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DC Field | Value | Language |
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dc.contributor.author | Fernández-Pumarega, Alejandro. | - |
dc.contributor.author | Martín Sanz, Belén | - |
dc.contributor.author | Amézqueta, Susana | - |
dc.contributor.author | Fuguet i Jordà, Elisabet | - |
dc.contributor.author | Rosés Pascual, Martí | - |
dc.date.accessioned | 2020-05-25T09:44:05Z | - |
dc.date.available | 2020-05-25T09:44:05Z | - |
dc.date.issued | 2019-11-11 | - |
dc.identifier.issn | 1848-7718 | - |
dc.identifier.uri | http://hdl.handle.net/2445/162213 | - |
dc.description.abstract | The octanol-water partition coefficient (Po/w), or the octanol-water distribution coefficient (Do/w) for ionized compounds, is a key parameter in the drug development process. In a previous work, this parameter was estimated through the retention factor measurements in a sodium dodecyl sulfate (SDS) - microemulsion electrokinetic chromatography (MEEKC) system for acidic compounds. Nonetheless, when ionized basic compounds were analyzed, undesirable ion pairs were formed with the anionic surfactant and avoided a good estimation of log Do/w. For this reason, an alternative MEEKC system based on a cationic surfactant has been evaluated to estimate Po/w or Do/w of neutral compounds and ionized bases. To this end, it has been characterized through the solvation parameter model (SPM) and compared to the octanol-water partition system. Results pointed out that both systems show a similar partition behavior. Hence, the log Po/w of a set of neutral compounds has been successfully correlated against the logarithm of the retention factor (log k) determined in this MEEKC system. Then, the log Do/w of 6 model bases have been estimated at different pH values and they have been compared to data from the literature, determined by the reference shake-flask and potentiometric methods. Good agreement has been observed between the literature and the estimated values when the base is neutral or partially ionized (up to 99 % of ionization). | - |
dc.format.extent | 15 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | - |
dc.publisher | IAPC Publishing | - |
dc.relation.isformatof | Reproducció del document publicat a: https://doi.org/10.5599/admet.760 | - |
dc.relation.ispartof | ADMET & DMPK, 2019, vol. 179, p. 112981-112981 | - |
dc.relation.uri | https://doi.org/10.5599/admet.760 | - |
dc.rights | cc-by (c) Fernández-Pumarega, Alejandro. et al., 2019 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es | - |
dc.source | Articles publicats en revistes (Enginyeria Química i Química Analítica) | - |
dc.subject.classification | Cromatografia | - |
dc.subject.classification | Micel·les | - |
dc.subject.other | Chromatography | - |
dc.subject.other | Micelles | - |
dc.title | Estimation of the octanol-water distribution coefficient of basic compounds by a cationic microemulsion electrokinetic chromatography system | - |
dc.type | info:eu-repo/semantics/article | - |
dc.type | info:eu-repo/semantics/publishedVersion | - |
dc.identifier.idgrec | 700996 | - |
dc.date.updated | 2020-05-25T09:44:05Z | - |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | - |
Appears in Collections: | Articles publicats en revistes (Enginyeria Química i Química Analítica) |
Files in This Item:
File | Description | Size | Format | |
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700996.pdf | 1.05 MB | Adobe PDF | View/Open |
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