Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis
In this work, the Dubsky's model proposed for Capillary Electrophoresis (CE) enantioseparation systems with a mixture of chiral selectors was applied to the rapid optimization of the simultaneous enantiomeric separation of a multicomponent mixture of six phenoxy acid herbicides using a dual system o...
| Autores: | ; ; ; |
|---|---|
| Tipo de documento: | Artículo |
| Fecha de publicación: | 2020 |
| País: | España |
| Institución: | Universidad de Alcalá (UAH) |
| Repositorio: | e_Buah Biblioteca Digital Universidad de Alcalá |
| Lenguaje: | Inglés |
| OAI Identifier: | oai:ebuah.uah.es:10017/47099 |
| Acceso en línea: | http://hdl.handle.net/10017/47099 https://dx.doi.org/10.1016/j.chroma.2019.460552 |
| Nivel de acceso: | Acceso abierto |
| Palabra clave: | Simultaneous chiral separation, enantiomers Phenoxy acid herbicides Electrokinetic chromatography Modeling-based optimization Cyclodextrin dual systems Química Chemistry |
| _version_ | 1878736994157199360 |
|---|---|
| author | Marina Alegre, María Luisa|||0000-0002-5583-1624 |
| author2 | García González, María Ángeles|||0000-0001-6292-8232 Saz Díaz, José María|||0000-0002-6989-8272 Casado Navas, Natalia |
| author2_role | author author author |
| author_browse | Casado Navas, Natalia García González, María Ángeles|||0000-0001-6292-8232 Marina Alegre, María Luisa|||0000-0002-5583-1624 Saz Díaz, José María|||0000-0002-6989-8272 |
| author_facet | Marina Alegre, María Luisa|||0000-0002-5583-1624 García González, María Ángeles|||0000-0001-6292-8232 Saz Díaz, José María|||0000-0002-6989-8272 Casado Navas, Natalia |
| author_role | author |
| collection | e_Buah Biblioteca Digital Universidad de Alcalá |
| description | In this work, the Dubsky's model proposed for Capillary Electrophoresis (CE) enantioseparation systems with a mixture of chiral selectors was applied to the rapid optimization of the simultaneous enantiomeric separation of a multicomponent mixture of six phenoxy acid herbicides using a dual system of two cyclodextrins (CDs), (2-hydroxypropyl)-beta-CD (HP-beta-CD) and heptakis(2,3,6-tri-O-methyl)-beta-CD (TM-beta-CD). Simply by carrying out a small number of individual experiments separately with each CD, the Dubsky's model enabled to foresee the results that could be obtained for any possible combination of concentrations and relative proportion of both CDs in the mixture. Results obtained in this work demonstrated that the model was successful by improving the previous results experimentally obtained by the trial and error method for the simultaneous enantiomeric separation of the six phenoxy acid herbicides studied in this work. In fact, the separation was improved in terms of enantiomeric resolutions obtained (from 1.2 to 4.2 for concentrations of CDs of 4 mM HP-beta-CD and 16 mM TM-beta-CD) and by considerably reducing the time to optimize the separation conditions enabling to find, in a faster and efficient way, the most adequate proportion of both CDs and the concentration of each CD in the mixture to obtain baseline separation of the twelve enantiomers. Additionally, the apparent complexation constants between enantiomers and each CD were calculated. This is the first time that the above-mentioned model was applied to a multicomponent mixture of chiral compounds. (C) 2019 Elsevier B.V. All rights reserved. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | ES_98bb578c5b3986e910f512cab2b88a7e |
| institution | Universidad de Alcalá (UAH) |
| instname_str | Universidad de Alcalá (UAH) |
| language | eng |
| network_acronym_str | ES |
| network_name_str | España |
| oai_identifier_str | oai:ebuah.uah.es:10017/47099 |
| publishDate | 2020 |
| publishDateSort | 2020 |
| reponame_str | e_Buah Biblioteca Digital Universidad de Alcalá |
| spelling | Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis Marina Alegre, María Luisa|||0000-0002-5583-1624 García González, María Ángeles|||0000-0001-6292-8232 Saz Díaz, José María|||0000-0002-6989-8272 Casado Navas, Natalia Simultaneous chiral separation, enantiomers Phenoxy acid herbicides Electrokinetic chromatography Modeling-based optimization Cyclodextrin dual systems Química Chemistry In this work, the Dubsky's model proposed for Capillary Electrophoresis (CE) enantioseparation systems with a mixture of chiral selectors was applied to the rapid optimization of the simultaneous enantiomeric separation of a multicomponent mixture of six phenoxy acid herbicides using a dual system of two cyclodextrins (CDs), (2-hydroxypropyl)-beta-CD (HP-beta-CD) and heptakis(2,3,6-tri-O-methyl)-beta-CD (TM-beta-CD). Simply by carrying out a small number of individual experiments separately with each CD, the Dubsky's model enabled to foresee the results that could be obtained for any possible combination of concentrations and relative proportion of both CDs in the mixture. Results obtained in this work demonstrated that the model was successful by improving the previous results experimentally obtained by the trial and error method for the simultaneous enantiomeric separation of the six phenoxy acid herbicides studied in this work. In fact, the separation was improved in terms of enantiomeric resolutions obtained (from 1.2 to 4.2 for concentrations of CDs of 4 mM HP-beta-CD and 16 mM TM-beta-CD) and by considerably reducing the time to optimize the separation conditions enabling to find, in a faster and efficient way, the most adequate proportion of both CDs and the concentration of each CD in the mixture to obtain baseline separation of the twelve enantiomers. Additionally, the apparent complexation constants between enantiomers and each CD were calculated. This is the first time that the above-mentioned model was applied to a multicomponent mixture of chiral compounds. (C) 2019 Elsevier B.V. All rights reserved. Ministerio de Economía y Competitividad http://hdl.handle.net/10017/47099 https://dx.doi.org/10.1016/j.chroma.2019.460552 |
| spellingShingle | Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis Marina Alegre, María Luisa|||0000-0002-5583-1624 Simultaneous chiral separation, enantiomers Phenoxy acid herbicides Electrokinetic chromatography Modeling-based optimization Cyclodextrin dual systems Química Chemistry |
| title | Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis |
| title_full | Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis |
| title_fullStr | Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis |
| title_full_unstemmed | Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis |
| title_short | Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis |
| title_sort | Modeling-based optimization of the simultaneous enantiomeric separation of multicomponent mixtures of phenoxy acid herbicides using dual cyclodextrin systems by Capillary Electrophoresis |
| topic | Simultaneous chiral separation, enantiomers Phenoxy acid herbicides Electrokinetic chromatography Modeling-based optimization Cyclodextrin dual systems Química Chemistry |
| topic_facet | Simultaneous chiral separation, enantiomers Phenoxy acid herbicides Electrokinetic chromatography Modeling-based optimization Cyclodextrin dual systems Química Chemistry |
| url | http://hdl.handle.net/10017/47099 https://dx.doi.org/10.1016/j.chroma.2019.460552 |