Computational development of a phase-sensitive membrane raft probe

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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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
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:
NumberType
10.1039/d2cp00431cDOI
1531065Other
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: http://irep.ntu.ac.uk/id/eprint/45926

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