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

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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-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. 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. (en)
Title	Thermodynamic dissociation constants of alendronate and ibandronate by regression analysis of potentiometric data Thermodynamic dissociation constants of alendronate and ibandronate by regression analysis of potentiometric data (en)
skos:prefLabel	Thermodynamic dissociation constants of alendronate and ibandronate by regression analysis of potentiometric data Thermodynamic dissociation constants of alendronate and ibandronate by regression analysis of potentiometric data (en)
skos:notation	RIV/00216275:25310/11:39883557!RIV12-MZ0-25310___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(NS9831), Z(MSM0021627502)
http://linked.open...iv/cisloPeriodika	10
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Ferenčíková, Zuzana Meloun, Milan
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Pardubice / Fakulta chemicko-technologická
http://linked.open...dnocenehoVysledku	235209
http://linked.open...ai/riv/idVysledku	RIV/00216275:25310/11:39883557
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Ibandronate; Alendronate; HYPERQUAD; ESAB; dissociation constant; potentiometric titration (en)
http://linked.open.../riv/klicoveSlovo	HYPERQUAD Alendronate ESAB Ibandronate dissociation constant potentiometric titration
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[9EA7CDD4A729]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical and Engineering Data
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Optimization of laboratory examinations in endocrinology using multivariate statistics
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	56
http://linked.open...iv/tvurceVysledku	Pekárek, Tomáš Ferenčíková, Zuzana Meloun, Milan Netolická, Lucie
http://linked.open...ain/vavai/riv/wos	000295700500019
http://linked.open...n/vavai/riv/zamer	Pokročilé analytické a separační metody a jejich aplikace v diagnostice a technologii živých a neživých materiálů
issn	0021-9568
number of pages	7 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/je200512e
http://localhost/t...ganizacniJednotka	25310

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