Počet záznamů: 1

Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations

SYSNO ASEP	0433922
Druh ASEP	J - Článek v odborném periodiku
Zařazení RIV	J - Článek v odborném periodiku
Poddruh J	Článek ve WOS
Název	Does fluoride disrupt hydrogen bond network in cationic lipid bilayer? Time-dependent fluorescence shift of Laurdan and molecular dynamics simulations
Tvůrce(i)	Pokorná, Šárka (UFCH-W)_RID Jurkiewicz, Piotr (UFCH-W)_{RID, ORCID} Vazdar, M. (HR) Cwiklik, Lukasz (UOCHB-X)_{RID, ORCID} Jungwirth, Pavel (UOCHB-X)_{RID, ORCID} Hof, Martin (UFCH-W)_{RID, ORCID}
Zdroj.dok.	Journal of Chemical Physics. - : AIP Publishing - ISSN 0021-9606 Roč. 141, č. 22 (2014), 22D516
Poč.str.	9 s.
Jazyk dok.	eng - angličtina
Země vyd.	US - Spojené státy americké
Klíč. slova	fluorescence sfifts ; Cationic lipids ; Hydrogen bond networks
Vědní obor RIV	CF - Fyzikální chemie a teoretická chemie
CEP	GBP208/12/G016 GA ČR - Grantová agentura ČR
Institucionální podpora	UFCH-W - RVO:61388955 ; UOCHB-X - RVO:61388963
UT WOS	000346272800063
EID SCOPUS	84908403492
DOI	10.1063/1.4898798
Anotace	Time-dependent fluorescence shift (TDFS) of Laurdan embedded in phospholipid bilayers reports on hydration and mobility of the phospholipid acylgroups. Exchange of H2O with D2O prolongs the lifetime of lipid-water and lipid-water-lipid interactions, which is reflected in a significantly slower TDFS kinetics. Combining TDFS measurements in H2O and D2O hydrated bilayers with atomistic molecular dynamics (MD) simulations provides a unique tool for characterization of the hydrogen bonding at the acylgroup level of lipid bilayers. In this work, we use this approach to study the influence of fluoride anions on the properties of cationic bilayers composed of trimethylammonium-propane (DOTAP). The results obtained for DOTAP are confronted with those for neutral phosphatidylcholine (DOPC) bilayers. Both in DOTAP and DOPC H2O/D2O exchange prolongs hydrogen-bonding lifetime and does not disturb bilayer structure. These results are confirmed by MD simulations. TDFS experiments show, however, that for DOTAP this effect is cancelled in the presence of fluoride ions. We interpret these results as evidence that strongly hydrated fluoride is able to steal water molecules that bridge lipid carbonyls. Consequently, when attracted to DOTAP bilayer, fluoride disrupts the local hydrogen-bonding network, and the differences in TDFS kinetics between H2O and D2O hydrated bilayers are no longer observed. A distinct behavior of fluoride is also evidenced by MD simulations, which show different lipid-ion binding for Cl− and F−.
Pracoviště	Ústav fyzikální chemie J.Heyrovského
Kontakt	Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
Rok sběru	2015

Počet záznamů: 1