摘要
该文基于近红外光谱(near-infrared spectroscopy,NIRS)技术、中红外光谱(mid-infrared spectroscopy,MIRS)技术以及光谱融合技术建立快速测定热毒宁注射液(Reduning Injectin,RI)中绿原酸、新绿原酸、隐绿原酸、栀子苷、断氧化马钱子苷含量的方法。该研究通过考察6种预处理方法和5种变量筛选方法,选择最佳方法建立2种单一光谱的偏最小二乘(partial least square,PLS)模型。同时对近红外、中红外光谱进行等权融合和特征波段融合,建立PLS模型。对比4种模型对质控成分的预测效果:NIRS>特征波段融合>MIRS>等权融合,5种质控成分NIRS模型的预测相对偏差(relative standard error of prediction,RSEP)均低于2.5%,性能偏差比(ratio of performance to deviation,RPD)均大于9.5。研究表明,NIRS单一光谱模型是较优的定量检测方法,NIRS结合PLS模型可用于对热毒宁注射液的快速检测。
In this paper,a method for rapidly determining the content of chlorogenic acid,neochlorogenic acid,cryptochlorogenic acid,gardeniside,and strychnoside in Reduning Injection(RI)was established based on near-infrared spectroscopy(NIRS),mid-infrared spectroscopy(MIRS),and spectral fusion technology.Six pretreatment methods and five variable screening methods were investigated,and the best method was selected to establish a partial least square(PLS)model of two single spectra.At the same time,the NIRS and MIRS were fused with equal weights and characteristic bands,and the PLS model was established.The prediction effect of the four models on the quality control components was compared:NIRS>characteristic band fusion>MIRS>equal weight fusion.The relative standard error of prediction(RSEP)of the NIRS models on the five quality control components was less than 2.5%,and the ratio of performance to deviation(RPD)was greater than 9.5.The results show that the single spectrum model of NIRS is the best quantitative detection method,and the model of NIRS combined with the PLS algorithm can be used for the rapid detection of Reduning Injection.
作者
贾文玉
张永超
李秀梅
童枫
王振中
张欣
肖伟
JIA Wen-yu;ZHANG Yong-chao;Liu-mei;TONG Feng;ANG Zhen-zhong;ZHANG Xin;XIAO Wei(Kanion School of Chinese Materia Medica,Nanjing University of Chinese Medicine,Nanjing 210023,China;National Key Laboratory on Technologies for Chinese Medicine Pharmaceutical Process Control and Intelligent Manufacture,Lianyungang 222001,China;Jiangsu Kanion Pharmaceutical Co.,Ltd.,Lianyungang 222001,China)
出处
《中国中药杂志》
CAS
CSCD
北大核心
2024年第16期4450-4459,共10页
China Journal of Chinese Materia Medica
基金
国家中医药管理局基于重点研究室研究领域的中医药多学科研究能力提升项目(国中医药办科技函[2021]315号)。
关键词
热毒宁注射液
偏最小二乘模型
近红外光谱
中红外光谱
含量预测模型
融合光谱
Reduning Injection
partial least squares model
near-infrared spectroscopy
mid-infrared spectroscopy
content prediction model
fusion spectrum
