化工进展2016，Vol.35Issue(6)：1627-1645,19.DOI:10.16085/j.issn.1000-6613.2016.06.004
近红外光谱技术在中药质量控制应用中的化学计量学建模：综述和展望
Development of chemometric modelling in the application of NIR to the quality control of Chinese herbal medicine:literature review and future perspectives
周昭露 1李杰 1黄生权 2田淑华 3刘玉娇 3鲁亮 2张扬 1黄延盛 2王学重1
作者信息
- 1. 华南理工大学化学与化工学院，广东广州 510640
- 2. 无限极 中国 有限公司，广东广州 510623
- 3. 晶格码 青岛 智能科技有限公司，山东青岛 266109
- 折叠
摘要
Abstract
Near infrared spectroscopy (NIR) is currently the most widely used Process Analytical Technology (PAT) in the pharmaceutical industrial. It's application in the quality control of Chinese herbal medicines has also attracted much attention in recent years. Chinese herbal medicines are often very complex in composition,and the production processes are distinctive from that for pharmaceutical chemicals. As a result,the use of NIR in the Chinese herbal medicine domain faces major challenges, in particular in chemometric model development. This paper provides a review of chemometric methods for NIR model development with the focus on NIR application in on-line quality control in the production of Chinese herbal medicines. The topics include calibration data collection,pre-processing, selection of data for model development and validation,and wave number selection,as well as model building and performance assessment. It is emphasized that construction of models with good performance should be an iterative process integrating spectral pre-processing (e.g. smoothing, derivative method,standardized algorithm,data enhancement algorithm,and principal component analysis),wave number selection (e.g. genetic algorithm,random frog) and linear and nonlinear model construction algorithms (e.g. partial least squares,neural networks and support vector machines). A future platform is envisaged as one that shares data and integrates sophisticated algorithms in the background and presents users with friendly,easy to use,intelligent and semi-automated interfaces. Review and discussions has been made based on practical case studies.关键词
近红外光谱技术/中药/质量控制/化学计量学Key words
near infrared spectroscopy/Chinese medicines/quality control/chemometric分类
化学化工引用本文复制引用
周昭露,李杰,黄生权,田淑华,刘玉娇,鲁亮,张扬,黄延盛,王学重..近红外光谱技术在中药质量控制应用中的化学计量学建模：综述和展望[J].化工进展,2016,35(6):1627-1645,19.
