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The Thermodynamic Dissociation Constants of Azathioprine by the Nonlinear Regression and Factor Analysis of Multiwavelength Spectrophotometric pH-Titration Data
Authors: Meloun Milan | Ferenčíková Zuzana | Vrána Aleš
Year: 2010
Type of publication: článek v odborném periodiku
Name of source: American Journal of Analytical Chemistry
Publisher name: Scientific Research Publishing
Place: P. O. BOX 54821 Irvine CA 92619-4821, USA
Page from-to: 14-24
Titles:
Language Name Abstract Keywords
cze Thermodynamická disociační konstanta azathioprinu nelineární regresí a faktorovou analýzou spektrofotometrických pH-dat Byly stanoveny disociační konstanty azathioprinu při několika iontových silách a teplotách 25ºC a 37ºC nelineární regresí a faktorovou analýzou spektrofotometrických pH-dat programy SPECFIT a SQUAD(84). Ke stanovení počtu částic v reakční směsi byl užit algoritmus INDICES naprogramovaný v programu S- PLUS. Nelineární regresí závislosti disociační konstanty na odmocnině z iontové síly byly stanoveny termodynamické disociační konstanty: pK<sub>T</sub><sup>a</sup> = 8.07(1) při 25℃ a 7.84(1) při 37℃. Spectrophotometrická titrace; Disociační konstanta; Azathioprin; SPECFIT; SQUAD; INDICES; PALLAS;
eng The Thermodynamic Dissociation Constants of Azathioprine by the Nonlinear Regression and Factor Analysis of Multiwavelength Spectrophotometric pH-Titration Data The mixed dissociation constant of azathioprine at various ionic strengths I , and at temperatures of 25℃ and 37℃, was determined with the use of two different multiwavelength and multivariate treatments of spectral data, SPECFIT32 and SQUAD(84) nonlinear regression analyses and INDICES factor analysis according to a general rule. First, the number of components is determined, and then the spectral responses and concentrations of the components are calculated. The factor analysis in the INDICES programme predicts the correct number of two light-absorbing species L<sup>-</sup> and HL. The thermodynamic dissociation constant pK<sub>T</sub><sup>a</sup> of azathioprine was estimated by nonlinear regression of {pK<sup>a</sup>, I} data, pK<sub>T</sub><sup>a</sup> = 8.07(1) at 25℃ and 7.84(1) at 37℃, where the figure in brackets is the standard deviation in last significant digits. Spectrophotometric Titration; Dissociation Constant; Azathioprine; SPECFIT; SQUAD; INDICES; PALLAS;