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

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. 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. (en)
Title	Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states (en)
skos:prefLabel	Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states (en)
skos:notation	RIV/61388955:_____/10:00346415!RIV11-GA0-61388955
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/08/0114), P(LC06063), Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika	9
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Hof, Martin Jurkiewicz, Piotr Barucha-Kraszewska, Justyna
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	275682
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/10:00346415
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	molecular dynamics; fluorescent probe; membrane (en)
http://linked.open.../riv/klicoveSlovo	fluorescent probe molecular dynamics membrane
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[9EF96F9C3CE2]
http://linked.open...i/riv/nazevZdroje	Biochimica Et Biophysica Acta-Biomembranes
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Specific ion effects for proteins in solutions and related biologically relevant systems. Flurescence microscopy in biological and medical research
http://linked.open...UplatneniVysledku	2010
http://linked.open...v/svazekPeriodika	1798
http://linked.open...iv/tvurceVysledku	Hof, Martin Jurkiewicz, Piotr Barucha-Kraszewska, Justyna Kraszewski, S. Ramseyer, Ch.
http://linked.open...ain/vavai/riv/wos	000280752100010
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
issn	0005-2736
number of pages	11 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Numerical studies of the membrane fluorescent dyes dynamics in ground and excited states

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