Počet záznamů: 1
Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states
0346415 - UFCH-W 2011 RIV NL eng J - Článek v odborném periodiku
Barucha-Kraszewska, Justyna - Kraszewski, S. - Jurkiewicz, Piotr - Ramseyer, Ch. - Hof, Martin
Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states.
Biochimica Et Biophysica Acta-Biomembranes. Roč. 1798, č. 9 (2010), s. 1724-1734 ISSN 0005-2736
Grant CEP: GA MŠk(CZ) LC06063; GA ČR GA203/08/0114
Výzkumný záměr: CEZ:AV0Z40400503
Klíčová slova: molecular dynamics * fluorescent probe * membrane
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 4.647, rok: 2010
Fluorescence methods are widely used in studies of biological and model membranes. The dynamics of membrane fluorescent markers in their ground and excited electronic states and correlations with their molecular surrounding within the fully hydrated phospholipid bilayer are still not well understood. In the present work, Quantum Mechanical (QM) calculations and Molecular Dynamics (MD) simulations are used to characterize location and interactions of two membrane polarity probes (Prodan; 6-propionyl-2-dimethylaminonaphthalene and its derivative Laurdan; 2-dimethylamino-6-lauroylnaphthalene) with the dioleoylphosphatidylcholine (DOPC) lipid bilayer model. MD simulations with fluorophores in ground and excited states are found to be a useful tool to analyze the fluorescent dye dynamics and their immediate vicinity. The results of QM calculations and MD simulations are in excellent agreement with available experimental data.
Trvalý link: http://hdl.handle.net/11104/0187452