Determination of compound aminopyrine phenacetin tablets by using artificial neural networks combined with principal components analysis

被引:27
作者
Dou, Y
Mi, H
Zhao, LZ
Ren, YQ
Ren, YL [1 ]
机构
[1] Jilin Univ, Coll Chem, Dept Analyt Chem, Changchun 130021, Peoples R China
[2] Jilin Inst Tradit Chinese Med, Changchun 130021, Peoples R China
[3] Baicheng Med Coll, Baicheng 137000, Peoples R China
关键词
artificial neural networks; preprocessing; degree of approximation; compound aminopyrine phenacetin tablets;
D O I
10.1016/j.ab.2005.10.041
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
A method for simultaneous, nondestructive analysis of aminopyrine and phenacetin in compound aminopyrine phenacetin tablets with different concentrations has been developed by principal component artificial neural networks (PC-ANNs) on near-infrared (NIR) spectroscopy. In PC-ANN models, the spectral data were initially analyzed by principal component analysis. Then the scores of the principal components were chosen as input nodes for the input layer instead of the spectral data. The artificial neural network models using the spectral data as input nodes were also established and compared with the PC-ANN models. Four different preprocessing methods (first-derivative, second-derivative, standard normal variate (SNV), and multiplicative scatter correction) were applied to three sets of NIR spectra of compound aminopyrine phenacetin tablets. The PC-ANNs approach with SNV preprocessing spectra was found to provide the best results. The degree of approximation was performed as the selective criterion of the optimum network parameters. (c) 2005 Elsevier Inc. All rights reserved.
引用
收藏
页码:174 / 180
页数:7
相关论文
共 29 条
[1]   Basic concepts of artificial neural network (ANN) modeling and its application in pharmaceutical research [J].
Agatonovic-Kustrin, S ;
Beresford, R .
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2000, 22 (05) :717-727
[2]   Application of neural networks for response surface modeling in HPLC optimization [J].
Agatonovic-Kustrin, S ;
Zecevic, M ;
Zivanovic, L ;
Tucker, IG .
ANALYTICA CHIMICA ACTA, 1998, 364 (1-3) :265-273
[3]  
Barnes R. J., 1993, J NEAR INFRARED SPEC, V1, P185, DOI [DOI 10.1255/JNIRS.21, 10.1255/jnirs.21]
[4]   STANDARD NORMAL VARIATE TRANSFORMATION AND DE-TRENDING OF NEAR-INFRARED DIFFUSE REFLECTANCE SPECTRA [J].
BARNES, RJ ;
DHANOA, MS ;
LISTER, SJ .
APPLIED SPECTROSCOPY, 1989, 43 (05) :772-777
[5]   Determination of physical properties of bitumens by use of near-infrared spectroscopy with neural networks.: Joint modelling of linear and non-linear parameters [J].
Blanco, M ;
Maspoch, S ;
Villarroya, I ;
Peralta, X ;
González, JM ;
Torres, J .
ANALYST, 2001, 126 (03) :378-382
[6]   An artificial neural network model for predicting flavour intensity in blackcurrant concentrates [J].
Boccorh, RK ;
Paterson, A .
FOOD QUALITY AND PREFERENCE, 2002, 13 (02) :117-128
[7]   Application of nonlinear and local modeling methods for 3D QSAR study of class I antiarrhythmics [J].
Borosy, AP ;
Keseru, K ;
Mátyus, P .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2000, 54 (02) :107-122
[8]   Artificial neural network model for predicting α-turn types [J].
Cai, YD ;
Chou, KC .
ANALYTICAL BIOCHEMISTRY, 1999, 268 (02) :407-409
[9]   The influence of data pre-processing in the pattern recognition of excipients near-infrared spectra [J].
Candolfi, A ;
De Maesschalck, R ;
Jouan-Rimbaud, D ;
Hailey, PA ;
Massart, DL .
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 1999, 21 (01) :115-132
[10]   Development of a robust calibration model for nonlinear in-line process data [J].
Despagne, F ;
Massart, DL ;
Chabot, P .
ANALYTICAL CHEMISTRY, 2000, 72 (07) :1657-1665