title: Parafac and PLS applied to determination of captopril in pharmaceutical preparation and biological fluids by ultraviolet spectrophotometry.
abstract: A new ultraviolet spectrophotometric method has been developed for the direct qualitative determination of captopril in pharmaceutical preparation and biological fluids such as human plasma and urine samples. The method was accomplished based on parallel factor analysis (PARAFAC) and partial least squares (PLS). The study was carried out in the pH range from 2.0 to 12.8 and with a concentration from 0.70 to 61.50 microg ml(-1) of captopril. Multivariate calibration models PLS at various pH and PARAFAC were elaborated from ultraviolet spectra deconvolution and captopril determination. The best models for this system were obtained with PARAFAC and PLS at pH = 2.04 (PLS-PH2). The applications of the method for the determination of real samples were evaluated by analysis of captopril in pharmaceutical preparations and biological (human plasma and urine) fluids with satisfactory results. The accuracy of the method, evaluated through the root mean square error of prediction (RMSEP), was 0.58 for captopril with PARAFAC and 0.67 for captopril with PLS-PH2 model. Acidity constant of captopril at 25 degrees C and ionic strength of 0.1 M have also been determined spectrophotometrically. The obtained pKa values of captopril are 3.90 +/- 0.05 and 10.03 +/- 0.08 for pKa. and pKa2, respectively.
authors.affiliation: Department of Chemistry, Faculty of Sciences, Azad University of Arak, Arak, Iran. ali.niazi@gmail.com
authors.forename: Ali
authors.initials: A
authors.lastname: Niazi
authors.forename: Nahid
authors.initials: N
authors.lastname: Ghasemi
mesh_terms: D000806:Angiotensin-Converting Enzyme Inhibitors / Q000032:analysis* / Q000097:blood / Q000652:urine; D002216:Captopril / Q000032:analysis* / Q000097:blood / Q000652:urine; D006863:Hydrogen-Ion Concentration; D016018:Least-Squares Analysis; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D015203:Reproducibility of Results; D013056:Spectrophotometry, Ultraviolet
chemical_list: D000806:Angiotensin-Converting Enzyme Inhibitors; D004364:Pharmaceutical Preparations; D002216:Captopril