title: Simultaneously detection of calcium and magnesium in various samples by calmagite and chemometrics data processing.
abstract: The current study describes results of the application of radial basis function-partial least squares (RBF-PLS), partial robust M-regression (PRM), singular value decomposition (SVD), evolving factor analysis (EFA), multivariate curve resolution with alternating least squares (MCR-ALS) and rank annihilation factor analysis (RAFA) methods for the purposes of simultaneous determination of trace amounts calcium (Ca(2+)) and magnesium (Mg(2+)) and exploratory analysis based on their colored complexes formation with 1-(1-hydroxy-4-methyl-2-phenylazo)-2-naphthol-4-sulfonic acid (calmagite) as chromomeric reagent. The complex formation Ca(2+) and Mg(2+) with calmagite was investigated under pH10.20. The performance of RBF-PLS model in detection of minerals was compared with PRM as a linear model. The pure concentration and spectral profiles were obtained using MCR-ALS. EFA and SVD were used to distinguish the number species. The stability constants of the complexes were derived using RAFA. Finally, RBF-PLS was utilized for simultaneous determination of minerals in pharmaceutical formulation and various vegetable samples.
authors.affiliation: Department of Chemistry, Faculty of Science, University of Kurdistan, P. O. Box 416, Sanandaj, Iran.
authors.forename: Zolaikha
authors.initials: Z
authors.lastname: Rasouli
authors.affiliation: Department of Chemistry, Faculty of Science, University of Kurdistan, P. O. Box 416, Sanandaj, Iran. Electronic address: r.ghavami@uok.ac.ir.
authors.forename: Raouf
authors.initials: R
authors.lastname: Ghavami
mesh_terms: D001391:Azo Compounds / Q000737:chemistry*; D002118:Calcium / Q000032:analysis*; D002138:Calibration; D005163:Factor Analysis, Statistical; D007202:Indicators and Reagents / Q000737:chemistry; D016018:Least-Squares Analysis; D008274:Magnesium / Q000032:analysis*; D015999:Multivariate Analysis; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D013053:Spectrophotometry / Q000379:methods; D014675:Vegetables / Q000737:chemistry*
chemical_list: D001391:Azo Compounds; D007202:Indicators and Reagents; D004364:Pharmaceutical Preparations; C006876:calmagite; D008274:Magnesium; D002118:Calcium
keywords: Calcium; Calmagite; Chemometrics; Magnesium; Simultaneous determination; Spectrophotometry