Christopher D. Jones
Scrolling in Supramolecular Gels: A Designer’s Guide
Jones, Christopher D.; Kershaw Cook, Laurence J.; Slater, Anna G.; Yufit, Dmitry S.; Steed, Jonathan W.
Authors
Laurence J. Kershaw Cook
Anna G. Slater
Dr Dmitry Yufit d.s.yufit@durham.ac.uk
Academic Visitor
Professor Jonathan Steed jon.steed@durham.ac.uk
Professor
Abstract
Gelation by small molecules is a topic of enormous importance in catalysis, nanomaterials, drug delivery, and pharmaceutical crystallization. The mechanism by which gelators self-organize into a fibrous gel network is poorly understood. Herein, we describe the crystal structures and gelation properties of a library of bis(urea) compounds and show, via molecular dynamics simulations, how gelator aggregation progresses from a continuous pattern of supramolecular motifs to a homogeneous fiber network. Our model suggests that lamellae with asymmetric surfaces scroll into uniform unbranched fibrils, while sheets with symmetric surfaces undergo stacking to form crystals. The self-assembly of asymmetric lamellae is associated with specific molecular features, such as the presence of narrow and flexible end groups with high packing densities, and likely represents a general mechanism for the formation of small-molecule gels.
Citation
Jones, C. D., Kershaw Cook, L. J., Slater, A. G., Yufit, D. S., & Steed, J. W. (2024). Scrolling in Supramolecular Gels: A Designer’s Guide. Chemistry of Materials, 36(6), 2799-2809. https://doi.org/10.1021/acs.chemmater.3c03013
Journal Article Type | Article |
---|---|
Acceptance Date | Feb 27, 2024 |
Online Publication Date | Mar 9, 2024 |
Publication Date | Mar 26, 2024 |
Deposit Date | May 15, 2024 |
Publicly Available Date | May 15, 2024 |
Journal | Chemistry of Materials |
Print ISSN | 0897-4756 |
Electronic ISSN | 1520-5002 |
Publisher | American Chemical Society |
Peer Reviewed | Peer Reviewed |
Volume | 36 |
Issue | 6 |
Pages | 2799-2809 |
DOI | https://doi.org/10.1021/acs.chemmater.3c03013 |
Public URL | https://durham-repository.worktribe.com/output/2361881 |
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Copyright Statement
Published by American Chemical Society. This publication is licensed under CC-BY 4.0.
Scrolling in Supramolecular Gels: A Designer’s Guide
(17.8 Mb)
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