Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion

Background: Understanding the effects of graphene-based nanomaterials on lipid membranes is critical to determine their environmental impact and their efficiency in the biomedical context. Graphene has been reported to favourably interact with biological and model lipid membranes. Methods: We report...

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Detalles Bibliográficos
Autores: Santiago Piera, Raul, Reigada Sanz, Ramon
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2019
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/128907
Acceso en línea:https://hdl.handle.net/2445/128907
Access Level:acceso abierto
Palabra clave:Grafè
Liposomes
Fusió membranària
Simulació per ordinador
Graphene
Membrane fusion
Computer simulation
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spelling Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusionSantiago Piera, RaulReigada Sanz, RamonGrafèLiposomesFusió membranàriaSimulació per ordinadorGrapheneLiposomesMembrane fusionComputer simulationBackground: Understanding the effects of graphene-based nanomaterials on lipid membranes is critical to determine their environmental impact and their efficiency in the biomedical context. Graphene has been reported to favourably interact with biological and model lipid membranes. Methods: We report on a systematic coarse-grained molecular dynamics study of the interaction modes of graphene nanometric flakes with POPC/cholesterol liposome membranes. We have simulated graphene layers with a variety of sizes and oxidation degrees, and we have analyzed the trajectories, the interaction modes, and the energetics of the observed phenomena.Results:Three interaction modes are reported. Graphene can be transiently adsorbed onto the liposome membrane and/or inserted in its hydrophobic region. Inserted nanosheets prefer a perpendicular orientation, and tilt in order to maximize the contact with phospholipid tails while avoiding the contact with cholesterol molecules.When placed between two liposomes, graphene facilitates their fusion in a single vesicle. Conclusions: Graphene can be temporary adsorbed on the liposome before insertion. Bilayer curvature has an influence on the orientation of inserted graphene particles. Cholesterol molecules are depleted from the surrounding of graphene particles. Graphene layers may catalyse membrane fusion by bypassing the energy barrier required in stalk formation. General significance: Nanometric graphene layers can be adsorbed/inserted in lipid-based membranes in different manners and affect the cholesterol distribution in the membrane, implying important consequences on the structure and functionality of biological cell membranes, and on the bioaccumulation of graphene in living organisms. The graphene-mediated mechanism opens new possibilities for vesicle fusion in the experimental context.Elsevier B.V.2019info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://hdl.handle.net/2445/128907Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésVersió postprint del document publicat a: https://doi.org/10.1016/j.bbagen.2019.01.018Biochimica et Biophysica Acta-General Subjects, 2019, vol. 1863, num. 4, p. 723-731https://doi.org/10.1016/j.bbagen.2019.01.018cc-by-nc-nd (c) Elsevier B.V., 2019http://creativecommons.org/licenses/by-nc-nd/3.0/esinfo:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1289072026-05-27T06:46:51Z
dc.title.none.fl_str_mv Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion
title Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion
spellingShingle Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion
Santiago Piera, Raul
Grafè
Liposomes
Fusió membranària
Simulació per ordinador
Graphene
Liposomes
Membrane fusion
Computer simulation
title_short Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion
title_full Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion
title_fullStr Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion
title_full_unstemmed Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion
title_sort Interaction modes between nanosized grapheneflakes and liposomes: adsorption, insertion and membrane fusion
dc.creator.none.fl_str_mv Santiago Piera, Raul
Reigada Sanz, Ramon
author Santiago Piera, Raul
author_facet Santiago Piera, Raul
Reigada Sanz, Ramon
author_role author
author2 Reigada Sanz, Ramon
author2_role author
dc.subject.none.fl_str_mv Grafè
Liposomes
Fusió membranària
Simulació per ordinador
Graphene
Liposomes
Membrane fusion
Computer simulation
topic Grafè
Liposomes
Fusió membranària
Simulació per ordinador
Graphene
Liposomes
Membrane fusion
Computer simulation
description Background: Understanding the effects of graphene-based nanomaterials on lipid membranes is critical to determine their environmental impact and their efficiency in the biomedical context. Graphene has been reported to favourably interact with biological and model lipid membranes. Methods: We report on a systematic coarse-grained molecular dynamics study of the interaction modes of graphene nanometric flakes with POPC/cholesterol liposome membranes. We have simulated graphene layers with a variety of sizes and oxidation degrees, and we have analyzed the trajectories, the interaction modes, and the energetics of the observed phenomena.Results:Three interaction modes are reported. Graphene can be transiently adsorbed onto the liposome membrane and/or inserted in its hydrophobic region. Inserted nanosheets prefer a perpendicular orientation, and tilt in order to maximize the contact with phospholipid tails while avoiding the contact with cholesterol molecules.When placed between two liposomes, graphene facilitates their fusion in a single vesicle. Conclusions: Graphene can be temporary adsorbed on the liposome before insertion. Bilayer curvature has an influence on the orientation of inserted graphene particles. Cholesterol molecules are depleted from the surrounding of graphene particles. Graphene layers may catalyse membrane fusion by bypassing the energy barrier required in stalk formation. General significance: Nanometric graphene layers can be adsorbed/inserted in lipid-based membranes in different manners and affect the cholesterol distribution in the membrane, implying important consequences on the structure and functionality of biological cell membranes, and on the bioaccumulation of graphene in living organisms. The graphene-mediated mechanism opens new possibilities for vesicle fusion in the experimental context.
publishDate 2019
dc.date.none.fl_str_mv 2019
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/128907
url https://hdl.handle.net/2445/128907
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Versió postprint del document publicat a: https://doi.org/10.1016/j.bbagen.2019.01.018
Biochimica et Biophysica Acta-General Subjects, 2019, vol. 1863, num. 4, p. 723-731
https://doi.org/10.1016/j.bbagen.2019.01.018
dc.rights.none.fl_str_mv cc-by-nc-nd (c) Elsevier B.V., 2019
http://creativecommons.org/licenses/by-nc-nd/3.0/es
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by-nc-nd (c) Elsevier B.V., 2019
http://creativecommons.org/licenses/by-nc-nd/3.0/es
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier B.V.
publisher.none.fl_str_mv Elsevier B.V.
dc.source.none.fl_str_mv Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,300719

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