alexa pKa Determination of a Non-hydro-soluble Chemical Substance, Issued from Chiral Chromatographic Solubility Profiles and Mat-pKa Calculations
ISSN: 2155-9872

Journal of Analytical & Bioanalytical Techniques
Open Access

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Research Article

pKa Determination of a Non-hydro-soluble Chemical Substance, Issued from Chiral Chromatographic Solubility Profiles and Mat-pKa Calculations

Lionel Vidaud1*, Antoine Pradines2, Jérôme Marini2, Elodie Lajous2 and Patrick Clavières3

1Quality Science and Innovation, EVOTEC Toulouse, France

2Preparative Chromatography Group, EVOTEC Toulouse, France

3ADME and Developability Assessment Laboratory, EVOTEC Toulouse, France

*Corresponding Author:
Lionel Vidaud
Quality Science and Innovation
EVOTEC Toulouse, France
Tel: +33534632491
Fax: +33534632943
E-mail: [email protected]

Received Date: January 25, 2016 Accepted Date: February 12, 2016 Published Date: February 19, 2016

Citation: Vidaud L, Pradines A, Marini J, Lajous E, Clavières P (2016) pKa Determination of a Non-hydro-soluble Chemical Substance, Issued from Chiral Chromatographic Solubility Profiles and Mat-pKa Calculations. J Anal Bioanal Tech 7:299. doi:10.4172/2155-9872.1000299

Copyright: © 2016 Vidaud L, et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Abstract

After development and implementation of Mat-pKa software, since 3 years, pKa(s) determinations for approximately 70 compounds were successfully conducted. But a remaining objective was to enlarge the capabilities of this software to resolve cases for non-soluble compounds in aqueous phases. Until now, pKa(s) calculations were based on solubility profiles obtained in aqueous buffered solutions. A new application of this software was successful for solubility profiles obtained in pure water, in which, various concentrations of the substance led to different pH of solutions. A new approach, based on solubility profile elaborated from the Yasuda-Shedlovsky experiment, is presented in this paper, for a non-hydro-soluble chemical substance. More challenging in this case, the pKa value was determined for a chiral compound and, outside of the range 0 to 14. In this third new application, Mat-pKa software confirmed its ability to define pKa values in extended ranges and its independence to diverse techniques (generally the chromatography) delivering solubility profiles, even in very specific and delicate conditions.

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