[关键词]
[摘要]
综述红外光谱技术与化学计量学相结合在中药质量控制中的应用,包括利用导数校正(包括一阶、二阶求导)、标准正态变换、多元信号校正、小波变换、数据平滑等方法处理原始红外光谱,提高谱图的信噪比、改良分析信号的质量;利用正交偏最小方差判别分析、主成分分析、偏最小二乘法等校正方法处理红外光谱数据,可以迅速而准确地鉴别中药、定量分析中药有效成分;用SIMCA方法、聚类分析方法、红外指纹图谱法等化学模式识别红外光谱数据可以判断中药的产地、道地性和中成药的质量等;利用二维相关红外光谱法可以鉴别中药材的产地、研究中药炮制质量变化等。
[Key word]
[Abstract]
This article outlined the application of the combination of FTIR spectroscopy and chemometrics to analyze Chinese materia medica (CMM). The pretreatment of spectra data used in the paper such as derivative (1st derivative and 2nd derivative), standard normal variate (SNV), multiplicative scatter correction (MSC), wavelet transform, and digital filter, could enhance signal-to-noise, improve the quality, and restore the distortion of spectra. Taking advantage of OPLS-DA, PCA, and PLS to deal with the data could classify and quantify CMM more precisely and promptly. Applying chemometrics methods of pattern recognition, for example, SIMCA method, cluster analysis, IR fingerprint spectra, etc, might improve the classification effect of origin, geo-herbalism, and control quality of CMM. Put two-dimensional infrared correlation spectroscopy into use on the rapid and undamaged determination of Chinese medicinal materials in order to differentiate origin as well as to study processing of Chinese medicinal materials.
[中图分类号]
[基金项目]
十二五国家科技计划——创新中药关键技术国家重点实验室