Reliability of Protonation Constants of Vildagliptin Dimers by the Regression Analysis of pH-Titration Data

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216275%3A25310%2F13%3A39896417" target="_blank" >RIV/00216275:25310/13:39896417 - isvavai.cz</a>

Výsledek na webu

<a href="http://link.springer.com/article/10.2478%2Fs11532-013-0244-1" target="_blank" >http://link.springer.com/article/10.2478%2Fs11532-013-0244-1</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.2478/s11532-013-0244-1" target="_blank" >10.2478/s11532-013-0244-1</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Reliability of Protonation Constants of Vildagliptin Dimers by the Regression Analysis of pH-Titration Data

Popis výsledku v původním jazyce

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) thedimers 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

Název v anglickém jazyce

Reliability of Protonation Constants of Vildagliptin Dimers by the Regression Analysis of pH-Titration Data

Popis výsledku anglicky

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) thedimers 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

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

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Návaznosti

S - Specificky vyzkum na vysokych skolach<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2013

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Central European Journal of Chemistry

ISSN

1895-1066

e-ISSN

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Svazek periodika

11

Číslo periodika v rámci svazku

7

Stát vydavatele periodika

PL - Polská republika

Počet stran výsledku

11

Strana od-do

1101-1111

Kód UT WoS článku

000318180300008

EID výsledku v databázi Scopus

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