近红外漫反射光谱法快速鉴别药用辅料

Fast Identification of Pharmaceutical Excipients Using Near Infrared Diffuse Reflectance Spectroscopy

该文建立了采用近红外光谱法对41种常用药用辅料进行快速、准确、无损鉴别的方法，每个品种6批次样品共得246张光谱，215张用于建立模型，41张用于验证模型。在3966～10414cm。内，使用二阶导数9点平滑光谱预处理方法，结合第一范围标定法建立的“总库1”定性分析模型可准确鉴定30种辅料，其余5大类11种辅料被直接转入“子库2—6”进一步鉴定，直至完全分离。结果表明，对验证集样品鉴别准确度达100％。对比于操作繁琐、费时的传统检测方法，该方法快速、准确，适用于制药企业在原料进厂时逐桶定性鉴别和车间投料的过程控制。

A rapid, accurate and non-destructive identification method was developed by near infrared spectroscopy（NIR） to identify 41 （seven categories） solid exeipients widely used in pharmaceutical industry. 6 hatches of samples of each class were collected and 246 raw NIR spectrograms were obtained. 215 NIR spectrograms were utilised to establish the calibration model and the rest 41 spectrograms were utilised to validate the performance of the model. Based on the original data, second derivative 9 point smoothing combined with the first range of calibration was chosen as the optimum pre-processing method at 3 966 -10 414 cm-1 ,and 30 solid excipients of all the 41 samples could be well identified by this model, namely ＂model 1 ＂,and the other 5 sublibraries, namely models （2 - 6 ） , were developed for 11 excipients in order to sufficiently classify every sample. With this approach, no ＂error determinations＂ were assigned to a wrong class, which indicates that the NIR method is appropriate for the identification of excipients in the eGMP manufacture of drug products within the pharmaceutical industry.