ArticleScience advances2022
Dynamic network of intermolecular interactions in metal-organic frameworks functionalized by molecular machines.
Article in Science advances, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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The trial behind it
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Who cites it
7 citing papers in PubMed.
- Structural Complexity, Network Formation and Spontaneous Chirality in Soft-Matter Self-Assembly.Accounts of chemical research · 2026Article
- Supramolecular Chemistry in Metal-Organic Framework Materials.Advanced materials (Deerfield Beach, Fla.) · 2025Review
- Solvent-Driven Modulation of Shuttling Dynamics in an Autonomous Chemically Fueled Information Ratchet.The journal of physical chemistry. B · 2025Article
- Modulating Narrow Bandgap in a Diacetylene Functionalized Woven Covalent Organic Framework as a Visible Light Responsive Photocatalyst.Advanced functional materials · 2024Article
- Functional dynamics in framework materials.Communications chemistry · 2023Review
- Into the dynamics of rotaxanes at atomistic resolution.Chemical science · 2023Article
- A molecular descriptor of intramolecular noncovalent interaction for regulating optoelectronic properties of organic semiconductors.Nature communications · 2023Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Molecular machines enable external control of structural and dynamic phenomena at the atomic level. To efficiently transfer their tunable properties into designated functionalities, a detailed understanding of the impact of molecular embedding is needed. In particular, a comprehensive insight is fundamental to design hierarchical multifunctional systems that are inspired by biological cells. Here, we applied an on-the-fly trained force field to perform atomistic simulations of a systematically modified rotaxane functionalized metal-organic framework. Our atomistic studies reveal a symmetric and asymmetric interplay of the mechanically bonded rings (MBRs) within the framework depending on the local environment. As a result, their translational motion is modulated ranging from fast oscillatory behavior to cooperative and potentially directed shuttling. The derived picture of competitive interactions, which influence the operation mechanism of the MBRs embedded in these soft porous materials, promotes the development of responsive functional materials, which is a key step toward intelligent matter.
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Registered trials
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