基于紫外光谱和偏最小二乘回归算法的畲药地稔中浸出物和6种活性成分快速预测方法  

Rapid Prediction of Extractum and Six Active Components in Traditional She Medicine-Melastoma Dodecandrum Lour. by Ultraviolet Spectroscopy and Partial Least Squares Regression Algorithm

作　　者：蒋程[1,2] 寿旦 俞忠明[2] 许平翠[2] 王绪平 陈礼平[3] 张晓芹[3] 王娜妮[2] JIANG Cheng;SHOU Dan;YU Zhongming;XU Pingcui;WANG Xuping;CHEN Liping;ZHANG Xiaoqin;WANG Nani(Department of Pharmacy,Tongde Hospital of Zhejiang Province,Hangzhou 310012,China;Zhejiang Academy of Traditional Chinese Medicine,Hangzhou 310007,China;Lishui Traditional Chinese Medicine Hospital,Lishui 323000,China)

机构地区：[1]浙江省立同德医院药学部,杭州310012 [2]浙江省中医药研究院,杭州310007 [3]丽水市中医院,浙江丽水323000

出　　处：《中国现代应用药学》2020年第13期1574-1579,共6页Chinese Journal of Modern Applied Pharmacy

基　　金：浙江省中医药(中西医结合)重点学科建设项目(2017-XK-A50);浙江省丽水市重点科技创新团队建设计划项目(2018cxtd06)。

摘　　要：目的建立基于紫外光谱的畲药地稔中浸出物、没食子酸、阿魏酸、芦丁、槲皮素、木犀草素、山奈酚的快速分析方法。方法测定地稔水提液中的浸出物和6种化合物浓度,采集紫外光谱。采用SIMCA-P+软件,分别建立浸出物、6种化合物浓度与紫外光谱的偏最小二乘回归模型。采用Visual Basic开发应用软件,将所建模型嵌套入软件,为同时快速分析待测溶液中浸出物和6种化合物浓度提供工具。结果验证集浸出物和6种化合物浓度的预测均方根误差分别为39.1,0.263,19.0,93.8,0.894,0.593,0.896 ng·mL^-1,预测值和真实值的相关系数均>0.9,并通过软件在10 s内得到了浸出物和6种化合物浓度的预测结果。结论本方法可为地稔的快速质量评价提供依据。OBJECTIVE To establish a rapid method for the determination of the extractum,gallic acid,ferulic acid,rutin,quercetin,luteolin and kaempferol in traditional She medicine-Melastoma dodecandrum by ultraviolet spectroscopy.METHODS The contents of extractum and 6 components in aqueous extract solutions of Melastoma dodecandrum were detected and the ultraviolet spectra were collected.The partial least squares regression models of extractum and 6 components were established separately with the use of SIMCA-P+software.The software was devised by using Visual Basic,embeded the model into software.This method provided a convenient tool for the simultaneous and rapid determination of extractum and 6 components in unknown samples.RESULTS The root mean square error of predictions for extractum and 6 components were 39.1,0.263,19.0,93.8,0.894,0.593,0.896 ng·mL^-1,respectively.The correlation coefficients between the predicted and the reference values for validation set were>0.9 and the predicted contents of extractum and 6 components were calculated automatically within 10 s.CONCLUSION This study provides a rapid method for the quality evaluation of Melastoma dodecandrum Lour.

关 键 词：地稔 紫外光谱 偏最小二乘回归 

分 类 号：R284.1[医药卫生—中药学]