Oligomers-Model Building in Protonation Equilibria of Sitagliptin

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F13%3A39896226" target="_blank" >RIV/00216275:25310/13:39896226 - isvavai.cz</a>
Result on the web
<a href="http://link.springer.com/article/10.2478%2Fs11532-013-0304-6" target="_blank" >http://link.springer.com/article/10.2478%2Fs11532-013-0304-6</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.2478/s11532-013-0304-6" target="_blank" >10.2478/s11532-013-0304-6</a>

Result language
angličtina
Original language name
Oligomers-Model Building in Protonation Equilibria of Sitagliptin
Original language 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 lowconcentration 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 influenceon 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.
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
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Continuities
S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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