摘要
目的:开发基于近红外光谱的地稔抗氧化活性快速预测方法。方法:采用1,1-二苯基-2-苦腈基(DPPH)法测定地稔水提液的抗氧化活性;采集10000~4000 cm^-1的近红外光谱;优化光谱预处理方法和波数范围,建立抗氧化活性与近红外光谱的偏最小二乘回归模型;采用Visual Basic开发应用软件,将模型的预测公式嵌套入软件,为后续待测溶液抗氧化活性的快速分析提供工具。结果:基于所开发的应用软件,采集待测溶液的近红外光谱并点击"预测"后,可在5 s内得到抗氧化活性的预测结果。抗氧化活性的近红外光谱预测值和DPPH测定值之间有良好的线性关系,校正相关系数为0.874,校正相对误差为2.09%;验证相关系数为0.844,预测相对误差为2.18%。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 predicting antioxidant activity of Melastoma dodecandrum based on near infrared spectroscopy.Methods:The antioxidant activity of Melastoma dodecandrum in aqueous extract solutions was detected using 1,1-diphenyl-2-picrylhydrazyl(DPPH)method.The near infrared spectra of 10000-4000 cm^-1 were collected.The optimal partial least squares regression model of antioxidant activity was established after optimizing the preprocessing method and wavenumber range.The software was devised to provide a tool for the rapid determination of antioxidant activity in the follow-up samples using visual basic language as the integrated development environment.Results:On the basis of the software,the antioxidant activity can be calculated automatically within 5 s after collecting the near infrared spectra and clicking"Predict".The correlation coefficient of calibration and the relative standard error of calibration were 0.874 and 2.09%,respectively.The correlation coefficient of validation and the relative standard error of prediction were 0.844 and 2.18%,respectively.Conclusions:This study provided a rapid method for the quality evaluation of Melastoma dodecandrum.
作者
蒋程
许平翠
王绪平
陈礼平
张晓芹
王娜妮
JIANG Cheng;XU Ping-cui;WANG Xu-ping;CHEN Li-ping;ZHANG Xiao-qin;WANG Na-ni(Department of Pharmacy,Tongde Hospital of Zhejiang Province,Hangzhou 310012,China;Department of Medicine,Zhejiang Academy of Traditional Chinese Medicine,Hangzhou 310007,China;Lishui Traditional Chinese Medicine Hospital,Lishui 323000,China)
出处
《药物分析杂志》
CAS
CSCD
北大核心
2020年第5期927-932,共6页
Chinese Journal of Pharmaceutical Analysis
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)。
关键词
地稔
近红外光谱
抗氧化活性
偏最小二乘回归
快速预测
Melastoma dodecandrum
near infrared spectroscopy
antioxidant activity
partial least squares regression
rapid prediction
