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The thermodynamic dissociation constants of two drugs rasagiline base and rasagiline mesylate 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: Journal of Chemical and Engineering Data
Publisher name: American Chemical Society
Place: Washington
Page from-to: 2707-2713
Titles:
Language Name Abstract Keywords
cze Thermodynamická disociační konstanta rasagilinu nelineární regresí a faktorovou analýzou spektrofotometrických pH-dat Byly stanoveny disociační konstanty rasafilinu báze a rasagilinu mesylátu 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: pro rasagiline basi, pK<sup>T</sup><sub>a</sub>=7.12(1)při 25 °C and 7.01(1) apři 37°C; pro rasagiline mesylát, pK<sup>T</sup><sub>a</sub>=7.07(1) apři 25°C and 7.16(1) při 37 °C. Disociační konstanta; rasagiline; SPECFIT; SQUAD; INDICES;
eng The thermodynamic dissociation constants of two drugs rasagiline base and rasagiline mesylate by the nonlinear regression and factor analysis of multiwavelength spectrophotometric pH-titration data , The mixed dissociation constants of rasagiline-free base [N-propargyl-1-(R)aminoindan] and rasagiline mesylate [N-propargyl-1-(R)aminoindan] methansulfonate) at different ionic strengths I in the range of (0.01 and 0.4) mol . L-1 and at temperatures of (25 and 37) degrees C were determined with the use of two different multiwavelength and multivariate treatments of spectral data, SPECEIT32 and SQUAD(84), nonlinear regression analyses. Most indices always predict the correct number of components when the signal-to-error ratio (SER) is higher than 10: for rasagiline base, pK(a)(T) = 7.12(1) at 25 degrees C and 7.01(1) at 37 degrees C; for rasagiline mesylate, pK(a)(T) = 7.07(1) at 25 degrees C and 7.16(1) at 37 degrees C, where the value in parentheses is the standard deviation in the last significant digit. Equilibrium constants; spectroscopic data; parkinsons-disease; multicomponent spectra; stability-constants; B inhibitor; drugs; pk(a); computation; programs

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