近红外光谱结合多元统计过程控制技术在血府逐瘀胶囊提取过程在线监测中的研究  

A Study on the On-line Monitoring of Xuefu Zhuyu Capsules Extraction Process Using Near Infrared Spectroscopy Combined with Multivariate Statistical Process Control Technology

作　　者：王玺 杨应莲 沙鑫 宋纹 张营 余河水 李正 李文龙 WANG Xi;YANG Ying-lian;SHA Xin;SONG Wen;ZHANG Ying;YU He-shui;LI Zheng;LI Wen-long(College of Pharmaceutical Engineering of Traditional Chinese Medicine,Tianjin University of Traditional Chinese Medicine,Tianjin 301617,China;Haihe Laboratory of Modern Chinese Medicine,Tianjin301617,China;Tianjin HongRenTang Pharmaceutical Co.,Ltd.,Tianjin 300380,China;Tianjin Key Laboratory of Intelligent and Green Pharmaceuticals for Traditional Chinese Medicine,Tianjin 301617,China)

机构地区：[1]天津中医药大学中药制药工程学院,天津301617 [2]现代中医药海河实验室,天津301617 [3]天津宏仁堂药业有限公司,天津300380 [4]天津市中药智能制药与绿色制药重点实验室,天津301617

出　　处：《分析测试学报》2024年第11期1821-1828,共8页Journal of Instrumental Analysis

基　　金：现代中医药海河实验室-天津宏仁堂药业有限公司合作项目(XMH2022004);现代中医药海河实验室科技计划项目(22HHZYSS00004)。

摘　　要：建立了多元统计过程控制(MSPC)模型对血府逐瘀胶囊提取过程进行在线监控。采用近红外(NIR)光谱仪在线采集多批血府逐瘀胶囊提取过程光谱数据,利用过程光谱进行主成分分析(PCA),建立血府逐瘀胶囊提取过程轨迹图,以反映提取过程随时间变化的趋势。结合MSPC建立主成分得分(PC score)、DModX和Hotelling T^(2)控制模型监测提取过程,生成PC score图、Hotelling T^(2)图及DMod X控制图。PC1得分图采用±3 SD为控制限,反映PC随提取过程状态波动的情况;DModX控制图采用+3SD作为控制限,反映采样点偏离模型的绝对距离;Hotelling T2图以95%为控制限,反映各批次采样点偏离PCA模型中心的距离。应用正常批次的过程光谱建立3种MSPC控制模型直接观察血府逐瘀胶囊提取过程的整体变化,3种控制模型联合使用可对加水量、提取温度及缺味异常批次进行及时准确地识别。MSPC技术快速、无损,NIRS结合MSPC技术可应用于血府逐瘀胶囊提取过程的在线监测,对提升中药生产质量具有参考意义。To establish a multivariate statistical process control(MSPC)model for the extraction process of Xuefu Zhuyu capsules,and to monitor the extraction process on-line.Near infrared(NIR)spectrometer was used to collect spectral data of on-line extraction process of multiple batches of Xuefu Zhuyu capsules.The process spectra were used for principal component analysis(PCA)to establish a trajectory chart of the extraction process of Xuefu Zhuyu capsules,it reflects the trend of the extraction process over time.In addition,a principal component score(PC score),DModX,and Hotelling T2 control models were established in conjunction with MSPC to monitor the extraction process.The PC score charts,DModX charst,and Hotelling T^(2) control charts were generated.The PC1 score chart uses±3 SD as the control limit,reflecting the fluctuation of PC with the process state;The DModX control chart uses+3 SD as the control limit,reflecting the absolute distance of sampling points from the model,and is a measure of the degree of external data changes in the model;The Hotelling T^(2) chart uses 95% as the control limit,reflecting the distance of sampling points from the center of the PCA model for each batch.Establishing three MSPC control models using process spectra from normal batches can directly observe the overall changes in the extraction process of Xuefu Zhuyu capsules.The combination of the three control models can timely and accurately identify batches with abnormal water addition,extraction temperature,and missing materials.MSPC technology is faster and more non-destructive compared with traditional off-line detection methods.The combination of NIRS and MSPC technology can be fully applied to on-line monitoring of the extraction process of Xuefu Zhuyu capsules,which has reference significance for improving the quality of traditional Chinese medicine production.

关 键 词：近红外光谱 多元统计过程控制 血府逐瘀胶囊 在线监测 主成分分析 

分 类 号：O657.3[理学—分析化学] R283[理学—化学]