摘要
近红外光谱技术(NIR)是一种快捷、无损的绿色分析技术,其定量分析技术尤为发展迅速。该技术先以误差小、重复性好的实验方法获得化学参考值,常用方法为《中国药典》指定的如高效液相色谱(HPLC)、气象色谱(GC)、毛细管电泳(CE)、原子吸收光谱法(AAS)及电感耦合等离子体质谱法(ICP-MS)等,再借助于偏最小二乘(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或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。目前,该技术在中药植物药及复方制剂中的有效成分、指标性成分、水分、浸出物及挥发油等的含量测定,矿物药中有效成分的含量测定,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。本文通过文献研究发现,NIR定量技术亦有许多薄弱及空白,但是随着迅速的推广,NIR定量分析技术在中药分析中具有广阔的研究与应用前景。
Near infrared spectroscopy （NIR） is a rapid, nondestructive and green analytical technology, and its quantitative analysis technique is especially rapidly developing. Determination methods with small deviation and good repeatability designated by Chinese Pharmacopoeia like HPLC, GC, CE, AAS and ICP-MS were used to obtain chemical reference. 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）. NIR quantitative analysis technique of has broad research and application prospects in the content determination of effective compositions, index compositions, moisture, extract and volatile oil of herbal medicines and compound Chinese medicinal preparation, effective compositions of mineral medicines, optimization of preparation technologies, and real-time monitoring of pharmaceutical process.
出处
《中国实验方剂学杂志》
CAS
CSCD
北大核心
2015年第9期223-226,共4页
Chinese Journal of Experimental Traditional Medical Formulae
基金
国家自然科学基金项目(30960037)
甘肃省发改委战略新兴产业和产业技术研究与开发专项项目(2011)
甘肃中医学院研究生创新基金项目(CX2014-06)
关键词
近红外光谱
定量检测
中药分析
Near infrared spectroscopy
quantitative determination
analysis of traditional Chinese medicine
作者简介
王耀鹏，在读硕士，从事中药成分分析和质量控制研究，Tel：15095416593，E-mail：wyp94730@163．com
[通讯作者]王亚丽，教授，博士，博士生导师，从事中药分析和化学计量学研究，E-mail：cnwyl1166@hotmail．com
