2026-07-28 分子科学研究所
揺らぐナノ細孔における揺らぎ駆動型質量選択輸送の概略図
＜関連情報＞
動的ナノ細孔における揺らぎ駆動型質量選択輸送 Fluctuation-driven mass-selective transport in dynamic nanopores
Zhiye Tang,Ken-ichi Otake,Hirotoshi Sakamoto,Susumu Kitagawa & Shinji Saito
Nature Communications Published:15 July 2026
DOI:https://doi.org/10.1038/s41467-026-75540-5 Unedited version
Abstract
Precise molecular separation is essential in nanotechnology. However, static designs based on pore size and host-guest interactions often fail for species with nearly identical properties. To overcome this, we elucidate how nanopore dynamics govern transport and separation by establishing a general, predictive framework. We demonstrate that diffusion in a fluctuating periodic potential is maximized at an optimal fluctuation rate. Critically, this rate depends on molecular mass, translating subtle mass differences into significant kinetic disparities. By integrating this framework with quantum-chemical energy landscapes for archetypal soft porous crystals, we identify two factors governing selectivity: the magnitude of energy-barrier fluctuations and the alignment between nanopore dynamics and the energy-fluctuation rate that maximizes selectivity. These results establish nanopore dynamics as a key design dimension for controlling separation by tuning structural dynamics via ligand substitution or external fields, providing a theoretical foundation for the rational design of separation materials.
