title: Nondestructive determination of compound amoxicillin powder by NIR spectroscopy with the aid of chemometrics.
abstract: Near-infrared (NIR) spectroscopy, in combination with chemometrics, enables nondestructive analysis of solid samples without time-consuming sample preparation methods. A new method for the nondestructive determination of compound amoxicillin powder drug via NIR spectroscopy combined with an improved neural network model based on principal component analysis (PCA) and radial basis function (RBF) neural networks is investigated. The PCA technique is applied to extraction relevant features from lots of spectra data in order to reduce the input variables of the RBF neural networks. Various optimum principal component analysis--radial basis function (PCA-RBF) network models based on conventional spectra and preprocessing spectra (standard normal variate (SNV) and multiplicative scatter correction (MSC)) have been established and compared. Principal component regression (PCR) and partial least squares (PLS) multivariate calibrations are also used, which are compared with PCA-RBF neural networks. Experiment results show that the proposed PCA-RBF method is more efficient than PCR and PLS multivariate calibrations. And the PCA-RBF approach with SNV preprocessing spectra is found to provide the best performance.
authors.affiliation: College of Chemistry, Jilin University, Changchun 130021,China.
authors.forename: Nan
authors.initials: N
authors.lastname: Qu
authors.forename: Mingchao
authors.initials: M
authors.lastname: Zhu
authors.forename: Hong
authors.initials: H
authors.lastname: Mi
authors.forename: Ying
authors.initials: Y
authors.lastname: Dou
authors.forename: Yulin
authors.initials: Y
authors.lastname: Ren
mesh_terms: D000658:Amoxicillin / Q000737:chemistry*; D002138:Calibration; D008956:Models, Chemical; D008958:Models, Molecular; D011208:Powders; D019265:Spectroscopy, Near-Infrared
chemical_list: D011208:Powders; D000658:Amoxicillin