Martí Rosés
University of Barcelona
Analytical chemistrySolvationOrganic chemistryInorganic chemistryHigh-performance liquid chromatographyAqueous solutionChemistryPartition coefficientLipophilicityIonic bondingAcid dissociation constantAcetonitrileMethanolSolventCapillary electrophoresisChromatographyPhase (matter)Reversed-phase chromatographyMicellar electrokinetic chromatographyDissociation constantPolarity (physics)
203Publications
58H-index
6,617Citations
Publications 202
Newest
#1Michael H. Abraham (UCL: University College London)H-Index: 103
#2William E. Acree (UNT: University of North Texas)H-Index: 74
Last. Martí Rosés (University of Barcelona)H-Index: 58
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We use literature data on solubilities of 46 compounds in the water–isopropanol (IPA) system to obtain the corresponding partition coefficients, P, for transfer from water to water–IPA mixtures. We have then used our previously constructed linear free energy equation to obtain equations that correlate log10 P at water–IPA intervals across the entire water–IPA system. These equations can then be used to predict partition coefficients and solubilities of further compounds in the water–IPA systems ...
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#1Sara Soriano-Meseguer (University of Barcelona)H-Index: 3
#2Elisabet Fuguet (University of Barcelona)H-Index: 23
Last. Martí Rosés (University of Barcelona)H-Index: 58
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The LFER model of Abraham is applied to the retention of the neutral and ionic forms of 94 solutes in a C18 column and 40% v/v acetonitrile/water mobile phase. The results show that polarizability and cavity formation interactions increase retention, whereas dipole and hydrogen bonding interactions favours partition to the mobile phase and thus, they decrease retention. The coefficients of the ionic descriptors measure the effect of the electrostatic interactions and their contribution to partit...
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#1Lidia RedónH-Index: 1
#2Xavier SubiratsH-Index: 11
Last. Martí RosésH-Index: 58
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Abstract A methodology for the estimation of the different phase volumes in HILIC is presented. For a ZIC-HILIC column the mobile phase volume (hold-up volume) is determined in several acetonitrile- and methanol-water compositions by a Linear Free Energy Relationships (LFER) homologous series approach involving n-alkyl-benzenes, -phenones, and -ketones. We demonstrate that the column works as a HILIC column when the mobile phase contains high and medium proportions of methanol or acetonitrile. H...
2 CitationsSource
#1Leo Lebanov (University of Barcelona)H-Index: 1
#2Elisabet Fuguet (University of Barcelona)H-Index: 23
Last. Martí Rosés (University of Barcelona)H-Index: 58
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This work provides the pKa at the biorelevant temperature of 37 oC for a set of compounds proposed as internal standards for the internal standard capillary electrophoresis (IS-CE) method. This is a high throughput method that allows the determination of the acidity constants of compounds in a short time, avoiding the exact measurement of the pH of the buffers used. pH electrode calibration at 37 oC can be avoided too. In order to anchor the pKa values obtained through the IS-CE method in the pH...
2 CitationsSource
#1Alejandro Fernández-Pumarega (University of Barcelona)H-Index: 4
#2Laura Olmo (University of Barcelona)
Last. Martí Rosés (University of Barcelona)H-Index: 58
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Abstract Retention of ionizable bases in microemulsion electrokinetic chromatography (MEEKC) has been studied using two different systems with anionic and cationic microemulsions. Microemulsion pseudostationary phase is composed of heptane (oil), 1-butanol (cosurfactant) and sodium dodecyl sulfate (SDS, anionic system) or tetradecyltrimethylammonium bromide (TTAB, cationic system) as surfactant. In contrast with micellar electrokinetic chromatography (MEKC) where the retention of neutral compoun...
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Last. Martí RosésH-Index: 58
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The octanol-water partition coefficient (P o/w ), or the octanol-water distribution coefficient (D o/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 surf...
1 CitationsSource
#2Elisabet FuguetH-Index: 23
Last. Martí RosésH-Index: 58
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In recent years, the parallel artificial membrane permeability assay (PAMPA) has been extended for prediction of skin permeation by developing an artificial membrane which mimics the stratum corneum structure, skin-PAMPA. In the present work, the different parameters affecting skin-PAMPA permeability, such as incubation time and stirring, have been studied to establish ideal assay conditions to generate quality data for a screening of active pharmaceutical ingredients (API) in early stage drug d...
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#1Alejandro Fernández-Pumarega (University of Barcelona)H-Index: 4
#2Susana Amézqueta (University of Barcelona)H-Index: 7
Last. Martí Rosés (University of Barcelona)H-Index: 58
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Abstract The feasibility of extending the determination of the lipophilicity of partially ionized acids (log Do/w) by microemulsion electrokinetic chromatography (MEEKC) is tested. Theoretical considerations predict that a linear log Do/w vs. log k correlation can be obtained only when the neutral and ionic forms of an acid follow the same correlation equation and the slope of the correlation is unity. In practice, since the lipophilicity of the neutral acid is much higher than that of the ionic...
2 CitationsSource
#1Susana Amézqueta (University of Barcelona)H-Index: 7
#2Alejandro Fernández-Pumarega (University of Barcelona)H-Index: 4
Last. Martí Rosés (University of Barcelona)H-Index: 58
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Abstract Lecithins are phospholipidic mixtures that can be part of microemulsions and liposomes. In this work, ready-to-use preparations of lecithin have been tested as pseudostationary and mobile phases in EKC and LC, respectively. The selectivity of two EKC systems, one based on lecithin microemulsions (LMEEKC) and another on liposomes (LLEKC), and of a LC system based on lecithin microemulsions (MELC) has been evaluated through the solvation parameter model. In all cases, solute volume and hy...
2 CitationsSource
#1Susana Amézqueta (University of Barcelona)H-Index: 7
#2Xavier Subirats (University of Barcelona)H-Index: 11
Last. Martí Rosés (University of Barcelona)H-Index: 58
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Abstract Capillary electrophoresis comprises of a series of related techniques that employ narrow-bore capillaries to perform high-efficiency separations. These separations are achieved by filling the capillary with an electrolyte solution, usually pH buffered, and applying a high voltage between the two ends of the capillary, which may generate electroosmotic and electrophoretic flows of buffer solution and ionic species, respectively, within the capillary. The simplest technique is capillary z...
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