Self-Assembling Peptide-Appended Metallomacrocycle Pores for Selective Water Translocation

Artificial water channels selectively transport water, excluding all ions. Unimolecular channels have been synthesized via complex synthetic steps. Ideally, simpler compounds requesting less synthetic steps should efficiently lead to selective channels by self-assembly. Herein, we report a self-assembled peptide-bound Ni2+ metallomacrocycle, 1, in which rim-peptide-bound units are connected to a central macrocycle obtained via condensation in the presence of Ni2+ ions. Compound 1 achieves a single-channel permeability up to 107-108 water/s/channel and insignificant ion transport, which is 1 order of magnitude lower than those for aquaporins. Molecular simulations probe that spongelike aggregates can form to generate transient cluster water pathways through the bilayer. Altogether, adaptive metallosupramolecular self-assembly is an efficient and simple way to construct selective channel superstructures.