Orientation of Laurdan in Phospholipid Bilayers Influences Its Fluorescence: Quantum Mechanics and Classical Molecular Dynamics Study

Baig, Mirza Wasif; Pederzoli, Marek; Jurkiewicz, Piotr; Cwiklik, Lukasz; Pittner, Jiří

doi:https://dx.doi.org/10.3390/molecules23071707

Number of the records: 1

Orientation of Laurdan in Phospholipid Bilayers Influences Its Fluorescence: Quantum Mechanics and Classical Molecular Dynamics Study

1.

SYSNO ASEP	0499044
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Orientation of Laurdan in Phospholipid Bilayers Influences Its Fluorescence: Quantum Mechanics and Classical Molecular Dynamics Study
Author(s)	Baig, Mirza Wasif (UFCH-W) Pederzoli, Marek (UFCH-W)_{ORCID, RID} Jurkiewicz, Piotr (UFCH-W)_{RID, ORCID} Cwiklik, Lukasz (UFCH-W)_{RID, ORCID} Pittner, Jiří (UFCH-W)_{RID, ORCID}
Article number	1707
Source Title	Molecules. - : MDPI Roč. 23, č. 7 (2018)
Number of pages	12 s.
Language	eng - English
Country	CH - Switzerland
Keywords	water ; simulation ; vesicles ; program ; prodan ; model ; fluorescence
Subject RIV	CF - Physical ; Theoretical Chemistry
OECD category	Physical chemistry
R&D Projects	GAP208/12/0559 GA ČR - Czech Science Foundation (CSF)
	GA18-26751S GA ČR - Czech Science Foundation (CSF)
Method of publishing	Open access
Institutional support	UFCH-W - RVO:61388955
UT WOS	000445301800210
EID SCOPUS	85055604541
DOI	10.3390/molecules23071707
Annotation	Fluidity of lipid membranes is known to play an important role in the functioning of living organisms. The fluorescent probe Laurdan embedded in a lipid membrane is typically used to assess the fluidity state of lipid bilayers by utilizing the sensitivity of Laurdan emission to the properties of its lipid environment. In particular, Laurdan fluorescence is sensitive to gel vs liquid-crystalline phases of lipids, which is demonstrated in different emission of the dye in these two phases. Still, the exact mechanism of the environment effects on Laurdan emission is not understood. Herein, we utilize dipalmitoylphosphatidylcholine (DPPC) and dioleoylphosphatidylcholine (DOPC) lipid bilayers, which at room temperature represent gel and liquid-crystalline phases, respectively. We simulate absorption and emission spectra of Laurdan in both DOPC and DPPC bilayers with quantum chemical and classical molecular dynamics methods. We demonstrate that Laurdan is incorporated in heterogeneous fashion in both DOPC and DPPC bilayers, and that its fluorescence depends on the details of this embedding.
Workplace	J. Heyrovsky Institute of Physical Chemistry
Contact	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Year of Publishing	2019

Number of the records: 1