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近红外漫反射光谱法定量分析川芎中的阿魏酸含量
引用本文:王小梅,焦龙,刘小丽,李华.近红外漫反射光谱法定量分析川芎中的阿魏酸含量[J].药物分析杂志,2011(6).
作者姓名:王小梅  焦龙  刘小丽  李华
作者单位:西北大学化学与材料科学学院;西安石油大学化学化工学院;西北大学生命科学学院;
基金项目:国家自然科学基金(No.20975081); 教育部科学技术研究重点项目(204182); 陕西省教育厅产业化中试项目(No.09JC04)
摘    要:目的:应用近红外光谱分析技术和化学计量学方法构建了川芎中阿魏酸含量的定量测定模型。方法:通过偏最小二乘法建立数学模型,并对预测集进行预测。结果:34个川芎样品经交叉验证建立校正模型,交叉验证均方根误差(RMSECV)为0.146%,决定系数(R2)为0.9883。用11个川芎样品进行预测,预测值与参考值的决定系数(R2)达0.9751,预测均方根误差(RMSEP)为0.251%。结论:该方法简便快速,结果准确,可应用于对不同产地不同批次的川芎进行快速检查或质量控制。

关 键 词:偏最小二乘法  近红外  漫反射光谱  阿魏酸  川芎  快速检测  中药材  

Quantitative ananlysis of ferulic acid in Ligusticum chuanxiong Hort. by near infrared diffuse reflectance spectroscopy
WANG Xiao-mei,JIAO Long,LIU Xiao-li,LI Hua.Quantitative ananlysis of ferulic acid in Ligusticum chuanxiong Hort. by near infrared diffuse reflectance spectroscopy[J].Chinese Journal of Pharmaceutical Analysis,2011(6).
Authors:WANG Xiao-mei  JIAO Long    LIU Xiao-li  LI Hua
Institution:WANG Xiao-mei1,JIAO Long1,2,LIU Xiao-li3,LI Hua1(1.School of Chemistry and Materials Science,Northwestern University,Xi'an 710069,China,2.College of Chemistry and Chemical Engineering,Xi'an Shiyou University,Xi'an 710065,3.School of Life Sciences,China)
Abstract:Objective:Near infrared(NIR) spectroscopy and chemometrics were applied to the quantitative analysis of ferulic acid in Ligusticum chuanxiong Hort.Method:Partial least squares(PLS) regression model was built using a calibration set(34 samples).The prediction set was established by 11 samples.And we applied this method to predict the data in the prediction set.Results:The coefficient of determination(R2) was 0.9883 as indicated from the cross-validation,and the root mean square error of cross validation(RMES...
Keywords:partial least squares  near infrared  diffuse reflectance  ferulic acid  Ligusticum chuanxiong Hort    rapid testing  traditional Chinese medicine  
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