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Winslow, M. 
ORCID: 0000-0003-1985-0905 and Robinson, D. ORCID: 0000-0003-2760-7163,
2022.
Computational development of a phase-sensitive membrane raft probe.
Physical Chemistry Chemical Physics.
ISSN 1463-9076
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1531065_Robinson.pdf - Post-print Download (1MB) | Preview |
Abstract
Derivatives of the widely used 1,6-diphenyl-1,3,5-hexatriene have been considered using spin-flip time-dependent density functional theory, classical molecular dynamics and hybrid quantum mechanics / molecular mechanics. We identify a potential probe of membrane phase (i.e. to preferentially detect liquid-ordered regions of lipid bilayers), which exhibits restricted access to a conical intersection in the liquid-ordered phase but is freely accessible in less ordered molecular environments. The characteristics of this probe also mark it as a candidate for an aggregation induced emission fluorophore.
| Item Type: | Journal article | ||||||
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| Publication Title: | Physical Chemistry Chemical Physics | ||||||
| Creators: | Winslow, M. and Robinson, D. | ||||||
| Publisher: | Royal Society of Chemistry | ||||||
| Date: | 18 March 2022 | ||||||
| ISSN: | 1463-9076 | ||||||
| Identifiers: |
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| Rights: | Attribution 3.0 Unported (CC BY 3.0). | ||||||
| Divisions: | Schools > School of Science and Technology | ||||||
| Record created by: | Jonathan Gallacher | ||||||
| Date Added: | 21 Mar 2022 10:16 | ||||||
| Last Modified: | 21 Mar 2022 10:16 | ||||||
| URI: | https://irep.ntu.ac.uk/id/eprint/45926 |
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