College of Science, China Agricultural University, Beijing 100193, PR China.
College of Science, China Agricultural University, Beijing 100193, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2018 Feb 15;191:296-302. doi: 10.1016/j.saa.2017.08.067. Epub 2017 Sep 1.
A novel method, mid-infrared (MIR) spectroscopy, which enables the determination of Chlorantraniliprole in Abamectin within minutes, is proposed. We further evaluate the prediction ability of four wavelength selection methods, including bootstrapping soft shrinkage approach (BOSS), Monte Carlo uninformative variable elimination (MCUVE), genetic algorithm partial least squares (GA-PLS) and competitive adaptive reweighted sampling (CARS) respectively. The results showed that BOSS method obtained the lowest root mean squared error of cross validation (RMSECV) (0.0245) and root mean squared error of prediction (RMSEP) (0.0271), as well as the highest coefficient of determination of cross-validation (Q) (0.9998) and the coefficient of determination of test set (Q) (0.9989), which demonstrated that the mid infrared spectroscopy can be used to detect Chlorantraniliprole in Abamectin conveniently. Meanwhile, a suitable wavelength selection method (BOSS) is essential to conducting a component spectral analysis.
提出了一种新的方法，中红外（MIR）光谱法，可在数分钟内确定阿维菌素中的氯虫苯甲酰胺。我们进一步评估了四种波长选择方法的预测能力，包括自举软收缩方法（BOSS）、蒙特卡罗无信息变量消除（MCUVE）、遗传算法偏最小二乘（GA-PLS）和竞争自适应重加权采样（CARS）。结果表明，BOSS 方法获得了最低的交叉验证均方根误差（RMSECV）（0.0245）和预测均方根误差（RMSEP）（0.0271），以及最高的交叉验证决定系数（Q）（0.9998）和测试集决定系数（Q）（0.9989），这表明中红外光谱法可用于方便地检测阿维菌素中的氯虫苯甲酰胺。同时，进行组分光谱分析时，选择合适的波长选择方法（BOSS）是至关重要的。
