基于近红外光谱的地稔抗氧化活性快速预测方法研究

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10 000～4 000 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 10 000-4 000 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.

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