Simultaneously detection of calcium and magnesium in various samples by calmagite and chemometrics data processing

  • Spectrochim Acta A Mol Biomol Spectrosc. 2016 Dec 5;169:72-81. doi: 10.1016/j.saa.2016.06.027.
Zolaikha Rasouli  1 Raouf Ghavami  2
Affiliations
  • 1. Department of Chemistry, Faculty of Science, University of Kurdistan, P. O. Box 416, Sanandaj, Iran.
  • 2. Department of Chemistry, Faculty of Science, University of Kurdistan, P. O. Box 416, Sanandaj, Iran. Electronic address: [email protected].
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.

Keywords
Calcium; Calmagite; Chemometrics; Magnesium; Simultaneous determination; Spectrophotometry.
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