Cyanine Dye Coupling Mediates Self‐assembly of a pH Sensitive Peptide into Novel 3D Architectures

Synthetic multichromophore systems are of great importance in artificial light harvesting devices, organic optoelectronics, tumor imaging and therapy. Here, we introduce a promising strategy for the construction self-assembled peptide templated dye stacks based on coupling de novo designed pH sensitive with cyanine Cy5 at its N-terminus. Microscopic techniques, particular cryogenic TEM (cryo-TEM) cryo-electron tomography technique (cryo-ET), reveal two types highly ordered three-dimensional assembly structures micrometer scale. Unbranched compact layered rods observed 7.4 two-dimensional membrane-like assemblies 3.4, both species displaying spectral features H-aggregates. Molecular dynamics simulations that moieties promotes formation ultrastructures, whereas protonation states acidic basic amino acid side chains dictates their ultimate organization.