基于电子舌法对中药苦味化合物苦度的预测  

Bitterness intensity prediction of bitter compounds of traditional Chinese medicine based on an electronic tongue

作　　者：李学林[1,2] 桂新景 刘瑞新[1,2] 高晓洁[1] 孟祥乐[2] 陈鹏举[1] 康冰亚[2] 张璐[2] 施钧瀚[2] 

机构地区：[1]河南中医学院,郑州450046 [2]河南中医学院第一附属医院药学部,郑州450000

出　　处：《中国新药杂志》2016年第11期1307-1314,共8页Chinese Journal of New Drugs

基　　金：国家自然科学基金青年基金项目(81001646);河南中医学院省属高校基本科研业务费优青培育项目(2014KYYWF-YQ01);河南省中医管理局中医药科学研究专项课题(2014ZY02066);天江药业横向联合项目(XZ2011030042);中国博士后科学基金特别资助项目(2015T80772)

摘　　要：目的:建立一种基于电子舌对药物的苦度进行预测的方法。方法:以盐酸小檗碱为参比,苦参碱和氧化苦参碱为模型药物,基于25位口尝评价员的口感评价结果和TS-5000Z电子舌传感器的味觉信息数据建立相应的苦度预测模型(BMP),并使用交互验证和残差分析法对模型拟合精度和优度进行评价,对电子舌预测苦味化合物苦度能力进行探索和评价。结果:本研究建立的电子舌对苦参碱和氧化苦参碱的苦度预测模型决定系数R^2分别为0.895 5(P<0.01,n=6)和0.979 3(P<0.01,n=6),均方根误差RMSE分别是0.563 1和0.290 3;交互验证的预测值与真实值之间的相关系数R分别为0.963 9(P<0.01,n=4)和0.953 5(P<0.01,n=4),交互验证均方根误差RMSECV分别为0.306 9,0.276 5;标准化残差在±2.776范围内呈随机分布,显示回归结果较好。结论:本研究建立的模型拟合精度和拟合优度均较高,能够较准确的预测苦参碱和氧化苦参碱的苦度,可以作为苦参碱和氧化苦参碱溶液苦度预测的模型,并为其他药物苦度预测模型的建立提供参考。Objective： To establish a method that can predict the bitterness intensity of drugs based on an electronic tongue. Methods： The bitter prediction model（ BMP） was established based on the taste evaluation of25 tasting assessors and the taste information data from TS-5000 Z electronic tongue sensors. Berberine was used as the reference,and matrine and oxymatrine were the model drugs. The cross-validation and model fitting residual analysis method were used to evaluate the accuracy and goodness of BMP. The finnal intention was to explore and evaluate the prediction ability of the electronic tongue in terms of bitter compounds of traditional Chinese medicine.Results： The R^2（ determination coefficient） of the electronic tongue to bitter prediction models of matrine and oxymatrine established in this paper were 0. 895 5（ P 〈0. 01,n = 6） and 0. 979 3（ P 〈0. 01,n = 6）; the RMSE were 0. 563 1 and 0. 290 3; R（ correlation coefficient） between predictive value and true value of the cross-validation were 0. 963 9（ P 〈0. 01,n = 4） and 0. 953 5（ P 〈0. 01,n = 4）; the RMSECV（ Root Mean Square Error of CrossValidation） were 0. 306 9 and 0. 276 5; the standardized residuals were randomly distributed within the range of± 2. 776 and regression results were good. Conclusion： The fitting precision and goodness-of-fit of the established model in this study are high,and this model can accurately predict the bitterness degree of matrine and oxymatrine.Therefore,this model is able to predict the bitterness degree of matrine and oxymatrine,as well as provide reference for the establishment of bitterness prediction models of other drugs.

关 键 词：电子舌 苦度 苦度预测模型 苦参碱 氧化苦参碱 交互验证 

分 类 号：R943[医药卫生—药剂学]