A Ni4O4-cubane-squarate coordination framework for molecular recognition

Qingqing Yan, Shuyi An, Liang Yu, Shenfang Li, Xiaonan Wu, Siqi Dong, Shunshun Xiong (), Hao Wang (), Sujing Wang () and Jiangfeng Du
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Qingqing Yan: University of Science and Technology of China
Shuyi An: University of Science and Technology of China
Liang Yu: Shenzhen Polytechnic University
Shenfang Li: Shenzhen Polytechnic University
Xiaonan Wu: China Academy of Engineering Physics (CAEP)
Siqi Dong: China Academy of Engineering Physics (CAEP)
Shunshun Xiong: China Academy of Engineering Physics (CAEP)
Hao Wang: Shenzhen Polytechnic University
Sujing Wang: University of Science and Technology of China
Jiangfeng Du: University of Science and Technology of China

Nature Communications, 2024, vol. 15, issue 1, 1-10

Abstract: Abstract Molecular recognition is a fundamental function of natural systems that ensures biological activity. This is achieved through the sieving effect, host-guest interactions, or both in biological environments. Recent advancements in multifunctional proteins reveal a new dimension of functional organization that goes beyond single-function molecular recognition, emphasizing the need for artificial multifunctional materials in industrial applications. Herein, we have designed a porous Ni4O4-cubane squarate coordination polymer as an artificial molecular recognition host, drawing inspiration from the structural and functional features of natural enzymes. A comprehensive assessment of the material’s ability to distinguish target species under different operating conditions was carried out. The results confirm its sieving function through hexane isomers separation, host-guest interaction function via xenon/krypton separation, and dual presence of sieving and interaction through carbon dioxide/nitrogen separation. Additionally, the material demonstrates good stability and feasibility for large-scale production, indicating its practical potential. Our findings provide a bio-inspired multifunctional recognition material for chemical separations as proof-of-concept while offering solutions to advance artificial multifunctional materials adaptable to other applications beyond chemical separations.

Date: 2024
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DOI: 10.1038/s41467-024-54348-1

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