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dc.contributor.author
Gonzalez Solveyra, Estefania
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dc.contributor.author
Thompson, David H.
dc.contributor.author
Szleifer, Igal
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dc.date.available
2023-05-03T11:12:02Z
dc.date.issued
2022-02
dc.identifier.citation
Gonzalez Solveyra, Estefania; Thompson, David H.; Szleifer, Igal; Proteins Adsorbing onto Surface-Modified Nanoparticles: Effect of Surface Curvature, pH, and the Interplay of Polymers and Proteins Acid–Base Equilibrium; MDPI; Polymers; 14; 4; 2-2022; 739-762
dc.identifier.issn
2073-4360
dc.identifier.uri
http://hdl.handle.net/11336/196043
dc.description.abstract
Protein adsorption onto nanomaterials is a process of vital significance and it is commonly controlled by functionalizing their surface with polymers. The efficiency of this strategy depends on the design parameters of the nanoconstruct. Although significant amount of work has been carried out on planar surfaces modified with different types of polymers, studies investigating the role of surface curvature are not as abundant. Here, we present a comprehensive and systematic study of the protein adsorption process, analyzing the effect of curvature and morphology, the grafting of polymer mixtures, the type of monomer (neutral, acidic, basic), the proteins in solution, and the conditions of the solution. The theoretical approach we employed is based on a molecular theory that allows to explicitly consider the acid–base reactions of the amino acids in the proteins and the monomers on the surface. The calculations showed that surface curvature modulates the molecular organization in space, but key variables are the bulk pH and salt concentration (in the millimolar range). When grafting the NP with acidic or basic polymers, the surface coating could disfavor or promote adsorption, depending on the solution’s conditions. When NPs are in contact with protein mixtures in solution, a nontrivial competitive adsorption process is observed. The calculations reflect the balance between molecular organization and chemical state of polymers and proteins, and how it is modulated by the curvature of the underlying surface.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
MDPI
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by/2.5/ar/
dc.subject
CHARGE REGULATION
dc.subject
CURVATURE
dc.subject
END-TETHERED POLYMERS
dc.subject
NANOPARTICLES
dc.subject
PROTEIN ADSORPTION
dc.subject
THEORETICAL METHODS
dc.subject.classification
Nano-materiales
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dc.subject.classification
Nanotecnología
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dc.subject.classification
INGENIERÍAS Y TECNOLOGÍAS
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dc.title
Proteins Adsorbing onto Surface-Modified Nanoparticles: Effect of Surface Curvature, pH, and the Interplay of Polymers and Proteins Acid–Base Equilibrium
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2023-05-02T11:48:23Z
dc.journal.volume
14
dc.journal.number
4
dc.journal.pagination
739-762
dc.journal.pais
Suiza
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dc.journal.ciudad
Basel
dc.description.fil
Fil: Gonzalez Solveyra, Estefania. Universidad Nacional de San Martin. Instituto de Nanosistemas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Thompson, David H.. Purdue University. Departament of Chemistry; Estados Unidos
dc.description.fil
Fil: Szleifer, Igal. Northwestern University; Estados Unidos
dc.journal.title
Polymers
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.3390/polym14040739
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