Self?assembly of surfactin?like polymer in solution by dissipative particle dynamics method

Surfactin is a kind of special and efficient cyclic lipopeptide biosurfactant, which is composed of a seven?peptide ring and a fatty acid tail chain and is widely used in the fields of medicine, environmental remediation, and heavy oil transportation. This special ring structure also makes surfactin have great application potential in biomedicine and surface catalysis. In this work, the self?assembly behavior of surfactin?like polymer in selective solvents was studied by dissipative particle dynamics (DPD). By changing the interaction parameters, the size of hydrophilic ring, the length of hydrophobic tail chain and the concentration, a series of structures such as vesicles, disk?like micelles, worm?like micelles, sphere?like micelles and ring?like micelles were obtained from the establishment of the phase diagram. We explored the dynamic formation paths of vesicles and ring?like micelles, and discovered the morphological changes during their aggregation. The mechanism of sphere?like micelle formation at lower concentration has also been studied, explained by the packing of molecules of effective conical shape. The structural properties of the vesicles are also intensively studied. Based on the special ring structure of surfactin?like polymer, we explored the difference of their self?assembly behavior from those of linear block copolymers and giant surfactant?like polymer. The detailed study on the self?assembly of surfactin?like polymer can deepen the understanding of ordered aggregates of cyclic surfactants in selective solvents and can drive important implications for their practical application.

» Publication Date: 29/01/2023

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This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement Nº 768737


                   




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