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目的:应用近红外光谱技术(NIR)建立热毒宁注射液栀子提取液浓缩过程中绿原酸和栀子苷质量分数、固含量、密度的快速定量分析模型,实时反映浓缩状态,实现栀子提取液浓缩过程的质量控制。方法:收集栀子提取液浓缩过程中样品,同时采集浓缩过程在线NIR光谱,经过异常点剔除、光谱预处理和波段选择,运用偏最小二乘法(PLS)分别建立NIR光谱与绿原酸和栀子苷质量分数、固含量、密度分析值之间的定量校正模型,并对未知样品进行预测。结果:PLS模型中,绿原酸和栀子苷质量分数、固含量、密度校正集相关系数分别为0.990 5,0.994 3,0.986 2,0.987 9,交叉验证误差均方根分别为0.112,0.368,0.148,0.013;验证集相关系数分别为0.987 2,0.992 5,0.981 6,0.982 3,预测误差均方根分别为0.181,0.302,0.128,0.016,相对预测偏差均<6.0%,能够满足中药生产过程中质量分析要求。结论:该法操作简便、快速无损且准确可靠,可用于热毒宁注射液栀子提取液浓缩过程中绿原酸和栀子苷含量、固含量、密度等质控指标的快速分析及监测。
OBJECTIVE: To establish a rapid quantitative analysis model of chlorogenic acid and geniposide concentration, solid content and density in the concentration of heat drug injection Gardenia extract by near infrared spectroscopy (NIR), real-time reflect the concentration state, to achieve gardenia Quality control of the concentration of sub extract. Methods: The samples were collected during the concentration of gardenia extract and the on-line NIR spectra were collected during the concentration process. After eliminating abnormal spots, pretreatment and band selection, partial least squares (PLS) were used to establish NIR spectra and chlorogenic acid Quantitative calibration model of the content of sub-glycoside, solid content and density analysis, and the unknown samples were predicted. Results: In the PLS model, the correlation coefficients of chlorogenic acid and geniposide mass fraction, solid content and density correction set were 0.990 5, 0.994 3 and 0.986 2, respectively. The root mean square error of cross validation was 0.112 and 0.368 respectively, 0.148 and 0.013 respectively. The correlation coefficients of the validation set were 0.987, 2, 0.992, 5 .0981, 6 .0.982, respectively. The root mean square of prediction errors were 0.181, 0.302, 0.128 and 0.016 respectively, with relative prediction deviation <6.0% Medium quality analysis requirements. Conclusion: The method is simple, rapid, non-destructive and accurate. It can be used for the rapid analysis and monitoring of quality control indicators such as chlorogenic acid and geniposide content, solid content and density during the concentration of injection of Gardenia jasminoides.