An analytical model for enantioseparation process in capillary electrophoresis

Ranzuglia, G. A.; Manzi, Sergio Javier; Gómez, María R.; Belardinelli, R. E.; Pereyra, V.

doi:10.1016/j.physa.2017.06.013

Cited by 4 publications

(5 citation statements)

References 34 publications

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“…Equation (25) gives the exact expression for the effective diffusion coefficient as a function of the parameters involved in the process. It is worth noting that the phase space of the parameters allows for different combinations, resulting in a variety of effective mobility and effective diffusion coefficient behaviors.…”

Section: Rate Equations and Mathematical Formulation Of The Modelmentioning

confidence: 99%

“…The effective mobility is therefore [2–26]

\begin{equation}{\mu _{eff}} = \frac{{\left[ {{k^ - }\left( {{{\Gamma}}_R^f - {{\Gamma}}_R^b} \right) + \left[ C \right]{k^ + }\left( {{{\Gamma}}_{CR}^f - {{\Gamma}}_{CR}^b} \right)} \right]{\;}}}{{\left( {{k^ - } + \left[ C \right]{k^ + }} \right)}}.\end{equation}

…”

Section: Rate Equations and Mathematical Formulation Of The Modelmentioning

confidence: 99%

“…Using Equation () and identifying the term in t of

\langle {{n^2}} \rangle

D/2

[2–26], the effective diffusion coefficient is easily obtained:

\begin{eqnarray} {D_{eff}} &=& \frac{{\left[ {{k^ - }\left( {{{\Gamma}}_R^f + {{\Gamma}}_R^b} \right) + \left[ C \right]{k^ + }\left( {{{\Gamma}}_{CR}^f + {{\Gamma}}_{CR}^b} \right)} \right]}}{{2\left( {{k^ - } + \left[ C \right]{k^ + }} \right)}} \nonumber\\ &&+ \frac{{\left[ C \right]{\;}{k^ - }{k^ + }}}{{{{\left( {{k^ - } + \left[ C \right]{\;}{k^ + }} \right)}^3}}}{\left( {\left( {{{\Gamma}}_R^f - {{\Gamma}}_R^b} \right) - \left( {{{\Gamma}}_{CR}^f - {{\Gamma}}_{CR}^b} \right)} \right)^2}.\nonumber\\\end{eqnarray}

Equation () gives the exact expression for the effective diffusion coefficient as a function of the parameters involved in the process. It is worth noting that the phase space of the parameters allows for different combinations, resulting ...…”

Section: Rate Equations and Mathematical Formulation Of The Modelmentioning

confidence: 99%

“…Indeed, in Refs. [24,25], numerical solutions of stochastic differential equations and kMC simulations were implemented to obtain the signal motion in the capillary. The model reproduces the experimental data quite well, but an approximate expression for the effective mobility and the effective diffusion coefficient cannot be obtained.…”

Section: Introductionmentioning

confidence: 99%

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Relevance of the calculation of the diffusion coefficient in a capillary electrophoresis experiment

Manzi,

Ranzuglia,

Centres

et al. 2023

Electrophoresis

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This paper analyzes the role of the diffusion coefficient in the movement of analytes that can reversibly react with a selector given a product in the presence of drift. The problem mimics the movement of enantiomers in a capillary electrophoresis experiment. As is well known, the signal in the capillary must be sharp enough to make a good determination of the effective mobility of the analytes being analyzed. The essence of the technique is based on fast interconversion rates. Therefore, the effective diffusion coefficient must be negligible during the experiment. In the present work, an exact expression for both the apparent mobility and the diffusion coefficient is obtained. This is done by writing the rate equations governing the process and solving them using the generating function technique. The effective mobility coincides with the Wren and Rowe equation, whereas the diffusion coefficient allows us to determine the values of the parameters to be taken into account so that this quantity is minimal or close to zero. On the other hand, the numerical solution of the kinetic equations and Monte Carlo simulations allow us to follow the signal in the capillary and to determine its space–time evolution.

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Section: Rate Equations and Mathematical Formulation Of The Modelmentioning

confidence: 99%

“…The effective mobility is therefore [2–26]

\begin{equation}{\mu _{eff}} = \frac{{\left[ {{k^ - }\left( {{{\Gamma}}_R^f - {{\Gamma}}_R^b} \right) + \left[ C \right]{k^ + }\left( {{{\Gamma}}_{CR}^f - {{\Gamma}}_{CR}^b} \right)} \right]{\;}}}{{\left( {{k^ - } + \left[ C \right]{k^ + }} \right)}}.\end{equation}

…”

Section: Rate Equations and Mathematical Formulation Of The Modelmentioning

confidence: 99%

“…Using Equation () and identifying the term in t of

\langle {{n^2}} \rangle

D/2

[2–26], the effective diffusion coefficient is easily obtained:

\begin{eqnarray} {D_{eff}} &=& \frac{{\left[ {{k^ - }\left( {{{\Gamma}}_R^f + {{\Gamma}}_R^b} \right) + \left[ C \right]{k^ + }\left( {{{\Gamma}}_{CR}^f + {{\Gamma}}_{CR}^b} \right)} \right]}}{{2\left( {{k^ - } + \left[ C \right]{k^ + }} \right)}} \nonumber\\ &&+ \frac{{\left[ C \right]{\;}{k^ - }{k^ + }}}{{{{\left( {{k^ - } + \left[ C \right]{\;}{k^ + }} \right)}^3}}}{\left( {\left( {{{\Gamma}}_R^f - {{\Gamma}}_R^b} \right) - \left( {{{\Gamma}}_{CR}^f - {{\Gamma}}_{CR}^b} \right)} \right)^2}.\nonumber\\\end{eqnarray}

Section: Rate Equations and Mathematical Formulation Of The Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Relevance of the calculation of the diffusion coefficient in a capillary electrophoresis experiment

Manzi,

Ranzuglia,

Centres

et al. 2023

Electrophoresis

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“…For example, a multi-selector model was established to explain the often observed superior enantioseparation selectivity of randomly substituted cyclodextrins (CDs) compared to single isomer CDs by treating the randomly substituted CD as a large number of defined chiral selectors, each contributing to the overall process [27]. Equation ( 1) also served as a basis for a kinetic Monte Carlo simulation process of CE enantioseparations [28]. Migration models including multi-selector models have been summarized [12,29].…”

Section: Theory Of Analyte Migrationmentioning

confidence: 99%

Advances of capillary electrophoresis enantioseparations in pharmaceutical analysis (2017–2020)

2021

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Capillary electrophoresis is a powerful technique for the analysis of polar chiral compounds and has been widely accepted for analytical enantioseparations of drug compounds in pharmaceuticals and biological media. In addition, many mechanistic studies have been conducted in an attempt to rationalize enantioseparations in combination with spectroscopic and computational techniques. The present review will focus on recent examples of mechanistic aspects and summarize recent applications of stereoselective pharmaceutical and biomedical analysis published between January 2017 and November 2020. Various separation modes including electrokinetic chromatography in combination with several detection modes including laser-induced fluorescence, mass spectrometry and contactless conductivity detection will be discussed. A general trend also observed in other analytical techniques is the application of quality by design principles in method development and optimization.

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Chiral resolution of cationic piperazine derivatives by capillary electrophoresis using sulfated β‐cyclodextrin

Niaei,

Hassanpour,

Petr

2024

Electrophoresis

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This research focuses on the development and validation of a capillary electrophoresis (CE) method for the chiral separation of three H1‐antihistamine drugs chlorcyclizine, norchlorcyclizine, and neobenodine using sulfated β‐cyclodextrin (S‐β‐CD) as the chiral selector. The study explores various factors influencing the separation efficiency, including CD concentration, organic modifier content, voltage application, and buffer pH. Optimal conditions were identified as a 100 mM phosphate buffer (pH 6.0) with 34 mg mL–1 S‐β‐CD and 40% (v/v) methanol. The method demonstrated excellent linearity in calibration curves, with coefficients of determination exceeding 0.99 for each enantiomer. Precision studies revealed good intra‐ and inter‐day precision for migration times and peak areas. The limits of detection and quantification for the analytes were within the ranges of 5.9–11.4 and 18–34.6 µmol L–1, respectively. Overall, the developed CE method offers a robust and precise approach for the chiral separation of H1‐antihistamine drugs, holding promise for pharmaceutical applications.

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An analytical model for enantioseparation process in capillary electrophoresis

Cited by 4 publications

References 34 publications

Relevance of the calculation of the diffusion coefficient in a capillary electrophoresis experiment

Relevance of the calculation of the diffusion coefficient in a capillary electrophoresis experiment

Advances of capillary electrophoresis enantioseparations in pharmaceutical analysis (2017–2020)

Chiral resolution of cationic piperazine derivatives by capillary electrophoresis using sulfated β‐cyclodextrin

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