红外光谱对苏云金杆菌制剂中违禁添加溴虫腈的定量检测

韦芸 夏静静 徐惟馨 陈玥瑶 毛欣然 熊艳梅 闵顺耕

引用本文: 韦芸, 夏静静, 徐惟馨, 陈玥瑶, 毛欣然, 熊艳梅, 闵顺耕. 红外光谱对苏云金杆菌制剂中违禁添加溴虫腈的定量检测[J]. 分析化学, 2022, 50(3): 482-490. doi: 10.19756/j.issn.0253-3820.210794 shu
Citation:  WEI Yun,  XIA Jing-Jing,  XU Wei-Xin,  CHEN Yue-Yao,  MAO Xin-Ran,  XIONG Yan-Mei,  MIN Shun-Geng. Quantitative Study on Prohibited Addition of Chlorfenapyr in Bacillus Thuringiensis Formulations by Infrared Spectroscopy[J]. Chinese Journal of Analytical Chemistry, 2022, 50(3): 482-490. doi: 10.19756/j.issn.0253-3820.210794 shu

红外光谱对苏云金杆菌制剂中违禁添加溴虫腈的定量检测

    通讯作者: 熊艳梅,E-mail:xiongym@cau.edu.cn; 闵顺耕,E-mail:minsg@cau.edu.cn
摘要: 建立了利用衰减全反射傅里叶变换红外光谱(ATR-FTIR)结合偏最小二乘法(PLS)对苏云金杆菌制剂中违禁添加的溴虫腈含量进行快速测定的方法。在3种不同来源的苏云金杆菌制剂中加入不同质量的97.00%(m/m)溴虫腈原药,配制成溴虫腈浓度为0.00%-5.00%的153个混合样品。选择3种预处理方法:Savitzky-Golay卷积平滑法(S-G)、标准正态变换法(SNV)和多元散射校正法(MSC)以及5种变量选择算法:区间偏最小二乘法(iPLS)、移动窗口偏最小二乘法(MWPLS)、无信息变量消除法(UVE)、竞争性自适应重加权采样(CARS)、自助软收缩法(BOSS),考察了不同预处理方法及变量选择方法对模型结果的影响。其中,MSC预处理结合BOSS算法获得最优的模型效果:交叉验证均方根误差(RMSECV)为0.0017,交叉验证集决定系数(Rcv2)为0.9859,预测均方根误差(RMSEP)为0.0016,预测集决定系数(Rpre2)为0.9868。对于溴虫腈含量范围在0.50%-5.00%的样品,外部检验样品预测平均相对误差为0.0540;并且BOSS算法选取的变量主要集中在溴虫腈特征峰的吸收区域。本方法不仅具有优异的模型效果,而且具有很好的化学可解释能力,可用于苏云金杆菌制剂中违禁添加溴虫腈的快速检测。

English


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  • 收稿日期:  2021-10-15
  • 修回日期:  2021-12-28
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