药必须采用常规分析方法进行分离和提取。近红外光谱分析技术具有分析速度快,无污染,无损伤,操作简单,分析成本低,环保等诸多优点,在中药领域取得了突破性进展。本文采用傅里叶变换近红外漫反射光谱仪对两种威灵仙根样品进行透射率检测,并采用小波变换(WT)法对光谱变量进行压缩,压缩率可达99.14%。基于人工神经网络(ANN)和小波变换,对铁线莲根齐墩果酸的近红外光谱进行了定量分析。仿真结果表明,铁线莲根提取物的预测决策系数(R2为0.9876,平均相对误差(ARE)为0.0278,交叉验证的均方根误差(RMSECV)为0.0191),料液比为1。 :2),铁线莲根提取物样品的预测决策系数为0.9904,平均相对误差为0.0191,交叉验证的均方根误差为0.0125(物质与液体的比例为1:5)。这两种模型可以满足实际应用的需要,为定量分析铁线莲根提取物和中药材近红外光谱分析提供了技术支持。

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