<p>Chemical analysis of nine water samples and subsequently, clustering of them based on the constructed sensor array was successfully performed. Principal component analysis (PCA) was used to reveal data structure and discrimination between water samples. Results showed that two first principal components (PCs) accounted for 94.40% of the total variance. In score plot, clear separate zones were obtained for studied water samples. This successful differentiation was obtained by limited but important water characteristics like total hardness and Mg<sup>2+</sup>, Cl<sup>−</sup> and HCO<sub>3</sub><sup>−</sup> content without using any instrument. Using scores of the kinetic spectrophotometric data of the water samples in the presence of silver nanoparticles (AgNPs), relations between scores and water constituents like total hardness (with R<sup>2</sup> = 0.9219) and bicarbonate (with R<sup>2</sup> = 0.7386) was deduced. Moreover, the relation can be used to predict these parameters for water samples based on the underlying model. The method can be used to compare the quality of the water samples.</p>

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Relation between principal components of kinetic spectrophotometric data of mineral waters in the presence of silver nanoparticles and classification based on the sensor array of chemical variables

  • Yalda Mozaffari,
  • Masoud Shariati-Rad

摘要

Chemical analysis of nine water samples and subsequently, clustering of them based on the constructed sensor array was successfully performed. Principal component analysis (PCA) was used to reveal data structure and discrimination between water samples. Results showed that two first principal components (PCs) accounted for 94.40% of the total variance. In score plot, clear separate zones were obtained for studied water samples. This successful differentiation was obtained by limited but important water characteristics like total hardness and Mg2+, Cl and HCO3 content without using any instrument. Using scores of the kinetic spectrophotometric data of the water samples in the presence of silver nanoparticles (AgNPs), relations between scores and water constituents like total hardness (with R2 = 0.9219) and bicarbonate (with R2 = 0.7386) was deduced. Moreover, the relation can be used to predict these parameters for water samples based on the underlying model. The method can be used to compare the quality of the water samples.