Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices

Modelling of the critical micelle concentrations (cmc) using the molecular connectivity indices was performed for a set of 21 cationic gemini surfactants with medium-length spacers. The obtained model contains only the second-order Kier and Hall molecular connectivity index. It is suggested that the...

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Autor principal: Mozrzymas, Anna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3843368/
https://www.ncbi.nlm.nih.gov/pubmed/24319301
http://dx.doi.org/10.1007/s10953-013-0095-6
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author Mozrzymas, Anna
author_facet Mozrzymas, Anna
author_sort Mozrzymas, Anna
collection PubMed
description Modelling of the critical micelle concentrations (cmc) using the molecular connectivity indices was performed for a set of 21 cationic gemini surfactants with medium-length spacers. The obtained model contains only the second-order Kier and Hall molecular connectivity index. It is suggested that the index (2) χ includes some information about flexibility. The obtained model was used to predict log(10) cmc of other cationic gemini surfactants. The agreement between calculated and experimental values of log(10) cmc for the gemini surfactants that were not used in the correlation is very good.
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spelling pubmed-38433682013-12-04 Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices Mozrzymas, Anna J Solution Chem Article Modelling of the critical micelle concentrations (cmc) using the molecular connectivity indices was performed for a set of 21 cationic gemini surfactants with medium-length spacers. The obtained model contains only the second-order Kier and Hall molecular connectivity index. It is suggested that the index (2) χ includes some information about flexibility. The obtained model was used to predict log(10) cmc of other cationic gemini surfactants. The agreement between calculated and experimental values of log(10) cmc for the gemini surfactants that were not used in the correlation is very good. Springer US 2013-11-02 2013 /pmc/articles/PMC3843368/ /pubmed/24319301 http://dx.doi.org/10.1007/s10953-013-0095-6 Text en © The Author(s) 2013 https://creativecommons.org/licenses/by/2.0/ Open AccessThis article is distributed under the terms of the Creative Commons Attribution License which permits any use, distribution, and reproduction in any medium, provided the original author(s) and the source are credited.
spellingShingle Article
Mozrzymas, Anna
Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices
title Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices
title_full Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices
title_fullStr Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices
title_full_unstemmed Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices
title_short Modelling of the Critical Micelle Concentration of Cationic Gemini Surfactants Using Molecular Connectivity Indices
title_sort modelling of the critical micelle concentration of cationic gemini surfactants using molecular connectivity indices
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3843368/
https://www.ncbi.nlm.nih.gov/pubmed/24319301
http://dx.doi.org/10.1007/s10953-013-0095-6
work_keys_str_mv AT mozrzymasanna modellingofthecriticalmicelleconcentrationofcationicgeminisurfactantsusingmolecularconnectivityindices

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