FTIR结合化学计量学对不同厂家龙胆泻肝丸(水丸)的定性鉴别及龙胆苦苷、黄芩苷、栀子苷定量预测  

Qualitative Identification of Longdan Xiegan Pills(W ater-bindered Pills)from Different Manufacturers and Quantitative Prediction of Gentiopicroside,Baicalin,Geniposide by FTIR Combined with Chemometrics

作　　者：李存金 吴喆 邓杰华 周云峰 LI Cunjin;WU Zhe;DENG Jiehua;ZHOU Yunfeng(Jiangxi Drug Inspection Center,Nanchang Jiangxi 330029,China;Yichun Inspection and Testing Center,Yichun Jiangxi 336000,China)

机构地区：[1]江西省药品检查员中心,江西南昌330029 [2]宜春市检验检测中心,江西宜春336000

出　　处：《药品评价》2023年第1期14-18,共5页Drug Evaluation

基　　金：江西省药品监督管理局科研项目(2021KY24)。

摘　　要：目的通过傅里叶变换红外光谱(FTIR)结合化学计量学建立不同厂家龙胆泻肝丸(水丸)定性鉴别模型以及龙胆苦苷、黄芩苷、栀子苷含量快速预测模型,为龙胆泻肝丸(水丸)的质量控制提供基础。方法采集不同厂家共28批次龙胆泻肝丸(水丸)的红外光谱数据,经自动基线校正、纵坐标归一化、平滑、二阶求导、MSC、SNV等预处理后,进行PLS-DA分析;采用高效液相色谱测定样品中龙胆苦苷、黄芩苷、栀子苷的含量,将测定数据与红外光谱数据进行拟合,建立龙胆泻肝丸(水丸)中龙胆苦苷、黄芩苷、栀子苷含量快速预测模型。结果PLS-DA得分图可准确区分不同厂家龙胆泻肝丸(水丸),PLSR建立的三个定量模型预测值与检测值接近,含量预测效果好。结论利用FTIR结合化学计量学可有效鉴别不同厂家龙胆泻肝丸(水丸)并快速预测龙胆苦苷、黄芩苷、栀子苷的含量。该方法准确可靠,可作为快速评价龙胆泻肝丸(水丸)整体质量的方法。Objective To establish a rapid method to discriminate longdan xiegan pills (water-bindered pills) from different manufacturers and detect gentiopicroside, baicalin, geniposide content of longdan xiegan pills (water-bindered pills) by Fourier transform infrared spectroscopy (FTIR) combined with chemometrics in order to provide some research bases for the quality control of longdan xiegan pills (water-bindered pills). Methods The infrared spectra of 28 batches of longdan xiegan pills (water-bindered pills) from different manufacturers were collected. The infrared spectral data were preprocessed by automatic baseline correction, ordinate normalization, smoothing, second derivative, multiplicative scatter correction (MSC) and standard normal variate transform (SNV), and then analyzed by PLS-DA. Gentiopicroside, baicalin and geniposide contents in the samples were determined by high performance liquid chromatography (HPLC). Rapid prediction models were established combining the HPLC data with the infrared spectral data for predicting gentiopicroside, baicalin and geniposide contents in longdan xiegan pills (water-bindered pill). Results PLS-DA score plot could accurately discriminate longdan xiegan pills (water-bindered pill) from different manufacturers. The content prediction effect was good based on the predicted values of the three quantitative models established by PLSR were close to the measured values by HPLC. Conclusion FTIR combined with chemometrics could effectively discriminate longdan xiegan pills (water-bindered pills) from different manufacturers and quickly predict gentiopicroside, baicalin and geniposide contents. This method is accurate and reliable and can be used as a method to quickly evaluate the overall quality of longdan xiegan pills (water-bindered pills).

关 键 词：傅里叶变换红外光谱 化学计量学 龙胆泻肝丸(水丸) 定性定量模型 质量评价 

分 类 号：R286.0[医药卫生—中药学]