Computational development of a phase-sensitive membrane raft probe

Autor:	Winslow, M, Robinson, D
Rok vydání:	2022
Předmět:	Membrane Microdomains Lipid Bilayers General Physics and Astronomy lipids (amino acids peptides and proteins) Physical and Theoretical Chemistry Molecular Dynamics Simulation Fluorescent Dyes
Zdroj:	Physical chemistry chemical physics : PCCP. 24(14)
ISSN:	1463-9084 1463-9076
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3c8f8ec90c0007d653058bffebeeaf40 https://pubmed.ncbi.nlm.nih.gov/35319559 Zobrazit plný text záznamu