Microscopic\nOrigin of Surfactant Irritation: An Experimental\nand Computational Study

Surfactants, which are widely used in skin care products\nand cleansers,\ncan cause skin irritation. The skin irritation potential of surfactants\nis fundamentally determined by their molecular structure and is directly\nrelated to their microscopic aggregation structure and specific interactions\nwith the skin. The microscopic origin of the irritation of the surfactants\nremains unknown. In this work, irritation properties of four surfactant\nsolutions were measured, and their microscopic aggregation behavior\nwas systematically analyzed. The results indicate that the surfactants\nself-assembled in aqueous solution to form aggregates with different\nmorphologies, where the head groups of surfactants were closer to\neach other. Furthermore, surfactants that can form larger and more\nstable aggregate structures in aqueous solutions will exhibit less\nirritation. These findings hold significant implications for the design\nand expanded applications of mild surfactants.