| 地稔水提液抗氧化活性的紫外光谱快速预测方法 |
| 投稿时间：2021-01-12 修订日期：2021-07-13 点此下载全文 |
| 引用本文：蒋程,许平翠,吴人杰,张晓芹,陈礼平,王娜妮.地稔水提液抗氧化活性的紫外光谱快速预测方法[J].药学实践杂志,2022,40(1):48~52 |
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| 基金项目:国家自然科学基金(82104383)；浙江省基础公益研究计划项目（LY20H280003）；浙江省中医药（中西医结合）重点学科建设项目（2017-XK-A50）；浙江省中西医结合学会临床药学科研基金项目（2016LYK015）；浙江省丽水市重点科技创新团队建设计划项目（2018cxtd06）；丽水市重点研发项目（2021ZDYF16）；丽水市公益性项目（2021GYX18） |
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| 中文摘要:目的 建立基于紫外光谱和偏最小二乘回归算法的地稔水提液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）自由基清除活性表征地稔水提液的抗氧化活性，采集190～600 nm的紫外光谱，通过优化光谱波长范围和预处理方法，建立抗氧化活性与紫外光谱的最优偏最小二乘回归模型。采用Visual Basic开发应用软件，将最优模型嵌套入软件，为快速分析待测地稔水提液的抗氧化活性提供工具。结果 紫外光谱的最优波长范围为200～290 nm，将光谱经标准化处理后建立抗氧化活性的最优偏最小二乘回归模型，校正集相关系数、拟合均方根误差、交叉验证均方根误差分别为0.887、2.20%、2.17%，验证集相关系数、预测均方根误差分别为0.868、2.08%，平均预测回收率为（100.1±2.3）%。基于所开发的软件，采集待测地稔水提液的紫外光谱后，通过软件中的预测功能可在2 s内得到抗氧化活性的快速预测结果。结论 本方法可为地稔水提液抗氧化活性的快速预测提供依据。 |
| 中文关键词:地稔 水提液 抗氧化活性 紫外光谱 偏最小二乘回归 |
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| Rapid prediction of antioxidant activity in aqueous extract solutions of melastoma dodecandrum by ultraviolet spectroscopy |
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| Abstract:Objective To establish a rapid prediction method of the antioxidant activity in aqueous extract solutions of Melastoma dodecandrum based on ultraviolet spectroscopy and partial least squares regression algorithm. Methods The DPPH free radical scavenging effect was used to characterize the antioxidant activity of aqueous extract solutions of Melastoma dodecandrum. The ultraviolet spectra of 190-600 nm were collected. The partial least squares regression model of antioxidant activity was established after optimizing the wavelength range and preprocessing method. The software was devised using Visual Basic as the integrated development environment to provide a convenient tool for the rapid determination of antioxidant activity. Results The optimal partial least squares regression model was established based on 200-290 nm as wavelength range and unit variance scaling as preprocessing method. The correlation coefficient of calibration, root mean square error of estimation, root mean square error of cross-validation was 0.887, 2.20% and 2.17%, respectively. The correlation coefficient of validation, root mean square error of prediction was 0.868, 2.08%. The average predicted recovery was 100.1±2.3%. With the predictive function in the software, the antioxidant activity of aqueous extract solution of Melastoma dodecandrum can be calculated automatically within 2 s after collecting the ultraviolet spectra. Conclusions This study provides a rapid method for the prediction of antioxidant activity in aqueous extract solutions of Melastoma dodecandrum. |
| keywords:Melastoma dodecandrum aqueous extract solution antioxidant activity ultraviolet spectroscopy partial least squares regression |
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