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Design of artificial biomimetic channels with Na^(+)permeation rate and selectivity potentially outperforming the natural sodium channel

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Nano Research 2024年第9期17卷 8638-8646页

作者： Zhi Zhu Yan Zhao Chao Chang Shaojian Yan Tingyu Sun Shiyu Gu Yangmei Li Dengsong Zhang Chunlei Wang Xiao Cheng Zeng School of Optical-Electrical and Computer Engineering University of Shanghai for Science and TechnologyShanghai 200093China Innovation Laboratory of Terahertz Biophysics National Innovation Institute of Defense TechnologyBeijing 100071China School of Physics Peking UniversityBeijing 100871China International Joint Laboratory of Catalytic Chemistry College of SciencesShanghai UniversityShanghai 200444China Department of Materials Science and Engineering City University of Hong KongHong Kong 999077China

Artificial ion channels that enable high-efficiency ion transport have important implications in nanofluidics and biomedical applications such as drug ***,we show a simulation-based chemical design of a biomimetic sodium channel that possesses permeation rate and selectivity potentially higher than those of the state-of-the-art natural vertebrate voltage-gated sodium ***,our theoretical findings have undergone empirical testing,aligning well with the Arrhenius law as derived from a diverse range of experimental *** high-efficiency ion transport is achieved by anchoring the carboxylate functional groups within the channel filter.A key chemical guiding principle underlying the ion channel design is that the free-energy barrier for the Na^(+)passage across the channel should be comparable to typical thermal energy at room *** the implementation of the chemical design,we found that the relatively low free-energy barrier can be attributed to the compensation effect of the carboxylate groups to the partially lost oxygen shell of the ion within the ion channel,as well as to the consonant vibration of the ions inside and outside the *** mechanistic understanding brings new insight,at the molecular level,into the high-efficiency ion transport across the designed membrane *** proof of principle achieved from the simulations will stimulate future experimental confirmation and potential applications of the high-performance artificial channels in nanofluidics and in bioinspired iontronics.

关键词： sodium channels anchoring carboxylate functional groups molecular dynamics simulations low free-energy barrier for ion passage thermal kinetic energy

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