近红外光谱用于中药定量分析的技术规范化研究进展

近红外(near-infrared,NIR)光谱技术在中药行业引起了日益广泛的关注,但目前该项技术仍处于研究阶段,缺乏统一的标准及规范,将其应用于中药质量控制及中药制药过程分析,尚需解决NIR光谱分析技术的适用范围问题、建模样品的代表性及模型的可扩展性问题、光谱采集条件的优化问题、异常光谱的剔除原则问题、模型的评价方法问题、模型的更新及转移方法问题等。只有这些关键问题获得解决,并经过方法学验证,形成规范,才能充分发挥NIR光谱技术的优势,应用于中药质量控制和制药过程监测。该文将对NIR光谱技术在中药和其他领域的研究报道中提出的方法进行总结和比较,提出中药NIR光谱的技术规范化研究方法和思路,以促进NIR光谱技术的规范化应用。

Research progress on standardization study of NIR spectroscopy based method for quality control of traditional Chinese medicine

In recent years, the near infrared (NIR) spectroscopy has gained wide acceptance within the quantitative analysis of traditional Chinese medicine (TCM). However, the lack of technical standards is the bottleneck problem in this process. To address this issue, standardization study of the NIR spectroscopy based method for the quantitative analysis of TCM is needed, in which the specific characteristics of TCM should be given full considerations. The main research contents include:the scope definition for the application of NIR spectroscopy in the TCM quantitative analysis field, the selection criteria for the sample pretreatment and spectral acquisition conditions, the rules for the model optimization and evaluation, and the regulations for the model update and transfer. In this paper, some foreign studies in the agricultural areas are reviewed for reference. Different chemometrics methods reported in the literature are investigated and compared systematically. This research is important actual significance to the theoretical development of NIR spectroscopy analytical techniques, and will effectively promote the application of the technology in the TCM industry. Furthermore, it is beneficial to improve the technical level of TCM quality control, and can also be used as references to achieve similar purposes for other natural products.