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Thermodynamic dissociation constants of alendronate and ibandronate by regression analysis of potentiometric data
Authors: Meloun Milan | Ferenčíková Zuzana | Netolická Lucie | Pekárek Tomáš
Year: 2011
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: 3848-3854
Titles:
Language Name Abstract Keywords
cze Termodynamické disociační konstanty alendronátu a Ibandronátu regresní analýzou potenciometrických dat Smíšené disociační konstanty dvou dusík obsahujících bi-fosforečnanových kyselin, alendronátu a ibandronátu, byly změřeny při různých iontových silách od 0.02 do 0.3 a teplotách 25C a 37C. Termodynamické disociační konstanty byly určeny nelineární regresí Debye-Huckelova vztahu. Špatně podmíněné skupinové parametry mají velký vliv na systematickou chybu odhadů pK. potenciometrická titrace;disociační konstanty;ESAB;HYPERQUAD;alendronát;ibandronát
eng Thermodynamic dissociation constants of alendronate and ibandronate by regression analysis of potentiometric data Mixed dissociation constant(s) of two nitrogen-containing bisphosphonate acids HJL, alendronate and ibandronate, at various ionic strengths I in the range of (0.02 to 0.30)I and (298.15 and 310.15) K have been determined. The estimate of ill-conditioned group parameters has a great influence on a systematic error in the estimated pKa, and therefore it makes the computational strategy important. The thermodynamic dissociation constant pKa T was estimated by a nonlinear regression of {pKa, I} data and a Debye-Huckel equation. A goodness-of-fit test based on regression diagnostics is the measure of a reliability of parameters and proves that reliable estimates for alendronate pKa2 T = 2.60(1) and 2.76(1), pKa3 T = 6.73(1) and 6.77(1), pKa4 T = 11.51(2) and 11.29(1), and pKa5 T = 12.44(3) and 11.82(3) at (298.15 and 310.15) K, respectively, and for ibandronate pKa2 T = 2.33(1) and 2.50(1), pKa3 T = 6.31(1) and 6.37(1), and pKa4 T = 10.74(1) and 10.65(1) at (298.15 and 310.15) K, respectively, were found. potentiometric titration;dissociation constant;ESAB;HYPERQUAD;Alendronate;Ibandronate

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