A novel approach is proposed for direct quantitative analysis of thiabendazole in the orange extract by using excitation-emission matrix fluorescence coupled with second-order calibration methods based on the alternat...A novel approach is proposed for direct quantitative analysis of thiabendazole in the orange extract by using excitation-emission matrix fluorescence coupled with second-order calibration methods based on the alternating trilinear decomposition(ATLD) and the alternating normalization-weighted error(ANWE) algorithms,respectively. The average recoveries of thiabendazole in the orange extract by using ATLD and ANWE with an estimated component number of two were 99.7 ± 3.3% and 103.5 ± 4.1%,respectively. Furthermore,the accuracy of the two algorithms was also evaluated through elliptical joint confidence region(EJCR) tests as well as figures of merit,such as sensitivity(SEN),selectivity(SEL) and limit of detection(LOD). The experimental results demonstrate that both algorithms have been satisfactorily applied to the determination of thiabendazole in orange extract,and the perform-ance of ANWE is slightly better than that of ATLD.展开更多
多环芳烃(PAHs)是煤,石油,木材,烟草等燃料和有机高分子化合物等有机物不完全燃烧时产生的一种持久性有机污染物。迄今已发现有200多种PAHs,其中有多种PAHs具有致癌性。PAHs广泛分布于我们生活的环境中,水中的PAHs主要来源于生活污水,...多环芳烃(PAHs)是煤,石油,木材,烟草等燃料和有机高分子化合物等有机物不完全燃烧时产生的一种持久性有机污染物。迄今已发现有200多种PAHs,其中有多种PAHs具有致癌性。PAHs广泛分布于我们生活的环境中,水中的PAHs主要来源于生活污水,工业排水和大气沉降。使用三维荧光光谱法,结合BP神经网络与交替三线性分解(ATLD)算法对水中的PAHs进行定性和定量分析。以苊(ANA)和芴(FLU)2种PAHs为目标分析物,用甲醇(光谱级)制备样本。使用FS920稳态荧光光谱仪对样本进行检测,设置激发波长为200~370nm,间隔10nm记录一个数据;发射波长为240~390nm,间隔2nm记录一个数据。设置初始发射波长总是滞后激发波长40nm,以消除一级瑞利散射的干扰。随后使用BP神经网络法对待测样本数据进行预处理。利用BP神经网络基于误差反向传播算法(error back propagation training,BP)原理,对测得的三维荧光数据进行数据压缩处理,该方法具有柔性的网络结构与很强的非线性映射能力,网络的输入层、隐含层和输出层的神经元个数可根据实际情况设定,并且网络的结构不同时,性能也有所差异。随后,用ATLD算法分解预处理后的三维荧光光谱数据。采用核一致诊断法确定待测样本的组分数为2。结果表明,ATLD算法分解得到两种PAHs(ANA和FLU)的激发、发射光谱图与目标光谱非常相似,能实现光谱重叠严重的PAHs(ANA和FLU)的快速定性和定量分析,实现了以“数学分离”代替“化学分离”。将预测样本导入训练好的BP神经网络中,得到处理后待测样本数据的网络均方差(MSE)均小于0.003,网络的峰值信噪比(PSNR)均大于120dB(数据压缩中典型的峰值信噪比值在30~40dB之间,越高越好),可见BP神经网络对样本数据的压缩效果较好。BP神经网络训练后,得到输出值与目标值之间的拟合度高,拟合系数达0.998,具有较好的数据压缩效果。使�展开更多
A novel methodology that combines high performance liquid chromatography with photodiode-array detector （HPLC-DAD） coupled with second-order calibration method based on alternating trilinear decomposition （ATLD） a...A novel methodology that combines high performance liquid chromatography with photodiode-array detector （HPLC-DAD） coupled with second-order calibration method based on alternating trilinear decomposition （ATLD） algorithm was used in determination of the effective constituents such as costunolide and dehydrocostuslactone, in plasma sample and Chinese patent medicine Xiang Sha Yang Wei （XSYW） capsule. Complicated systems such as plasma and Chinese patent medicine which have intricate components are tedious to isolate and purify. The problem that chromatographic peaks are heavily overlapped among the analytes and interferents from the background matrices can be resolved, and the satisfactory quantification results have been gained with the help of the ATLD algorithm which utilized ＂mathematical separation＂ instead of partial ＂physical or chemical separation＂. Meanwhile, HPLC-MS/MS method was used to validate the accuracy of the proposed determination method.展开更多
基金Supported by the National Natural Science Foundation of China (Grant Nos. 20775025 and 20435010)973 Advanced Research Project (Grant No. 2007CB- 216404)
文摘A novel approach is proposed for direct quantitative analysis of thiabendazole in the orange extract by using excitation-emission matrix fluorescence coupled with second-order calibration methods based on the alternating trilinear decomposition(ATLD) and the alternating normalization-weighted error(ANWE) algorithms,respectively. The average recoveries of thiabendazole in the orange extract by using ATLD and ANWE with an estimated component number of two were 99.7 ± 3.3% and 103.5 ± 4.1%,respectively. Furthermore,the accuracy of the two algorithms was also evaluated through elliptical joint confidence region(EJCR) tests as well as figures of merit,such as sensitivity(SEN),selectivity(SEL) and limit of detection(LOD). The experimental results demonstrate that both algorithms have been satisfactorily applied to the determination of thiabendazole in orange extract,and the perform-ance of ANWE is slightly better than that of ATLD.
文摘多环芳烃(PAHs)是煤,石油,木材,烟草等燃料和有机高分子化合物等有机物不完全燃烧时产生的一种持久性有机污染物。迄今已发现有200多种PAHs,其中有多种PAHs具有致癌性。PAHs广泛分布于我们生活的环境中,水中的PAHs主要来源于生活污水,工业排水和大气沉降。使用三维荧光光谱法,结合BP神经网络与交替三线性分解(ATLD)算法对水中的PAHs进行定性和定量分析。以苊(ANA)和芴(FLU)2种PAHs为目标分析物,用甲醇(光谱级)制备样本。使用FS920稳态荧光光谱仪对样本进行检测,设置激发波长为200~370nm,间隔10nm记录一个数据;发射波长为240~390nm,间隔2nm记录一个数据。设置初始发射波长总是滞后激发波长40nm,以消除一级瑞利散射的干扰。随后使用BP神经网络法对待测样本数据进行预处理。利用BP神经网络基于误差反向传播算法(error back propagation training,BP)原理,对测得的三维荧光数据进行数据压缩处理,该方法具有柔性的网络结构与很强的非线性映射能力,网络的输入层、隐含层和输出层的神经元个数可根据实际情况设定,并且网络的结构不同时,性能也有所差异。随后,用ATLD算法分解预处理后的三维荧光光谱数据。采用核一致诊断法确定待测样本的组分数为2。结果表明,ATLD算法分解得到两种PAHs(ANA和FLU)的激发、发射光谱图与目标光谱非常相似,能实现光谱重叠严重的PAHs(ANA和FLU)的快速定性和定量分析,实现了以“数学分离”代替“化学分离”。将预测样本导入训练好的BP神经网络中,得到处理后待测样本数据的网络均方差(MSE)均小于0.003,网络的峰值信噪比(PSNR)均大于120dB(数据压缩中典型的峰值信噪比值在30~40dB之间,越高越好),可见BP神经网络对样本数据的压缩效果较好。BP神经网络训练后,得到输出值与目标值之间的拟合度高,拟合系数达0.998,具有较好的数据压缩效果。使�
文摘A novel methodology that combines high performance liquid chromatography with photodiode-array detector （HPLC-DAD） coupled with second-order calibration method based on alternating trilinear decomposition （ATLD） algorithm was used in determination of the effective constituents such as costunolide and dehydrocostuslactone, in plasma sample and Chinese patent medicine Xiang Sha Yang Wei （XSYW） capsule. Complicated systems such as plasma and Chinese patent medicine which have intricate components are tedious to isolate and purify. The problem that chromatographic peaks are heavily overlapped among the analytes and interferents from the background matrices can be resolved, and the satisfactory quantification results have been gained with the help of the ATLD algorithm which utilized ＂mathematical separation＂ instead of partial ＂physical or chemical separation＂. Meanwhile, HPLC-MS/MS method was used to validate the accuracy of the proposed determination method.
