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ID:55730341
大小:1.03 MB
页数:8页
时间:2020-06-03
《近红外漫反射光谱法结合CP-ANN和PLS高通量分析草麻黄药材.pdf》由会员上传分享,免费在线阅读,更多相关内容在行业资料-天天文库。
1、·-——1402-——药物分析杂志ChinJPharmAnal2012,32(8)近红外漫反射光谱法结合CP—ANN和PLS高通量分析草麻黄药材易珍奎,范琦,王丽琼,王以武(重庆医科大学药学院,重庆400016)摘要目的:建立草麻黄药材的近红外漫反射光谱高通量分析方法。方法:测量草麻黄样品的近红外漫反射光谱(nearinfra—reddiffusereflectancespectra,NIRDRS),应用化学计量学技术进行光谱处理和数据预处理,分别建立并验证草麻黄药材的产地和采摘时间判别对向传播人工神经网络(counter—prop
2、agationartificialneuralnetwork,CP—ANN)模型及麻黄碱和伪麻黄碱含量预测偏最小二乘(partialleastsquare,PLS)模型。结果:草麻黄药材的产地和采摘时间判别CP—ANN模型的验证样品预测准确率分别为100.O%和80.O%;麻黄碱和伪麻黄碱含量预测PLS模型的验证样品预测均方根误差(rootmeansquareerrorsofprediction,RMSEPs)小,分别为1.12和0.236,预测值与参考值的相关系数(correlationcoefficients)大,分别为0.97
3、21和0.9309。结论:采用所建方法能同时对草麻黄药材的产地和采摘时间进行准确判别,对其麻黄碱和伪麻黄碱的含量进行准确预测。该方法准确、快速,无需特殊的样品处理,也不使用化学试剂。关键词:草麻黄;高通量分析;麻黄碱;伪麻黄碱;定性;定量;近红外漫反射光谱法;对向传播人工神经网络模型;偏最小二乘法含量预测模型中图分类号:R917文献标识码:A文章编号:0254—1793(2012)08—1402—08High·--throughputanalysisofEphedrasinicaplantsbyNIRdifusereflectanc
4、espectroscopycombinedwithCP—ANNandPLSYIZhen—kui,FANQi,WANGLi—qiong,WANGYi—WU(SchoolofPharmacy,ChongqingMedicalUniversity,Chongqing400016,China)AbstractObjective:Toestablishahigh—throughputmethodfortheanalysisofEphedrasinicaplantsbynearin—flareddiffusereflectancespectro
5、scopycombinedwithchemometrietechniques.Methods:Thenearinfrareddiffusereflectancespectra(NIRDRS)forEphedrasinicaplantsweredetermined.Twotypesofmodelswerebuiltandvali—datedafterspectraprocessinganddatapre—processing,includingthecounter—propagationartificialneuralnetwork(
6、CP—ANN)modelsforthediscriminationsofhabitatsandharvesttimesofEphedrasinicaplantsandthepartialleastsquare(PLS)modelsforthedeterminationsofephedrineandpseud0ephedrine.Results:Thepredictionaccu·raciesoftheCP—ANNmodelsforthevalidationsampleswere100.0%forthehabitatsand80.0%
7、fortheharvesttimes.Forthevalidationsamples,therootmeansquareerrorsofprediction(RMSEPs)ofthePLSmodelswere1.12and0.236,thecorrelationcoeficientsofthepredictionandreferencevalues0.9721and0.9309,separatelyfore—phedrineandpseudoephedrine.Conclusions:Theproposedapproachcould
8、simultaneouslyidentifyhabitatsandhar—vesttimesofEphedrasinicaplantsanddetermineephedrineandpseudoephedrineintheplants
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