SELF ASSEMBLING, STIMULI RESPONSIVE, SURFACTANT-LIKE CYCLIC AMPHIPHILIC PEPTIDES | Journal of......

Ab initio Hartree Fock molecular orbital simulations coupled with intermolecular interaction calculations were used to investigate small cationic and anionic amphiphilic cyclic peptides. The molecular role of these amphiphilic compounds in eliminating heavy metal ion impurity has been investigated. The conformational and electrostatic variables that regulate spontaneous self-assembly of these compounds, leading to film formation, have been thoroughly addressed. The forces at work in film are critical in terms of assembly/disassembly, which is driven by an auto reaction to environmental changes such as pH and concentration. This research will help in the development of novel nanomaterials with required auto-responsive qualities as well as mechanical strength and flexibility in film.

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