Skip to main content

Research Repository

Advanced Search

Scrolling in Supramolecular Gels: A Designer’s Guide

Jones, Christopher D.; Kershaw Cook, Laurence J.; Slater, Anna G.; Yufit, Dmitry S.; Steed, Jonathan W.

Scrolling in Supramolecular Gels: A Designer’s Guide Thumbnail


Authors

Christopher D. Jones

Laurence J. Kershaw Cook

Anna G. Slater



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

Files


Scrolling in Supramolecular Gels: A Designer’s Guide (17.8 Mb)
Archive





You might also like



Downloadable Citations