title: Application and validation of chemometrics-assisted spectrophotometry and liquid chromatography for the simultaneous determination of six-component pharmaceuticals.
abstract: Three methods are developed for the simultaneous determination of theophylline anhydrous (TH), guaiphenesin (GP), diphenhydramine hydrochloride (DP), methylparaben (MP), propylparaben (PP) and sodium benzoate (BZ) in pharmaceutical syrup. The chromatographic method depends on a high performance liquid chromatographic separation on a reversed-phase C(18) column at ambient temperature with mobile phase consisting of 25 mM KH2PO4, pH 3.2-acetonitrile (60:40, v/v). Quantitation was achieved with UV detection at 222 nm based on peak area. The other two chemometric methods applied were partial least squares (PLS-1) and principal component regression (PCR). These approaches were successfully applied to quantify the six components in the studied mixture using information included in the UV absorption spectra of appropriate solutions in the wavelength range of 220-270 nm with Deltalambda=0.4 nm. The calibration PLS-1 and PCR models were evaluated by internal validation (prediction of compounds in its own designed training set of calibration), by cross-validation (obtaining statistical parameters that show the efficiency for a calibration fit model) and by external validation over synthetic and pharmaceutical preparation. The results of PLS-1 and PCR methods were compared with the HPLC method and a good agreement was found.
authors.affiliation: Pharmaceutical Analytical Chemistry Department, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt. chemomet78@yahoo.com
authors.forename: Alaa
authors.initials: A
authors.lastname: El-Gindy
authors.forename: Samy
authors.initials: S
authors.lastname: Emara
authors.forename: Ahmed
authors.initials: A
authors.lastname: Mostafa
mesh_terms: D000996:Antitussive Agents / Q000032:analysis; D001993:Bronchodilator Agents / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D045424:Complex Mixtures / Q000737:chemistry*; D004155:Diphenhydramine / Q000032:analysis; D005100:Expectorants / Q000032:analysis; D006140:Guaifenesin / Q000032:analysis; D016018:Least-Squares Analysis; D010226:Parabens / Q000032:analysis; D011310:Preservatives, Pharmaceutical / Q000032:analysis; D025341:Principal Component Analysis; D015203:Reproducibility of Results; D020160:Sodium Benzoate / Q000032:analysis; D013056:Spectrophotometry, Ultraviolet / Q000379:methods*; D013678:Technology, Pharmaceutical; D013806:Theophylline / Q000032:analysis
chemical_list: D000996:Antitussive Agents; D001993:Bronchodilator Agents; D045424:Complex Mixtures; D005100:Expectorants; D010226:Parabens; D011310:Preservatives, Pharmaceutical; D006140:Guaifenesin; D004155:Diphenhydramine; C015358:methylparaben; D013806:Theophylline; D020160:Sodium Benzoate; C006068:propylparaben