Comparison of solute descriptors for predicting retention of ionic compounds (phenols) in reversed-phase liquid chromatography using the solvation parameter model

Rosés, Martı́; Bolliet, David; Poole, Colin F.

doi:10.1016/s0021-9673(98)00746-8

Cited by 78 publications

(25 citation statements)

References 26 publications

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“…As can be seen in Table VI, the results in both cases are similar, with the difference that the equation denoted by "All pH" presents slightly better statistics than the "Mean" equation and can predict retention of any solute at any SpH value. Note that, as predicted by Ros6s et al [13], the d coefficient is close to 1.00 for all the correlations.…”

Section: Application Of the Solvation Parameter Model To Neutral And supporting

confidence: 84%

“…where the descriptor log [1-D(1-J)] accounts for the influence of ionization of weak acids or bases on their retention, being D the degree of ionization of the solute and f a retention-derived parameter defined as the ratio of the retention factors of the ionized species (kl) and the the neutral species (k0) of the solute [13]:…”

Section: O G K -C + E E + S S + a A + B B + V Vmentioning

confidence: 99%

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Retention of ionizable compounds on HPLC. Modelling retention for neutral and ionizable compounds by linear solvation energy relationships

et al. 2002

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SummaryA global LSER model that relates HPLC retention to mobile phase composition and pH is tested for a varied group of solutes, both neutral and ionizable, in a polymeric column and methanol-water mobile phases. It is compared to the local LSER model developed only for a given mobile phase, i.e., a fixed organic modifier content, and to the global LSER model set only for neutral solutes.The global LSER model for neutral and ionizable solutes requires a few su pplementary parameters over the other models tested, but it accounts for retention under any experimental conditions for a given column and methanol-water mobile phases, describing properly the interactions established in the HPLC system (hyclrophobicity, hydrogen-bond acidity and basicity, clipolarity/polarizability...).

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Section: Application Of the Solvation Parameter Model To Neutral And supporting

confidence: 84%

Section: O G K -C + E E + S S + a A + B B + V Vmentioning

confidence: 99%

Retention of ionizable compounds on HPLC. Modelling retention for neutral and ionizable compounds by linear solvation energy relationships

et al. 2002

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“…Ros6s et al [14] found that the ratio (f) between the retention factors of the ionic (kl) and neutral (k0) forms of the solute:…”

Section: Theorymentioning

confidence: 99%

Retention of ionizable compounds on HPLC. Modelling retention in reversed-phase liquid chromatography as a function of pH and solvent composition with methanol-water mobile phases

et al. 2002

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SummaryThe retention of ionizable compounds in reversed-phase liquid chromatography with methanol-water mobile phases has been related to the pH, composition and polarity of the mobile phase. The ionization of the compound is calculated from the pH measured in the mobile phase (WpH) and the p~ of the compound in the same mobile phase (SpKa) which can be estimated from the aqueous p~ (WpKa) by means of general equations previously established. The retention factors are calculated from the degree of ionization and the retention factors of the neutral and ionic forms of the compounds. Two different linear models have been tested to relate the retention factor of the acid-base forms of the studied compounds to methanol-water composition or polarity

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“…We have to remember that the above mentioned solvation equations do not incorporate the effect of ionisation of the molecules and only the data of the uncharged molecules should be used for generating these equations for system comparisons. Recent efforts have been published [76] that estimate the effect of the ionisation on the partitioning of the molecule.…”

Section: Analysis By the Solvation Equationmentioning

confidence: 99%

Application of High Performance Liquid Chromatography for the Measurements of Lipophilicity and Biomimetic Binding Properties in Drug Discovery

Valkó¹

2012

Physico-Chemical Methods in Drug Discovery and Development

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Comparison of solute descriptors for predicting retention of ionic compounds (phenols) in reversed-phase liquid chromatography using the solvation parameter model

Cited by 78 publications

References 26 publications

Retention of ionizable compounds on HPLC. Modelling retention for neutral and ionizable compounds by linear solvation energy relationships

Retention of ionizable compounds on HPLC. Modelling retention for neutral and ionizable compounds by linear solvation energy relationships

Retention of ionizable compounds on HPLC. Modelling retention in reversed-phase liquid chromatography as a function of pH and solvent composition with methanol-water mobile phases

Application of High Performance Liquid Chromatography for the Measurements of Lipophilicity and Biomimetic Binding Properties in Drug Discovery

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