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- W2087629346 abstract "The keto−enol equilibria of benzoylacetone (BZA) as a model for 1,3-dicarbonyl compounds are studied in aqueous acid and cationic micellar solution. Evolving factor analysis (EFA), multivariate curve resolution−alternating least-squares (MCR-ALS), and rank annihilation factor analysis (RAFA) are used for complete resolving of measured spectrophotometric data. The acidity constants of the enolic, KaE, and ketonic, KaK, forms of BZA and also the tautomerization constant, Kt, and its related thermodynamic parameters have been determined by using EFA and MCR-ALS methods and spectral variation of BZA solutions in various pHs and temperatures. The concentration and spectral profiles of all species were calculated without any assumption about chemical models. The spectral variation of BZA solutions as a function of cationic micelle concentration sufficiently beyond its critical micelle concentration is analyzed according to the partition model for distribution between water and micellar pseudo-phase and RAFA. The outputs of using RAFA on measured rank deficient data are the spectrum of enolic form in the micellar pseudo-phase, free from contribution of the enolic form in the aqueous phase, the partition coefficient of enolic form, KdE, between the micelle and water phases, and the tautomerization constant in the micellar pseudo-phase, Ktm." @default.
- W2087629346 created "2016-06-24" @default.
- W2087629346 creator A5060540629 @default.
- W2087629346 creator A5075700698 @default.
- W2087629346 date "2007-01-24" @default.
- W2087629346 modified "2023-09-27" @default.
- W2087629346 title "Tautomerization Equilibria in Aqueous Micellar Solutions: A Spectrophotometric and Factor-Analytical Study" @default.
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- W2087629346 doi "https://doi.org/10.1021/la0627112" @default.
- W2087629346 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/17249702" @default.
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