Stoichiometry-Controlled Structural Transformation of Diphenylalanine Nanoassemblies through Coassembly with Charged...

Area of Science:

• Supramolecular Chemistry
• Materials Science
• Nanotechnology

Background:

• Peptide self-assembly yields diverse nanostructures with biomedical potential.
• Controlling peptide assembly morphology is challenging due to polymorphism and environmental sensitivity.

Purpose of the Study:

• To develop a stoichiometry-controlled strategy for tuning supramolecular nanostructure morphology.
• To investigate the formation mechanisms of diverse peptide nanostructures.

Main Methods:

• Coassembling diphenylalanine (FF) with charged aromatic dipeptides at varying ratios.
• Utilizing coarse-grained and all-atom simulations for prediction and stability validation.
• Experimental characterization of resulting nanostructures.

Main Results:

• Achieved diverse morphologies: 1D nanotubes, 2D planar sheets, and 3D nanovesicles by altering FF ratio.
• Identified aromatic stacking and electrostatic repulsion as key driving forces.
• Observed pH-responsive transformations between nanovesicles and planar sheets.

Conclusions:

• Stoichiometry control is effective for designing tunable multidimensional peptide nanostructures.
• Emergence of planar sheets at high charged dipeptide ratios is notable.
• Potential applications in nanomedicine, including targeted drug delivery systems.