近红外光谱结合化学计量学快速测定羊栖菜抗氧化活性

Rapid Determination of Antioxidant Activity from Sargassum Fusi⁃forme Using Near-infrared Spectroscopy Combined with Chemometrics

基于近红外光谱技术建立了快速、高效的羊栖菜抗氧化活性评价方法。采用紫外-可见分光光度法测定了6批共150个羊栖菜样本的抗氧化活性,包括1,1-二苯基-2-三硝基苯肼(DPPH)自由基清除能力、2,2'-联氮-双-3-乙基苯并噻唑啉-6-磺酸(ABTS)自由基清除能力和铁离子还原能力(FRAP法)。采用NIRS和偏最小二乘法(PLS)建立了3个抗氧化活性指标的定量校正模型,并采用不同光谱预处理方法和竞争性自适应重加权采样(CARS)方法优化模型性能。将校正集相关系数(R_(C))、预测集相关系数(R_(P))、校正集均方根误差(RMSEC)和预测集均方根误差(RMSEP)作为校正模型的评价指标。结果表明,3个定量校正模型的预测精度均较理想,R_(P)和RMSEP分别为0.968和2.42%、0.967和0.73%、0.979和3.60μmol/L。基于NIRS和CARSPLS所构建的方法可以成功用于羊栖菜的抗氧化活性测定,具备分析快速、操作简便、经济环保的优点,对保障羊栖菜品质、提升羊栖菜品质控制水平有一定的指导意义。

The evaluation of antioxidant activity of Sargassum fusiforme is of great importance to pro⁃tect the interests of consumers.In view of the fact that the traditional analytical methods of Sargassum fusiforme are usually time-consuming and laborious,this study established a rapid and efficient meth⁃od for the evaluation of antioxidant activity of Sargassum fusiforme based on near infrared spectroscopy(NIRS).The antioxidative activity indexes(DPPH free radical scavenging ability,ABTS free radical scavenging ability and FRAP method)of 150 Sargassum fusiforme samples in six batches were deter⁃mined by ultraviolet-visible spectrophotometry.Quantitative calibration models for four antioxidant activity indexes were established with partial least squares(PLS),and different spectral preprocess⁃ing methods and competitive adaptive reweighted sampling(CARS)method were used to optimize the performance of the model.The correlation coefficient of calibration set(R_(C)),correlation coefficient of prediction set(R_(P)),root mean square error of calibration set(RMSEC)and root mean square error of prediction set(RMSEP)were used as the evaluation indicators of the calibration model.The results showed that the prediction accuracies of the three quantitative calibration models were all ideal,with R_(P) and RMSEP of 0.968 and 2.42%,0.967 and 0.73%,0.979 and 3.60μmol/L,respectively.The study confirmed that the method based on NIRS and CARS-PLS can be successfully used to de⁃termine the antioxidant activity of Sargassum fusiforme,which has the advantages of rapid analysis,simple operation,economy and environmental protection,and has certain guiding significance for ensuring the quality of Sargassum fusiforme and improving the quality control of Sargassum fusiforme.