Artificial neural network for simultaneous determination of two components of compound paracetamol and diphenhydramine hydrochloride powder on NIR spectroscopy

被引:54
作者
Dou, Y
Sun, Y
Ren, YQ
Ren, YL
机构
[1] Jilin Univ, Coll Chem, Dept Chem, Changchun 130021, Jilin, Peoples R China
[2] Changchun Med Coll, Dept Pharm, Changchun 130031, Peoples R China
[3] Baicheng Med Coll, Baicheng 137000, Peoples R China
关键词
artificial neural networks; NIR spectroscopy; degree of approximation; compound paracetamol and diphenhydramine hydrochloride powder;
D O I
10.1016/j.aca.2004.10.050
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Diffuse reflectance near-infrared (NIR) spectroscopy is a technique widely used for rapid and non-destructive analysis of solid samples. A method for simultaneous analysis of the two components of compound paracetamol and diphenhydramine hydrochloride powdered drug has been developed by using artificial neural network (ANN) on near-infrared (NIR) spectroscopy. An ANN containing three layers of nodes was trained. Various ANN models based on pretreated spectra (first-derivative. second-derivative and standard normal variate: SNV) were tested and compared, respectively. In the models the concentration of paracetamol and caffeine as active principles of compound paracetamol and diphenhydramine hydrochloride powder was determined simultaneously. Partial least squares regression (PLS) multivariaie calibrations were also used, which were compared with ANN. The best model was obtained at first-derivative spectra. We have also discussed the parameters that affected the networks and predicted the test set (unknown) specimens. The degree of approximation, a new evaluation criteria of the network were employed, which proved the accuracy of the predicted results. (C) 2004 Elsevier B.V. All rights reserved.
引用
收藏
页码:55 / 61
页数:7
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