潘坚扬;周紫楣;瞿海斌;刘红娜;刘生香;苏永健;胡珊珊;
PAN Jian-yang;ZHOU Zi-mei;QU Hai-bin;LIU Hong-na;LIU Sheng-xiang;SU Yong-jian;HU Shan-shan;Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University;Qinghua Deren Xi′an Xingfu Co., Ltd.;

• 1:浙江大学药学院药物信息学研究所
• 2:清华德人西安幸福制药有限公司

摘要(Abstract)：

该研究基于紫外-可见光谱、近红外光谱及多变量数据处理技术,提出了一种生血宝合剂浓缩液的质量快速分析方法,用于同时预测生血宝合剂浓缩液中芍药内酯苷、芍药苷、二苯乙烯苷、特女贞苷、旱莲苷D、大黄素、毛蕊异黄酮苷和黄芪甲苷8种有效成分的含量。以高效液相色谱-紫外-质谱联用分析法作为有效成分含量测定的参照方法,使用偏最小二乘回归法建立生血宝合剂浓缩液紫外-可见光谱或近红外光谱与8种成分含量之间的多元校正模型,最后以24批测试集样本对模型性能进行评价。结果表明:生血宝合剂浓缩液中8个有效成分的紫外-可见光谱校正模型和近红外光谱校正模型的决定系数均高于0.9,紫外-可见光谱校正模型外部验证的预测决定系数均高于0.83,近红外光谱校正模型外部验证的预测决定系数均高于0.79,该方法准确、稳健、快速,适用于生血宝合剂浓缩液质量的快速评价。
A rapid analysis method based on ultraviolet-visual(UV-Vis) spectroscopy, near infrared(NIR) spectroscopy and multivariable data analysis was established for quality evaluation of Shengxuebao Mixture. The contents of eight active ingredients of Shengxuebao Mixture including albiflorin, paeoniflorin, 2, 3, 5, 4′-tetra-hydroxy-stilbene-2-O-β-D-glucopyranoside, specnuezhenide,ecliptasaponin D, emodin, calycosin-7-glucoside and astragaloside Ⅳ were simultaneously detected by using this method. HPLC-UV-MS was used as a reference method for determining the contents of these ingredients. Partial least squares(PLS) analysis was implemented as a linear method for multivariate models calibrated between UV spectrum/NIR spectrum and contents of 8 ingredients. Finally, the performance of the model was evaluated by 24 batches of test samples. The results showed that both UV-Vis and NIR models gave a good calibration ability with an R~2 value above 0.9, and the prediction ability was also satisfactory, with an R~2 value higher than 0.83 for UV-Vis model and higher than 0.79 for NIR model. The overall results demonstrate that the established method is accurate, robust and fast, therefore, it can be used for rapid quality evaluation of Shengxuebao Mixture.

关键词(KeyWords)： 紫外-可见光谱;近红外光谱;快速分析技术;生血宝合剂
UV-Vis spectroscopy;NIR spectroscopy;rapid analysis technology;Shengxuebao Mixture

Abstract:

Keywords:

基金项目(Foundation): 国家中药标准化项目(ZYBZH-C-QIN-46)

作者(Author): 潘坚扬;周紫楣;瞿海斌;刘红娜;刘生香;苏永健;胡珊珊;
PAN Jian-yang;ZHOU Zi-mei;QU Hai-bin;LIU Hong-na;LIU Sheng-xiang;SU Yong-jian;HU Shan-shan;Pharmaceutical Informatics Institute, College of Pharmaceutical Sciences, Zhejiang University;Qinghua Deren Xi′an Xingfu Co., Ltd.;

Email:

DOI: 10.19540/j.cnki.cjcmm.20200221.307

参考文献(References)：

• [1] 国家药典委员会.中华人民共和国药典.一部[S].北京:中国医药科技出版社,2015:792.
• [2] 周紫楣,潘坚扬,龚行楚,等.基于QbD理念的生血宝合剂HPLC-UV-MS定量分析方法研究[J].中国中药杂志,2018,43 (21):4248.
• [3] 严斌俊,刘爽悦,郭正泰,等.基于紫外光谱的丹红提取液质量快速分析技术[J].中国中药杂志,2013,38 (11):1676.
• [4] 邢丽红,李文龙,瞿海斌.金银花提取物中5种有机酸含量测定的紫外光谱法[J].药物分析杂志,2011,31 (3):547.
• [5] 李文龙.紫外-可见(UV-Vis)光谱法在中药质量控制中的应用[J].中国民族民间医药,2018,27 (22):47.
• [6] 黄凯毅,魏丹妮,方金阳,等.紫外光谱法快速测定醒脑静注射液一次提取过程中9种成分[J].中国中药杂志,2017,42 (19):3755.
• [7] 罗雨,李文龙,瞿海斌.近红外光谱定量分析法的验证方法研究进展[J].中国中药杂志,2016,41 (19):3515.
• [8] 李文龙,瞿海斌.近红外光谱用于中药定量分析的技术规范化研究进展[J].中国中药杂志,2016,41 (19):3511.
• [9] 李文龙,瞿海斌.近红外光谱应用于中药质量控制及生产过程监控的研究进展[J].浙江大学学报:医学版,2017,46(1):80.
• [10] 李文龙,刘绍勇,薛东升,等.基于近红外光谱技术的痰热清注射液生产全程质量控制体系构建及相关思考[J].中国中药杂志,2014,39 (17):3409.
• [11] 张淹,张路,田守生,等.近红外光谱分析技术在复方阿胶浆生产全程中的应用进展及相关思考[J].中国中药杂志,2016,41 (19):3574.
• [12] 韩海帆,张路,张淹,等.阿胶化皮过程总氮含量的快速测定以及化皮过程终点判断方法[J].中国中药杂志,2014,39 (6):1043.
• [13] LI W L,YAN X,PAN J C,et al.Rapid analysis of the Tanreqing injection by near-infrared spectroscopy combined with least squares support vector machine and Gaussian process modeling techniques[J].Spectrochim Acta A,2019,218:271.
• [14] 唐海姣,匡艳辉,张偲偲,等.复方丹参片丹酚酸B和冰片近红外光谱测定和相关性模型建立[J].中国中药杂志,2018,43(14):2857.
• [15] 何月云,梁华伦,苏胄豪,等.近红外技术在小柴胡颗粒中黄芩苷快速检测的应用研究[J].今日药学,2019,29(7):461.
• [16] 刘雪松,张丝雨,赵曼茜,等.近红外光谱结合不同变量筛选方法用于黄芩提取过程中黄芩苷含量预测[J].药学学报,2019,54(1):138.
• [17] 雍婧姣,王霞,石思佳,等.基于R语言的近红外光谱对甘草中指标成分定量分析[J].中国实验方剂学杂志,2019,25(9):176.
• [18] 范林宏,范文翔,韦志强,等.近红外光谱技术结合化学计量学在中药分析中的应用现状[J].中国实验方剂学杂志,2019,25(24):205.