摘要
目的利用微型近红外仪建立基于近红外漫反射光谱法的中药粉末混合过程的快速定量分析模型,实现对中药粉末混合过程的在线检测。方法混合不同配比的赤芍和脱脂酸枣仁粉末,采集其近红外漫反射光谱,选取合适的光谱作为标准光谱,建立标准光谱和粉末真实含量之间的PLS多元校正模型,并将该模型应用于中药粉末混合过程的在线检测。结果对原始光谱进行多重散射校正(MSC)、一阶导数和Savitzky-Golay平滑滤波法预处理后,选择5 900～5 950 cm-1,6 700～6 750cm-1,6 950～7 100 cm-13个波段建立近红外校正模型,模型相关系数达0.999 0,校正集均方差(RMSEC)、预测均方差(RM-SEP)、交叉验证均方差(RMSECV)分别为1.14、1.16、1.26。结论该方法可用于在线检测混合过程中不同种类粉末的含量和混合均匀度,判断混合终点,评价粉末的物理状态是否符合生产标准,真正将过程分析技术(PAT)应用于中药混合过程,并有望实现在线质量控制。
ObjectiveTo establish a rapid method based on near-infrared diffuse reflectance spectroscopy （NIR） to monitor the blending process of traditional Chinese medicinal powder on-line. Methods NIR spectra were collected during the blending processes of mixtures consisting of Red Peony Root powder and defatted Spine Date Seed powder. Multivariate calibration models based on PLS regression were developed to correlate the collected spectra with the content of Red Peony Root powder. The optimal calibration model was applied to monitor the blending process in real time with noninterference. Results After spectral pretreatment using multiplicative signal correction （MSC）, first derivative and Savitzky-Golay filter, Red Peony Root powder contents were quantified using PLS algorithm in the spectral ranges of 5 900-5 950 cm-1,6 700-6 750 cm-1 and 6 950-7 100 cm-1. The correlation coefficient of the calibration model was 0.999 0. The RMSEC, RMSEP and RMSECV were 1.14, 1.16 and 1.26, respectively. Conclusion It was demonstrated that a miniature near-infrared analyzer could be used to monitor the contents of the constituents and the blending homogeneity of traditional Chinese medicinal powder in real time, and to rapidly determine the end-point of blending process. In addition, it can be used to judge whether the physical state of powder mixture conforms to the standard. Therefore, NIR spectroscopy is considered to be an appropriate PAT tool for end-point control of blending process of traditional Chinese medicinal powder.
出处
《中国药学杂志》
CAS
CSCD
北大核心
2013年第14期1151-1156,共6页
Chinese Pharmaceutical Journal
基金
国家"十一五"科技支撑计划资助项目(2006BAI06A08)
浙江省重大科技计划资助项目(2008C03005)
关键词
近红外漫反射法
偏最小二乘法
中药混合
在线检测
near-infrared diffuse reflectance spectroscopy, partial least squares regression, traditional Chinese medicinal powder blending, on-line monitoring
