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

Journal of Analytical & Bioanalytical Techniques
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  • Research Article   
  • J Anal Bioanal Tech 2016, Vol 7(2): 299
  • DOI: 10.4172/2155-9872.1000299

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, Email: [email protected]

Received Date: Jan 25, 2016 / Accepted Date: Feb 12, 2016 / Published Date: Feb 19, 2016


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.

Keywords: Mat-pKa; pKa determination; pKa of non-hydro-soluble chemical substances; Chromatography; Chiral chromatography; QSAR

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.

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Review summary

  1. Aster
    Posted on Aug 04 2016 at 2:28 pm
    This paper describes the determination of the pKa of a chemical substance that is insoluble in water based on solubility profile elaborated from the Yasuda-Shedlovsky experiment. Specifically, a chiral chromatographic method was developed to quantify the enantiomers in solution. By combining the chiral chromatographic method and Mat-pKa software calculation, pKa of the non-hydro-soluble compound can be determined.