Abstract
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 log10 cmc of other cationic gemini surfactants. The agreement between calculated and experimental values of log10 cmc for the gemini surfactants that were not used in the correlation is very good.
Highlights
Gemini surfactants are molecules constructed of two hydrophobic chains and two polar/ ionic headgroups connected by the various spacer groups
From the obtained relationship (Eq 4) it follows that when the number of atoms and/or the number of branches in the spacer group increase, and in consequence the value of 2v increases the cmc decreases
Experimental values of cmc are the following: 1.09, 0.97, 0.7 [17, 21, 22], respectively. It follows that when the number of atoms and/or the number of branches increase in the spacer group the cmc decreases
Summary
Gemini surfactants are molecules constructed of two hydrophobic chains and two polar/ ionic headgroups connected by the various spacer groups. Owing to their structure they have unique properties in aqueous solution, such as low critical micelle concentration (cmc) and high surface activity. Cationic gemini surfactants appear to be excellent for binding and compacting DNA. These surfactants bind DNA with higher efficiency and have better transfection efficiencies than their monomeric counterparts. Many conventional surfactants show good anti-microbial properties with respect to a large spectrum of bacteria, fungi and viruses, and simultaneously they are innocuous for living organisms, but the gemini compounds are much more active [2].
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