U-Shaped Water Channels study just published

By combining pyridine-2,6-dicarboxamide and imidazole motifs, we designed multivalent U-shaped AWCs capable of stabilizing water clusters through diverse hydrogen-bonding interactions. Crystal structures reveal the formation of stable water superstructures in the solid state, featuring hydrophilic pores (~9 Å diameter) accommodating water clusters and sterically hindered hydrophobic channels (~3 Å diameter) stabilizing water wires. These U-channels achieve a single-channel permeability of 1.2 × 10^7 H₂O molecules per second per channel, approaching the efficiency of AQPs. Additionally, the U-channels facilitate proton transport while completely rejecting anions, indicating potential applications in desalination membranes.

Molecular simulations confirm that U-channels can form stable supramolecular porous structures when decorated with hydrophobic alkyl chains, featuring multivalent water hydrogen-bonding units that serve as water-cluster relays within the channel. This work highlights the significance of water-cluster stabilization via multivalent hydrogen bonding in achieving selective transport through water channels.

• Design of Multivalent U-Shaped AWCs: Combining pyridine-2,6-dicarboxamide and imidazole motifs to create channels that mimic natural AQPs.
• Structural Insights: Crystal structures reveal hydrophilic pores accommodating water clusters and hydrophobic channels stabilizing water wires.
• High Water Permeability: Achieving a single-channel permeability of 1.2 × 10^7 H₂O molecules per second per channel.
• Selective Transport: Facilitating proton transport while rejecting anions, with potential applications in desalination.
• Molecular Simulations: Confirming the formation of stable supramolecular porous structures with hydrophobic alkyl chain decorations.