scholarly journals Lipophilicity determination of acidic compounds: MEEKC as a reliable high-throughput methodology

ADMET & DMPK ◽  
2018 ◽  
Author(s):  
Xavier Subirats ◽  
Lidia Redón ◽  
Martí Rosés

In the present study a pressure-assisted MEEKC method with reversed-polarity using a conventional CE instrument with UV detection and uncoated fused silica capillaries is validated as a high-throughput methodology for the lipophilicity determination of the neutral species of acidic compounds (pK<sub>a</sub> &gt; 3.5). After the calibration of the system with four standard compounds of known log P<sub>o/w</sub>, mass distribution ratios (log k<sub>MEEKC</sub>) of new molecules can be directly converted into log P<sub>o/w</sub> values by means of a simple linear equation (log P<sub>o/w</sub>=a·log k<sub>MEEKC</sub>+b). The method was internally and externally validated for a log P<sub>o/w</sub> range between -1.54 and 4.75, with higher accuracies than conventional liquid chromatographic methods.

2006 ◽  
Vol 29 (1) ◽  
pp. 14-24 ◽  
Author(s):  
Julien Courtois ◽  
Michal Szumski ◽  
Emil Byström ◽  
Agnieszka Iwasiewicz ◽  
Andrei Shchukarev ◽  
...  

2006 ◽  
Vol 27 (3) ◽  
pp. 672-676 ◽  
Author(s):  
Christopher J. Evenhuis ◽  
Rosanne M. Guijt ◽  
Miroslav Macka ◽  
Philip J. Marriott ◽  
Paul R. Haddad

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