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Behavior of pyrene as a polarity probe in palmitoylsphingomyelin and palmitoylsphingomyelin/cholesterol bilayers: A molecular dynamics simulation study

2015-09Journal article Open Access
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dc.contributor.authordo Canto, António M. T. M.
dc.contributor.authorSantos, Patrícia D.
dc.contributor.authorMartins, Jorge
dc.contributor.authorLoura, Luís M. S.
dc.date.accessioned2018-12-07T14:58:18Z
dc.date.available2018-12-07T14:58:18Z
dc.date.issued2015-09
dc.description.abstractPyrene is a polycyclic aromatic hydrocarbon noted for its remarkable optical spectroscopic properties. Among its uses as a fluorescent probe, measurement of lipid bilayer's equivalent polarity through the pyrene Ham effect stands out. To this effect, the ratio of the intensities of the first and third vibronic bands (I-1/I-3) in its emission spectrum of pyrene is measured. However, issues concerning the precise location of bilayer-inserted pyrene and the possibility of probe-induced perturbation of host bilayer properties are potential sources of concern in this regard. Atomistic molecular dynamics simulations constitute a useful method for the characterization of lipid membrane systems, and, in particular, to understand the behavior of fluorescence probes upon incorporation in lipid bilayers. In this report, we present a detailed characterization of the behavior of pyrene in fluid N-palmitoylsphingomyelin (PSM) and PSM/cholesterol membranes, with emphasis on the degree of proximity between the probe and water molecules inside bilayers, related to the use of pyrene to measure equivalent lipid bilayer polarity. It is concluded that pyrene exerts minor effects on bilayer properties, with slight local disordering being apparent for high cholesterol content. Whereas rotation and lateral diffusion of pyrene are greatly slowed in cholesterol rich systems, its relative transverse location is not significantly affected. While hydration of PSM bilayers, as sensed by pyrene, is already low compared to that of fluid phosphatidylcholine, it becomes even smaller for high cholesterol mole fraction at the studied temperature. (C) 2014 Elsevier B.V. All rights reserved.
dc.description.sponsorshipFCOMP-01-0124-FEDER-010787
dc.identifier.doihttps://doi.org/10.1016/j.colsurfa.2014.12.012
dc.identifier.issn0927-7757
dc.identifier.issn1873-4359
dc.identifier.urihttp://hdl.handle.net/10400.1/11952
dc.language.isoeng
dc.peerreviewedyes
dc.publisherElsevier
dc.relationFluorescent membrane probes behaviour in lipid bilayers: combining theory and experiment
dc.subjectPhospholipid-bilayers
dc.subjectSphingomyelin bilayers
dc.subjectBiological-membranes
dc.subjectSolvent polarities
dc.subjectWater-penetration
dc.subjectLipid rafts
dc.subjectPy scale
dc.subjectCholesterol
dc.subjectFluorescence
dc.subjectMixtures
dc.titleBehavior of pyrene as a polarity probe in palmitoylsphingomyelin and palmitoylsphingomyelin/cholesterol bilayers: A molecular dynamics simulation study
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleFluorescent membrane probes behaviour in lipid bilayers: combining theory and experiment
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876-PPCDTI/PTDC%2FQUI-QUI%2F098198%2F2008/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/5876/PEst-OE%2FQUI%2FUI0313%2F2014/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/PEst-OE%2FEQB%2FLA0023%2F2013/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/PTDC%2FQUI-BIQ%2F112943%2F2009/PT
oaire.citation.endPage306
oaire.citation.startPage296
oaire.citation.titleColloids and Surfaces A-Physicochemical and Engineering Aspects
oaire.citation.volume480
oaire.fundingStream5876-PPCDTI
oaire.fundingStream5876
oaire.fundingStream3599-PPCDT
oaire.fundingStream3599-PPCDT
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccess
rcaap.typearticle
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