J Pharm Biomed Anal. 2012 Feb 23;60:92-7. doi: 10.1016/j.jpba.2011.10.020. Epub 2011 Oct 25.
To rapidly and efficiently measure antioxidant activity (AA) in green tea, near infrared (NIR) spectroscopy was employed with the help of a regression tool in this work. Three different linear and nonlinear regressions tools (i.e. partial least squares (PLS), back propagation artificial neural network (BP-ANN), and support vector machine regression (SVMR)), were systemically studied and compared in developing the model. The model was optimized by a leave-one-out cross-validation, and its performance was tested according to root mean square error of prediction (RMSEP) and correlation coefficient (R(p)) in the prediction set. Experimental results showed that the performance of SVMR model was superior to the others, and the optimum results of the SVMR model were achieved as follow: RMSEP=0.02161 and R(p)=0.9691 in the prediction set. The overall results sufficiently demonstrate that the spectroscopy coupled with the SVMR regression tool has the potential to measure AA in green tea.
为了快速有效地测量绿茶中的抗氧化活性(AA),本工作采用近红外(NIR)光谱法,并借助回归工具。本文系统地研究和比较了三种不同的线性和非线性回归工具(即偏最小二乘法(PLS)、反向传播人工神经网络(BP-ANN)和支持向量机回归(SVMR)),以建立模型。通过留一法交叉验证对模型进行优化,并根据预测集中的预测均方根误差(RMSEP)和相关系数(R(p))对其性能进行测试。实验结果表明,SVMR 模型的性能优于其他模型,SVMR 模型的最佳结果如下:在预测集中,RMSEP=0.02161,R(p)=0.9691。总体结果充分表明,光谱法与 SVMR 回归工具相结合具有测量绿茶 AA 的潜力。