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Statements

Subject Item
n2:RIV%2F00216275%3A25310%2F13%3A39896417%21RIV14-MSM-25310___
rdf:type
n11:Vysledek skos:Concept
rdfs:seeAlso
http://link.springer.com/article/10.2478%2Fs11532-013-0244-1
dcterms:description
Protonation constants of protonated monomers and dimers of the vildagliptin are determined potentiometrically. For the low concentration c (L) = 3.3 mmol dm(-3) the monomers L and LH dominate, while for a higher concentration c (L) = 6.3 mmol dm(-3) the dimers L2H2, L2H3, L2H4 and L2H are mainly present. The algorithm used has little influence on the precision of the formation constants in comparison with the reproducibility of the titration. The mixed protonation constants of vildagliptin dimers L (q) H (r) at various temperatures are determined using FBSTAC4 and HYPERQUAD regression analysis of the potentiometric titration data. The accuracy of the protonation constants log(10) beta (qr) depends on the accuracy of the group parameters. As two group parameters L (0), H (T) are ill conditioned in a model, their determination is therefore uncertain; both can significantly cause a systematic error in the estimated common parameters log(10) beta (qr) . Using various regression diagnostics the goodness-of-fit proves the reliability of all parameter estimates. A rough estimation of thermodynamic enthalpies Delta H (0) (kJ mol(-1)) and entropies Delta S (0) (J K-1 mol(-1)) is determined from the temperature variation of protonation constants. The enthalpy shows the protonation process is exothermic, and the entropy indicates that it is spontaneous. Protonation constants of protonated monomers and dimers of the vildagliptin are determined potentiometrically. For the low concentration c (L) = 3.3 mmol dm(-3) the monomers L and LH dominate, while for a higher concentration c (L) = 6.3 mmol dm(-3) the dimers L2H2, L2H3, L2H4 and L2H are mainly present. The algorithm used has little influence on the precision of the formation constants in comparison with the reproducibility of the titration. The mixed protonation constants of vildagliptin dimers L (q) H (r) at various temperatures are determined using FBSTAC4 and HYPERQUAD regression analysis of the potentiometric titration data. The accuracy of the protonation constants log(10) beta (qr) depends on the accuracy of the group parameters. As two group parameters L (0), H (T) are ill conditioned in a model, their determination is therefore uncertain; both can significantly cause a systematic error in the estimated common parameters log(10) beta (qr) . Using various regression diagnostics the goodness-of-fit proves the reliability of all parameter estimates. A rough estimation of thermodynamic enthalpies Delta H (0) (kJ mol(-1)) and entropies Delta S (0) (J K-1 mol(-1)) is determined from the temperature variation of protonation constants. The enthalpy shows the protonation process is exothermic, and the entropy indicates that it is spontaneous.
dcterms:title
Reliability of Protonation Constants of Vildagliptin Dimers by the Regression Analysis of pH-Titration Data Reliability of Protonation Constants of Vildagliptin Dimers by the Regression Analysis of pH-Titration Data
skos:prefLabel
Reliability of Protonation Constants of Vildagliptin Dimers by the Regression Analysis of pH-Titration Data Reliability of Protonation Constants of Vildagliptin Dimers by the Regression Analysis of pH-Titration Data
skos:notation
RIV/00216275:25310/13:39896417!RIV14-MSM-25310___
n11:predkladatel
n19:orjk%3A25310
n4:aktivita
n15:I n15:S
n4:aktivity
I, S
n4:cisloPeriodika
7
n4:dodaniDat
n10:2014
n4:domaciTvurceVysledku
n5:6862519 n5:2950235 n5:1940384
n4:druhVysledku
n14:J
n4:duvernostUdaju
n13:S
n4:entitaPredkladatele
n20:predkladatel
n4:idSjednocenehoVysledku
102272
n4:idVysledku
RIV/00216275:25310/13:39896417
n4:jazykVysledku
n17:eng
n4:klicovaSlova
protonation constant; vildagliptin; dimer; pH-titration; regression analysis
n4:klicoveSlovo
n9:vildagliptin n9:regression%20analysis n9:dimer n9:protonation%20constant n9:pH-titration
n4:kodStatuVydavatele
PL - Polská republika
n4:kontrolniKodProRIV
[82DFCBD28449]
n4:nazevZdroje
Central European Journal of Chemistry
n4:obor
n12:CF
n4:pocetDomacichTvurcuVysledku
3
n4:pocetTvurcuVysledku
4
n4:rokUplatneniVysledku
n10:2013
n4:svazekPeriodika
11
n4:tvurceVysledku
Ferenčíková, Zuzana Niesnerová, Irena Pekárek, Tomáš Meloun, Milan
n4:wos
000318180300008
s:issn
1895-1066
s:numberOfPages
11
n8:doi
10.2478/s11532-013-0244-1
n16:organizacniJednotka
25310