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dc.contributor.author
Gama Goicochea, A.
dc.contributor.author
Mayoral, E.
dc.contributor.author
Klapp, J.
dc.contributor.author
Pastorino, Claudio
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dc.date.available
2017-09-29T20:37:38Z
dc.date.issued
2013-10
dc.identifier.citation
Gama Goicochea, A.; Mayoral, E.; Klapp, J.; Pastorino, Claudio; Nanotribology of biopolymer brushes in aqueous solution using dissipative particle dynamics simulations: an application to PEG covered liposomes in a theta solvent; Royal Society of Chemistry; Soft Matter; 10; 10-2013; 166-174
dc.identifier.issn
1744-683X
dc.identifier.uri
http://hdl.handle.net/11336/25505
dc.description.abstract
We undertake the investigation of sheared polymer chains grafted onto flat surfaces to model liposomes covered with polyethylene glycol brushes as a case study for the mechanisms of efficient drug delivery in biologically relevant situations, for example, as carriers for topical treatments of illnesses in the human vasculature. For these applications, specific rheological properties are required, such as low viscosity at high shear rates, to improve the transport of the liposomes. Therefore, extensive non-equilibrium, coarse-grained dissipative particle dynamics simulations of polymer brushes of various lengths and shear rates are performed to obtain the average viscosity and the friction coefficient of the system as functions of the shear rate and polymerization degree under theta-solvent conditions, and we find that the brushes experience considerable shear thinning at large shear rates. The viscosity (η) and the friction coefficient (μ) are shown to obey the scaling laws η ∼[small gamma, Greek, dot above]−0.31 and μ ∼ [small gamma, Greek, dot above]0.69 at high shear rates ([small gamma, Greek, dot above]) in a theta solvent, irrespective of the degree of polymerization of brushes. These results confirm recent scaling predictions and reproduce very well trends in measurements of the viscosity at a high shear rate ([small gamma, Greek, dot above]) of red blood cells in a liposome containing medium.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Royal Society of Chemistry
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Polymer Brushes
dc.subject
Soft Matter
dc.subject
Molecular Dynamics
dc.subject.classification
Otras Ciencias Físicas
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dc.subject.classification
Ciencias Físicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Nanotribology of biopolymer brushes in aqueous solution using dissipative particle dynamics simulations: an application to PEG covered liposomes in a theta solvent
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2017-09-28T18:12:06Z
dc.journal.volume
10
dc.journal.pagination
166-174
dc.journal.pais
Reino Unido
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dc.journal.ciudad
Cambridge
dc.description.fil
Fil: Gama Goicochea, A.. Instituto Nacional de Investigaciones Nucleares; México
dc.description.fil
Fil: Mayoral, E.. Instituto Nacional de Investigaciones Nucleares; México
dc.description.fil
Fil: Klapp, J.. Instituto Nacional de Investigaciones Nucleares; México. Instituto Politécnico Nacional. Centro de Investigación y de Estudios Avanzados; México
dc.description.fil
Fil: Pastorino, Claudio. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes. Departamento de Física; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.journal.title
Soft Matter
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1039/C3SM52486H
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.rsc.org/en/Content/ArticleHtml/2014/SM/c3sm52486h
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://arxiv.org/abs/1309.3637
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