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Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F11%3A00366585%21RIV12-AV0-61388955
rdf:type
n14:Vysledek skos:Concept
dcterms:description
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. 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.
dcterms:title
Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study
skos:prefLabel
Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study Absorption and Fluorescence of PRODAN in Phospholipid Bilayers: A Combined Quantum Mechanics and Classical Molecular Dynamics Study
skos:notation
RIV/61388955:_____/11:00366585!RIV12-AV0-61388955
n14:predkladatel
n15:ico%3A61388955
n5:aktivita
n16:P n16:Z
n5:aktivity
P(IAA400400810), Z(AV0Z40400503), Z(AV0Z40550506)
n5:cisloPeriodika
41
n5:dodaniDat
n9:2012
n5:domaciTvurceVysledku
n7:7569467 Cwiklik, Lukasz n7:3982181 n7:6643604
n5:druhVysledku
n18:J
n5:duvernostUdaju
n19:S
n5:entitaPredkladatele
n6:predkladatel
n5:idSjednocenehoVysledku
184333
n5:idVysledku
RIV/61388955:_____/11:00366585
n5:jazykVysledku
n10:eng
n5:klicovaSlova
fluorescence; density functional theory; charge transfer
n5:klicoveSlovo
n12:fluorescence n12:charge%20transfer n12:density%20functional%20theory
n5:kodStatuVydavatele
US - Spojené státy americké
n5:kontrolniKodProRIV
[8183A1D0EE03]
n5:nazevZdroje
Journal of Physical Chemistry A
n5:obor
n11:CF
n5:pocetDomacichTvurcuVysledku
4
n5:pocetTvurcuVysledku
7
n5:projekt
n20:IAA400400810
n5:rokUplatneniVysledku
n9:2011
n5:svazekPeriodika
115
n5:tvurceVysledku
Vazdar, Mario Aquino, A. J. A. Pittner, Jiří Lischka, H. Jurkiewicz, Piotr Hof, Martin Cwiklik, Lukasz
n5:wos
000295700600035
n5:zamer
n13:AV0Z40400503 n13:AV0Z40550506
s:issn
1089-5639
s:numberOfPages
10
n4:doi
10.1021/jp205966b