中国中药杂志

2015, v.40(16) 3204-3208

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基于近红外光谱分析技术的散结镇痛胶囊药物质量分数分析
Measurement of mass fraction of Sanjie Zhentong capsules with near infrared reflectance spectroscopy

张广仁;吴云;靳瑞婷;万琴;吴金凤;徐小倩;萧伟;
ZHANG Guang-ren;WU Yun;JIN Rui-ting;WAN Qin;WU Jin-feng;XU Xiao-qian;XIAO Wei;College of Pharmacy,Nanjing University of Traditional Chinese Medicine;State Key Laboratory of New-tech for Chinese Medicine Pharmaceutical Process;Jiangsu Kanion Pharmaceutical Co.,Ltd.;

摘要(Abstract):

采用近红外光谱探头直接扫描含有不同药物质量分数的散结镇痛胶囊,获取囊壳及内容物的近红外光谱信息,运用偏最小二乘算法(PLS)建立快速测定散结镇痛胶囊中浙贝母、龙血竭质量分数的多元校正模型,其校正集线性相关系数(rc)分别为0.949 5,0.958 2;验证集线性相关系数(rv)分别为0.919 2,0.936 7;校正集均方根偏差(RMSEC)分别为4.742 4,4.135 7;交互验证集均方根偏差(RMSECV)分别为6.158 9,5.037 3。对未知样品进行预测,预测偏差基本小于10%,预测值和实测值经统计学成对T检验分析均无显著性差异,表明所建立的模型预测性能均较优,能够满足生产中需要。
Sanjie Zhentong capsules were scanned by using a near infrared spectra probe with different drug mass fraction and the spectral information of capsule shells and contents in it were obtained. Then partial least squares( PLS) models were developed for the prediction of mass fraction of Fritillariae Thunbergii Bulbus and Resine draconis in Sanjie Zhentong capsules. The correlation coefficient( rc) and root mean standard error( RMSEC) of 0. 949 5,0. 958 2 and 4. 742 4,4. 135 7. The models obtained correlation coefficient( rv) of 0. 919 2,0. 936 7 and root mean square error( RMSECV) of 6. 158 9,5. 037 3 respectively in the training set. The paired T test analysis of statistics showed that there were no significant difference between predictive values and measure values. The established models reflected a strong prediction performance and can meet the needs of the production.

关键词(KeyWords): 近红外技术;质量分数;偏最小二乘法;散结镇痛胶囊
NIR;mass fraction;PLS;Sanjie Zhentong capsules

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基金项目(Foundation): 国家“重大新药创制”科技重大专项(2011ZX09201-201-20)

作者(Author): 张广仁;吴云;靳瑞婷;万琴;吴金凤;徐小倩;萧伟;
ZHANG Guang-ren;WU Yun;JIN Rui-ting;WAN Qin;WU Jin-feng;XU Xiao-qian;XIAO Wei;College of Pharmacy,Nanjing University of Traditional Chinese Medicine;State Key Laboratory of New-tech for Chinese Medicine Pharmaceutical Process;Jiangsu Kanion Pharmaceutical Co.,Ltd.;

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