Routes for nanoparticle translocation through polymer-brush-modified nanopores
This work presents a theoretical study of the translocation routes of nanoparticles through polymer-brush modified nanopores. The calculations were performed with a molecular theory that explicitly accounts for the shape, size, conformations and interactions of all molecular species in the system. T...
Guardado en:
| Publicado: |
2018
|
|---|---|
| Materias: | |
| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09538984_v30_n27_p_Tagliazucchi http://hdl.handle.net/20.500.12110/paper_09538984_v30_n27_p_Tagliazucchi |
| Aporte de: |
| id |
paper:paper_09538984_v30_n27_p_Tagliazucchi |
|---|---|
| record_format |
dspace |
| spelling |
paper:paper_09538984_v30_n27_p_Tagliazucchi2023-06-08T15:55:40Z Routes for nanoparticle translocation through polymer-brush-modified nanopores polymer-brush modified nanopores potential of mean force translocation Dendrimers Free energy Nanoparticles Particle size Plasma interactions Free energy landscape Minimum free energies Molecular species Polymer brushes Polymer particles Potential of mean force Theoretical study translocation Nanopores This work presents a theoretical study of the translocation routes of nanoparticles through polymer-brush modified nanopores. The calculations were performed with a molecular theory that explicitly accounts for the shape, size, conformations and interactions of all molecular species in the system. This work reports molecular-theory calculations allowing inhomogeneities in the three spatial dimensions, which allows us to study for the first time off-axis translocation routes, i.e. routes that do not coincide with the axis of the pore. Free-energy landscapes within the pore were obtained for particles of different sizes and affinity for the polymer brush. The minimum free-energy paths on these landscapes determine the translocation routes. Decreasing the size of the particle or increasing its affinity for the polymer, shifts the translocation route from the central axis of the pore towards its walls. Interestingly, for a given polymer-particle affinity, there exists an intermediate particle size that results in the most flat potential of mean force for translocation, therefore, that will optimize the rate of translocation. © 2018 IOP Publishing Ltd. 2018 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09538984_v30_n27_p_Tagliazucchi http://hdl.handle.net/20.500.12110/paper_09538984_v30_n27_p_Tagliazucchi |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
polymer-brush modified nanopores potential of mean force translocation Dendrimers Free energy Nanoparticles Particle size Plasma interactions Free energy landscape Minimum free energies Molecular species Polymer brushes Polymer particles Potential of mean force Theoretical study translocation Nanopores |
| spellingShingle |
polymer-brush modified nanopores potential of mean force translocation Dendrimers Free energy Nanoparticles Particle size Plasma interactions Free energy landscape Minimum free energies Molecular species Polymer brushes Polymer particles Potential of mean force Theoretical study translocation Nanopores Routes for nanoparticle translocation through polymer-brush-modified nanopores |
| topic_facet |
polymer-brush modified nanopores potential of mean force translocation Dendrimers Free energy Nanoparticles Particle size Plasma interactions Free energy landscape Minimum free energies Molecular species Polymer brushes Polymer particles Potential of mean force Theoretical study translocation Nanopores |
| description |
This work presents a theoretical study of the translocation routes of nanoparticles through polymer-brush modified nanopores. The calculations were performed with a molecular theory that explicitly accounts for the shape, size, conformations and interactions of all molecular species in the system. This work reports molecular-theory calculations allowing inhomogeneities in the three spatial dimensions, which allows us to study for the first time off-axis translocation routes, i.e. routes that do not coincide with the axis of the pore. Free-energy landscapes within the pore were obtained for particles of different sizes and affinity for the polymer brush. The minimum free-energy paths on these landscapes determine the translocation routes. Decreasing the size of the particle or increasing its affinity for the polymer, shifts the translocation route from the central axis of the pore towards its walls. Interestingly, for a given polymer-particle affinity, there exists an intermediate particle size that results in the most flat potential of mean force for translocation, therefore, that will optimize the rate of translocation. © 2018 IOP Publishing Ltd. |
| title |
Routes for nanoparticle translocation through polymer-brush-modified nanopores |
| title_short |
Routes for nanoparticle translocation through polymer-brush-modified nanopores |
| title_full |
Routes for nanoparticle translocation through polymer-brush-modified nanopores |
| title_fullStr |
Routes for nanoparticle translocation through polymer-brush-modified nanopores |
| title_full_unstemmed |
Routes for nanoparticle translocation through polymer-brush-modified nanopores |
| title_sort |
routes for nanoparticle translocation through polymer-brush-modified nanopores |
| publishDate |
2018 |
| url |
https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_09538984_v30_n27_p_Tagliazucchi http://hdl.handle.net/20.500.12110/paper_09538984_v30_n27_p_Tagliazucchi |
| _version_ |
1768543093056864256 |