ArticleJournal of the American Chemical Society2013
Theory of polymer-nanopore interactions refined using molecular dynamics simulations.
Article in Journal of the American Chemical Society, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.
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Who cites it
29 citing papers in PubMed, 71 citations in OpenAlex.
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- Charge symmetry breaking in neutral polyzwitterions.Nature communications · 2025Article
- Narrowing Signal Distribution by Adamantane Derivatization for Amino Acid Identification Using an α-Hemolysin Nanopore.Nano letters · 2024Article
- Seeing the Invisibles: Detection of Peptide Enantiomers, Diastereomers, and Isobaric Ring Formation in Lanthipeptides Using Nanopores.Journal of the American Chemical Society · 2023Article
- Targeting oncogenic KRAS with molecular brush-conjugated antisense oligonucleotides.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Quantification of Protein Glycosylation Using Nanopores.Nano letters · 2022Article
- Nanopore sensing: A physical-chemical approach.Biochimica et biophysica acta. Biomembranes · 2021Review
- Laser-based temperature control to study the roles of entropy and enthalpy in polymer-nanopore interactions.Science advances · 2021Article
- Separation of Scandium from Hydrochloric Acid-Ethanol Leachate of Bauxite Residue by a Supported Ionic Liquid Phase.Industrial & engineering chemistry research · 2020Article
- Macromolecular Crowding Enhances the Detection of DNA and Proteins by a Solid-State Nanopore.Nano letters · 2020Article
- A comparison of ion channel current blockades caused by individual poly(ethylene glycol) molecules and polyoxometalate nanoclusters.The European physical journal. E, Soft matter · 2019Article
- Bottlebrush-architectured poly(ethylene glycol) as an efficient vector for RNA interference in vivo.Science advances · 2019Article
- The Role of Lipid Interactions in Simulations of the α-Hemolysin Ion-Channel-Forming Toxin.Biophysical journal · 2018Article
- Size-dependent interaction of a 3-arm star poly(ethylene glycol) with two biological nanopores.The European physical journal. E, Soft matter · 2018Article
- Conic shapes have higher sensitivity than cylindrical ones in nanopore DNA sequencing.Scientific reports · 2018Article
- Precision Tuning of DNA- and Poly(ethylene glycol)-Based Nanoparticles via Coassembly for Effective Antisense Gene Regulation.Chemistry of materials : a publication of the American Chemical Society · 2017Article
- Single Molecule Nanopore Spectrometry for Peptide Detection.ACS sensors · 2017Article
- Construction of an aerolysin nanopore in a lipid bilayer for single-oligonucleotide analysis.Nature protocols · 2017Article
- Polymer translocation through nano-pores in vibrating thin membranes.Scientific reports · 2016Article
- High Temperature Extends the Range of Size Discrimination of Nonionic Polymers by a Biological Nanopore.Scientific reports · 2016Article
Corrections and comments
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Authors and funding
5 authors at 4 institutions in 1 country.
Funding
Abstract
Molecular dynamics simulations were used to refine a theoretical model that describes the interaction of single polyethylene glycol (PEG) molecules with α-hemolysin (αHL) nanopores. The simulations support the underlying assumptions of the model, that PEG decreases the pore conductance by binding cations (which reduces the number of mobile ions in the pore) and by volume exclusion, and provide bounds for fits to new experimental data. Estimation of cation binding indicates that four monomers coordinate a single K(+) in a crown-ether-like structure, with, on average, 1.5 cations bound to a PEG 29-mer at a bulk electrolyte concentration of 4 M KCl. Additionally, PEG is more cylindrical and has a larger cross-section area in the pore than in solution, although its volume is similar. Two key experimental quantities of PEG are described by the model: the ratio of single channel current in the presence of PEG to that in the polymer's absence (blockade depth) and the mean residence time of PEG in the pore. The refined theoretical model is simultaneously fit to the experimentally determined current blockade depth and the mean residence times for PEGs with 15 to 45 monomers, at applied transmembrane potentials of -40 to -80 mV and for three electrolyte concentrations. The model estimates the free energy of the PEG-cation complexes to be -5.3 kBT. Finally the entropic penalty of confining PEG to the pore is found to be inversely proportional to the electrolyte concentration.
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