近红外光谱定量技术应用于中药领域的最新研究

Latest application of near infrared spectroscopy in analysis of traditional Chinese medicine

应用近红外光谱定性定量分析中药材和制剂等方面的研究发展迅速,该技术能快速、全面、无损地反映药物中的有效成分性质,也符合中医药辨证施治的理论。其借助于偏最小二乘(PLS)、人工神经网络(ANN)等化学计量学方法建立一定的数学模型来预测中药材或其制剂中化学成分的含量,模型评价常用的指标有相关系数(R)、校正均方根偏差(RMSEC)、预测均方根偏差(RMSEP)及交叉验证均方差(RMSECV)等。本文通过文献研究发现,该技术在中药植物药及复方制剂中的有效成分、浸出物及挥发油等的含量测定,以及制剂工艺优选和制药过程实时监测等方面已开展广泛的应用。此技术为药材化学成分含量测定及中药制剂的定性定量分析开辟了一条新的研究途径。

Near infrared spectroscopy（ NIR） is a rapidly developing analysis technique in qualitative and quantitative analysis of traditional Chinese medicine and preparations. NIR is a fast,comprehensive and non- destructive method to identify the active ingredient of the drug. Then chemometrics models like PLS and ANN were established to predict the contents of chemical compositions in herbal medicines and compound Chinese medicinal preparation. The established models were commonly evaluated by indicators of correlation coefficient（ R）,RMSEC（ the root- mean- square error of calibration）,RMSEP（ the root- mean- square error of prediction） and RMSECV（ the root- mean- square error of cross. validation）. This review shows that qualitative and quantitative NIR technique has been widely used in the determination of the active ingredient of Chinese herbal medicine and compound preparations,extract and volatile oil contents. NIR also helps optimize the Chinese medicinal preparations as well as the real- time monitoring of pharmaceutical process. This technique opens up a new research approach in the area of qualitative and quantitative analysis of traditional Chinese medicine and preparations.