On the hydrophobic chains effect on critical micelle concentration of cationic gemini surfactants using molecular connectivity indices
AbstractThe infuence of the structure of hydrophobic tail chains on the critical micelle concentration of cationic gemini surfactants, using only the molecular connectivity indices, has been investigated in this work. The best model obtained shows that the relationship between the logarithm of critical micelle concentration and the alkyl chains length is parabolic. The formula has been derived for compounds with the same head groups and the same, medium length, spacer but with various hydrocarbon tail chains. Good-quality QSPR model obtained can be used to predict the critical micelle concentration value of structurally similar gemini surfactants as well as to design the structure of the hydrophobic tail chains to obtain new molecules more active in micelle formation.
|Journal series||Monatshefte für Chemie, [Monatshefte für Chemie], ISSN 0026-9247, e-ISSN 1434-4475, (N/A 40 pkt)|
|Publication size in sheets||0.5|
|Keywords in English||Cationic surfactants; Chains; Critical micelle concentration; QSPR; Topological descriptors|
|License||Journal (articles only); published final; ; with publication|
|Score||= 40.0, 12-05-2021, ArticleFromJournal|
|Publication indicators||= 1; = 1; : 2017 = 0.549; : 2019 = 1.349 (2) - 2019=1.194 (5)|
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