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Statements

Subject Item
n2:RIV%2F00216275%3A25310%2F13%3A39896226%21RIV14-MSM-25310___
rdf:type
skos:Concept n5:Vysledek
rdfs:seeAlso
http://link.springer.com/article/10.2478%2Fs11532-013-0304-6
dcterms:description
Mixed protonation constants of sitagliptin phosphate at various ionic strengths I (mol kg(-1)) in range 0.01 and 0.50 and at 298.15 K are determined using FBSTAC4 and HYPERQUAD nonlinear regression analyses of the potentiometric titration curve. At a low concentration c(L) = 1.1 mmol kg(-1) the monomers L, LH, LH2, LH3 and LH4 dominate, while for a concentration range from c(L) = 13.7 to 24.7 mmol kg(-1) dimers L2H2, L2H3, L2H4 and L2H are mainly present. The regression programme has almost no influence on the precision of the protonation constants. The accuracy of the protonation constants log beta(qr) depends on the accuracy of the group parameters. As two group parameters c(L,0), c(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). Fitness tests using regression diagnostics have proven the reliability of the parameter estimates. Mixed protonation constants of sitagliptin phosphate at various ionic strengths I (mol kg(-1)) in range 0.01 and 0.50 and at 298.15 K are determined using FBSTAC4 and HYPERQUAD nonlinear regression analyses of the potentiometric titration curve. At a low concentration c(L) = 1.1 mmol kg(-1) the monomers L, LH, LH2, LH3 and LH4 dominate, while for a concentration range from c(L) = 13.7 to 24.7 mmol kg(-1) dimers L2H2, L2H3, L2H4 and L2H are mainly present. The regression programme has almost no influence on the precision of the protonation constants. The accuracy of the protonation constants log beta(qr) depends on the accuracy of the group parameters. As two group parameters c(L,0), c(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). Fitness tests using regression diagnostics have proven the reliability of the parameter estimates.
dcterms:title
Oligomers-Model Building in Protonation Equilibria of Sitagliptin Oligomers-Model Building in Protonation Equilibria of Sitagliptin
skos:prefLabel
Oligomers-Model Building in Protonation Equilibria of Sitagliptin Oligomers-Model Building in Protonation Equilibria of Sitagliptin
skos:notation
RIV/00216275:25310/13:39896226!RIV14-MSM-25310___
n5:predkladatel
n6:orjk%3A25310
n3:aktivita
n18:S n18:I
n3:aktivity
I, S
n3:cisloPeriodika
11
n3:dodaniDat
n8:2014
n3:domaciTvurceVysledku
n4:1940384 n4:2950235 n4:6862519
n3:druhVysledku
n17:J
n3:duvernostUdaju
n9:S
n3:entitaPredkladatele
n16:predkladatel
n3:idSjednocenehoVysledku
93596
n3:idVysledku
RIV/00216275:25310/13:39896226
n3:jazykVysledku
n15:eng
n3:klicovaSlova
protonation constant; sitagliptin phosphate; dimer; curve fitting; pH-titration; regression analysis
n3:klicoveSlovo
n7:protonation%20constant n7:pH-titration n7:regression%20analysis n7:dimer n7:sitagliptin%20phosphate n7:curve%20fitting
n3:kodStatuVydavatele
PL - Polská republika
n3:kontrolniKodProRIV
[9BDC22642C7F]
n3:nazevZdroje
Central European Journal of Chemistry
n3:obor
n10:CF
n3:pocetDomacichTvurcuVysledku
3
n3:pocetTvurcuVysledku
4
n3:rokUplatneniVysledku
n8:2013
n3:svazekPeriodika
11
n3:tvurceVysledku
Niesnerová, Irena Meloun, Milan Ferenčíková, Zuzana Pekárek, Tomáš
n3:wos
000324816000010
s:issn
1895-1066
s:numberOfPages
9
n19:doi
10.2478/s11532-013-0304-6
n20:organizacniJednotka
25310