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

0499044 - ÚFCH JH 2019 RIV CH eng J - Článek v odborném periodiku
Baig, Mirza Wasif - Pederzoli, Marek - Jurkiewicz, Piotr - Cwiklik, Lukasz - Pittner, Jiří
Orientation of Laurdan in Phospholipid Bilayers Influences Its Fluorescence: Quantum Mechanics and Classical Molecular Dynamics Study.
Molecules. Roč. 23, č. 7 (2018), č. článku 1707. E-ISSN 1420-3049
Grant CEP: GA ČR(CZ) GAP208/12/0559; GA ČR(CZ) GA18-26751S
Institucionální podpora: RVO:61388955
Klíčová slova: water * simulation * vesicles * program * prodan * model * fluorescence
Obor OECD: Physical chemistry
Impakt faktor: 3.060, rok: 2018
Způsob publikování: Open access

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.
Trvalý link: http://hdl.handle.net/11104/0291334