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PEG Equilibrium Partitioning in the α-Hemolysin Channel: Neutral Polymer Interaction with Channel Charges
dc.contributor.author | Aguilella-Arzo, Marcel | |
dc.contributor.author | Aguilella, Vicente | |
dc.date.accessioned | 2021-06-10T10:20:55Z | |
dc.date.available | 2021-06-10T10:20:55Z | |
dc.date.issued | 2021-02-08 | |
dc.identifier.citation | Aguilella-Arzo, M.; Aguilella, V. M. PEG Equilibrium Partitioning in the α-Hemolysin Channel: Neutral Polymer Interaction with Channel Charges. Biomacromolecules 2021 22 (2), 410-418, DOI: 10.1021/acs.biomac.0c01286 | ca_CA |
dc.identifier.issn | 1525-7797 | |
dc.identifier.issn | 1526-4602 | |
dc.identifier.uri | http://hdl.handle.net/10234/193381 | |
dc.description.abstract | We study the interaction of neutral polyethylene glycol (PEG) molecules of different molecular weights (MWs) with the charged residues of the α-hemolysin channel secreted by Staphylococcus aureus. Previously reported experiments of PEG equilibrium partitioning into this nanopore show that the charge state of the channel changes the ability of PEG entry in an MW-dependent manner. We explain such an effect by parameter-free calculations of the PEG self-energy from the channel 3D atomic structure that include repulsive dielectrophoretic and hydrostatic forces on the polymer. We found that the pH-induced shift in the measured free energy of partitioning ΔΔGexp from single-channel conductance measurements agrees with calculated energy changes ΔΔEcalc. Our results show that the PEG-sizing technique may need corrections in the case of charged biological pores. | ca_CA |
dc.format.extent | 9 p. | ca_CA |
dc.format.mimetype | application/pdf | ca_CA |
dc.language.iso | eng | ca_CA |
dc.publisher | American Chemical Society | ca_CA |
dc.relation | Estudio biofísico de los mecanismos de permeabilización de membranas inducidos por canales iónicos | ca_CA |
dc.relation.isPartOf | Biomacromolecules, 2021, vol. 22, no 2 | ca_CA |
dc.rights | Copyright © American Chemical Society | ca_CA |
dc.rights.uri | http://rightsstatements.org/vocab/InC/1.0/ | * |
dc.subject | free energy | ca_CA |
dc.subject | molecules | ca_CA |
dc.subject | energy | ca_CA |
dc.subject | chemical calculations | ca_CA |
dc.subject | polymers | ca_CA |
dc.title | PEG Equilibrium Partitioning in the α-Hemolysin Channel: Neutral Polymer Interaction with Channel Charges | ca_CA |
dc.type | info:eu-repo/semantics/article | ca_CA |
dc.identifier.doi | https://doi.org/10.1021/acs.biomac.0c01286 | |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca_CA |
dc.relation.publisherVersion | https://pubs.acs.org/doi/abs/10.1021/acs.biomac.0c01286 | ca_CA |
dc.type.version | info:eu-repo/semantics/submittedVersion | ca_CA |
project.funder.identifier | http://dx.doi.org/10.13039/501100011033 | ca_CA |
project.funder.name | Agencia Estatal de Investigación | ca_CA |
project.funder.name | Universitat Jaume I | ca_CA |
oaire.awardNumber | MICIU/ICTI2017-2020/PID2019-108434GB-I00 | ca_CA |
oaire.awardNumber | UJI-B2018-53 | ca_CA |
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