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Application of modern chemometric methods to the study of equilibria in solutions

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Abstract

The possibility of the spectrometric-chemometric study of equilibria in solutions is demonstrated for substances with strongly overlapping spectra, in particular, using the independent component analysis (MILCA and SIMPLISMA algorithms) and the alternating least squares algorithm (MCR-ALS). Using the chemometric approach allows one to resolve spectral curves, identify species present in the solution, and calculate the characteristics of equilibria. The proposed approach is illustrated on a series of examples (study of a tautomeric equilibrium and complexation reactions).

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Authors and Affiliations

  1. Chemistry Institute, Saratov State University, ul. Astrakhanskaya 83, Saratov, 410012, Russia

    Yu. B. Monakhova, I. V. Kuznetsova & S. P. Mushtakova

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  1. Yu. B. Monakhova
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  2. I. V. Kuznetsova
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  3. S. P. Mushtakova
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Original Russian Text © Yu.B. Monakhova, I.V. Kuznetsova, S.P. Mushtakova, 2011, published in Zhurnal Analiticheskoi Khimii, 2011, Vol. 66, No. 6, pp. 582–588.

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Monakhova, Y.B., Kuznetsova, I.V. & Mushtakova, S.P. Application of modern chemometric methods to the study of equilibria in solutions. J Anal Chem 66, 565–571 (2011). https://doi.org/10.1134/S1061934811060141

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  • DOI: https://doi.org/10.1134/S1061934811060141

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