Absorption and fluorescence of PRODAN in phospholipid bilayers: a combined quantum mechanics and classical molecular dynamics study
Jazyk angličtina Země Spojené státy americké Médium print-electronic
Typ dokumentu časopisecké články, práce podpořená grantem, Research Support, U.S. Gov't, Non-P.H.S.
PubMed
21910413
DOI
10.1021/jp205966b
Knihovny.cz E-zdroje
- MeSH
- 2-naftylamin analogy a deriváty chemie MeSH
- fluorescenční spektrometrie MeSH
- fosfolipidy chemie MeSH
- kvantová teorie * MeSH
- lipidové dvojvrstvy chemie MeSH
- simulace molekulární dynamiky * MeSH
- spektrofotometrie ultrafialová MeSH
- Publikační typ
- časopisecké články MeSH
- práce podpořená grantem MeSH
- Research Support, U.S. Gov't, Non-P.H.S. MeSH
- Názvy látek
- 2-naftylamin MeSH
- fosfolipidy MeSH
- lipidové dvojvrstvy MeSH
- prodan MeSH Prohlížeč
Absorption and fluorescence spectra of PRODAN (6-propionyl-2-dimethylaminonaphthalene) were studied by means of the time-dependent density functional theory and the algebraic diagrammatic construction method. The influence of environment, a phosphatidylcholine lipid bilayer and water, was taken into account employing a combination of quantum chemical calculations with empirical force-field molecular dynamics simulations. Additionally, experimental absorption and emission spectra of PRODAN were measured in cyclohexane, water, and lipid vesicles. Both planar and twisted configurations of the first excited state of PRODAN were taken into account. The twisted structure is stabilized in both water and a lipid bilayer, and should be considered as an emitting state in polar environments. Orientation of the excited dye in the lipid bilayer significantly depends on configuration. In the bilayer, the fluorescence spectrum can be regarded as a combination of emission from both planar and twisted structures.
Citace poskytuje Crossref.org
Time-resolved fluorescence in lipid bilayers: selected applications and advantages over steady state
