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。
Prediction model of Reduning Injection content based on near-infrared and mid-infrared technology combined with spectral fusion
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.
Reduning Injectionpartial least squares modelnear-infrared spectroscopymid-infrared spectroscopycontent prediction modelfusion spectrum
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