title: Simultaneous determination of penicillin G salts by infrared spectroscopy: Evaluation of combining orthogonal signal correction with radial basis function-partial least squares regression.
abstract: In this study, a new method for the simultaneous determination of penicillin G salts in pharmaceutical mixture via FT-IR spectroscopy combined with chemometrics was investigated. The mixture of penicillin G salts is a complex system due to similar analytical characteristics of components. Partial least squares (PLS) and radial basis function-partial least squares (RBF-PLS) were used to develop the linear and nonlinear relation between spectra and components, respectively. The orthogonal signal correction (OSC) preprocessing method was used to correct unexpected information, such as spectral overlapping and scattering effects. In order to compare the influence of OSC on PLS and RBF-PLS models, the optimal linear (PLS) and nonlinear (RBF-PLS) models based on conventional and OSC preprocessed spectra were established and compared. The obtained results demonstrated that OSC clearly enhanced the performance of both RBF-PLS and PLS calibration models. Also in the case of some nonlinear relation between spectra and component, OSC-RBF-PLS gave satisfactory results than OSC-PLS model which indicated that the OSC was helpful to remove extrinsic deviations from linearity without elimination of nonlinear information related to component. The chemometric models were tested on an external dataset and finally applied to the analysis commercialized injection product of penicillin G salts.
authors.affiliation: Department of Chemistry, Faculty of Science, Alzahra University, Vanak, Tehran, Iran. ztalebpour@alzahra.ac.ir
authors.forename: Zahra
authors.initials: Z
authors.lastname: Talebpour
authors.forename: Roya
authors.initials: R
authors.lastname: Tavallaie
authors.forename: Seyyed Hamid
authors.initials: SH
authors.lastname: Ahmadi
authors.forename: Assem
authors.initials: A
authors.lastname: Abdollahpour
mesh_terms: D002138:Calibration; D006801:Humans; D016018:Least-Squares Analysis; D010400:Penicillin G / Q000737:chemistry*; D012492:Salts / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods* / Q000592:standards
chemical_list: D012492:Salts; D010400:Penicillin G