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Statements

Subject Item
n2:RIV%2F00216275%3A25310%2F11%3A39883557%21RIV12-MZ0-25310___
rdf:type
n11:Vysledek skos:Concept
dcterms: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.
dcterms: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
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
skos:notation
RIV/00216275:25310/11:39883557!RIV12-MZ0-25310___
n11:predkladatel
n12:orjk%3A25310
n3:aktivita
n19:P n19:Z
n3:aktivity
P(NS9831), Z(MSM0021627502)
n3:cisloPeriodika
10
n3:dodaniDat
n6:2012
n3:domaciTvurceVysledku
n18:1940384 n18:6862519
n3:druhVysledku
n16:J
n3:duvernostUdaju
n21:S
n3:entitaPredkladatele
n7:predkladatel
n3:idSjednocenehoVysledku
235209
n3:idVysledku
RIV/00216275:25310/11:39883557
n3:jazykVysledku
n14:eng
n3:klicovaSlova
Ibandronate; Alendronate; HYPERQUAD; ESAB; dissociation constant; potentiometric titration
n3:klicoveSlovo
n8:potentiometric%20titration n8:dissociation%20constant n8:Ibandronate n8:Alendronate n8:HYPERQUAD n8:ESAB
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[9EA7CDD4A729]
n3:nazevZdroje
Journal of Chemical and Engineering Data
n3:obor
n20:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
4
n3:projekt
n17:NS9831
n3:rokUplatneniVysledku
n6:2011
n3:svazekPeriodika
56
n3:tvurceVysledku
Pekárek, Tomáš Meloun, Milan Netolická, Lucie Ferenčíková, Zuzana
n3:wos
000295700500019
n3:zamer
n10:MSM0021627502
s:issn
0021-9568
s:numberOfPages
7
n15:doi
10.1021/je200512e
n4:organizacniJednotka
25310