Počet záznamů: 1

Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states

  1. 1.
    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