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dc.contributor.author
Rosetti, Carla Mariana  
dc.contributor.author
Pastorino, Claudio  
dc.date.available
2024-06-14T13:08:27Z  
dc.date.issued
2010-12  
dc.identifier.citation
Rosetti, Carla Mariana; Pastorino, Claudio; Polyunsaturated and saturated phospholipids in mixed bilayers: a study from the molecular scale to the lateral lipid organization; American Chemical Society; Journal of Physical Chemistry B; 115; 5; 12-2010; 1002-1013  
dc.identifier.issn
1520-6106  
dc.identifier.uri
http://hdl.handle.net/11336/238140  
dc.description.abstract
Polyunsaturated lipids are remarkably flexible molecules, with a great influence on the membrane structure and dynamics, affecting from mechanical properties to domain segregation. In this work, we studied phospholipid mixtures of dipalmitoylphosphatidylcholine (DPPC) and diunsaturated phosphatidylcholine lipids (diunsPC) of different lengths, by means of molecular dynamic simulations of a coarse-grained interaction model. These diunsPC:DPPC binary mixtures show nonideal behavior characterized by one mixed phase with composition fluctuations on a length scale of nanometers. Motivated by this observation, we studied comprehensively the characteristics of molecular structure as a function of the compositional gradient. We analyzed orientational order profiles, density distributions, and pair−pair correlation functions between the molecule residues. We observed that, in diunsPC-enriched regions, DPPC tails become expanded and disordered, especially toward the membrane center. On the other hand, in the more condensed DPPC-enriched patches, diunsaturated acyl chains become displaced toward the interface instead of stretching along the membrane normal. From the comparison of the two diunsPC lipids of different tail length, we measured that the presence of a longer terminal saturated segment induces better mixing with DPPC, and most interestingly eliminates the up−down composition correlation measured with the shorter tail-diunsPC. At molecular level, there is a reduced redistribution of densities and changes in the local order as a function of composition. We interpret these results as indicative that the packing incompatibility between polyunsaturated and saturated lipids rules their mixing behavior.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Chemical Society  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
MOLECULAR DYNAMICS  
dc.subject
COARSE GRAIN MODELS  
dc.subject
BINARY MIXTURES  
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POLYUNSATURATED PHOSPHOLIPIDS  
dc.subject
NANOSCOPIC DOMAINS  
dc.subject.classification
Físico-Química, Ciencia de los Polímeros, Electroquímica  
dc.subject.classification
Ciencias Químicas  
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS  
dc.title
Polyunsaturated and saturated phospholipids in mixed bilayers: a study from the molecular scale to the lateral lipid organization  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2024-05-31T11:22:03Z  
dc.journal.volume
115  
dc.journal.number
5  
dc.journal.pagination
1002-1013  
dc.journal.pais
Estados Unidos  
dc.description.fil
Fil: Rosetti, Carla Mariana. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina  
dc.description.fil
Fil: Pastorino, Claudio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina  
dc.journal.title
Journal of Physical Chemistry B  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jp1082888  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/jp1082888