Thermodynamic dissociation constants of alendronate and ibandronate by regression analysis of potentiometric data

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F11%3A39883557" target="_blank" >RIV/00216275:25310/11:39883557 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/je200512e" target="_blank" >http://dx.doi.org/10.1021/je200512e</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/je200512e" target="_blank" >10.1021/je200512e</a>

Result language
angličtina
Original language name
Thermodynamic dissociation constants of alendronate and ibandronate by regression analysis of potentiometric data
Original language description
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-conditionedgroup 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, respective
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
<a href="/en/project/NS9831" target="_blank" >NS9831: Optimization of laboratory examinations in endocrinology using multivariate statistics</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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