Aggregation Properties and Toxicity of Newly Synthesized Thiazolium Based Surfactants – Thermodynamic and Computational Study

Abstract Two new thiazolium-based surfactants namely N -dodecylthiazolium bromide, [NddTz][Br] and N -dodecyl-4-methylthiazolium bromide, [4mNddTz][Br], were synthesized and investigated as new surface active and antimicrobial agents. Their thermal stability is determined by TG/DSC measurements, and the self-assembly behaviour in aqueous solutions systematically studied applying experimental and molecular dynamics (MD) approach. Obtained results of surface tension and electrical conductivity showed that both newly synthesized salts possess a similar surface activity in aqueous solutions compared to imidazolium-based surface active N -dodecyl-3-methylimidazolium bromide, [NddmIm][Br], ionic liquid. Also, thermodynamic parameters of micellization are calculated and compared with the results obtained by volumetric measurements. Antimicrobial activity of these salts is tested by microdilution method on Gram-positive and Gram-negative bacteria and yeasts. In vitro cytotoxicity study has been performed using human fetal lung fibroblasts (MRC-5) and colon adenocarcinoma (HT-29) cell line.