ArticleThe Journal of chemical physics2014
Excluded volume and ion-ion correlation effects on the ionic atmosphere around B-DNA: theory, simulations, and experiments.
Article in The Journal of chemical physics, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
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Who cites it
11 citing papers in PubMed, 29 citations in OpenAlex.
- Java application for cytoskeleton filament characterization (JACFC).Software impacts · 2021Article
- Size and charge correlations in spherical electric double layers: a case study with fully asymmetric mixed electrolytes within the solvent primitive model.RSC advances · 2020Article
- The Self-Adaptation Ability of Zinc Oxide Nanoparticles Enables Reliable Cancer Treatments.Nanomaterials (Basel, Switzerland) · 2020Article
- A Java Application to Characterize Biomolecules and Nanomaterials in Electrolyte Aqueous Solutions.Computer physics communications · 2019Article
- Predicting Monovalent Ion Correlation Effects in Nucleic Acids.ACS omega · 2019Article
- A multi-scale approach to describe electrical impulses propagating along actin filaments in both intracellular and in vitro conditions.RSC advances · 2018Article
- Electrical double layer properties of spherical oxide nanoparticles.Physical chemistry chemical physics : PCCP · 2017Article
- Polar-solvation classical density-functional theory for electrolyte aqueous solutions near a wall.Physical review. E · 2016Article
- The Role of Correlation and Solvation in Ion Interactions with B-DNA.Biophysical journal · 2016Article
- Ion-ion correlation, solvent excluded volume and pH effects on physicochemical properties of spherical oxide nanoparticles.Journal of colloid and interface science · 2016Article
- Multivalent ion-mediated nucleic acid helix-helix interactions: RNA versus DNA.Nucleic acids research · 2015Article
Corrections and comments
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Authors and funding
6 authors at 4 institutions in 2 countries.
Funding
Abstract
The ionic atmosphere around a nucleic acid regulates its stability in aqueous salt solutions. One major source of complexity in biological activities involving nucleic acids arises from the strong influence of the surrounding ions and water molecules on their structural and thermodynamic properties. Here, we implement a classical density functional theory for cylindrical polyelectrolytes embedded in aqueous electrolytes containing explicit (neutral hard sphere) water molecules at experimental solvent concentrations. Our approach allows us to include ion correlations as well as solvent and ion excluded volume effects for studying the structural and thermodynamic properties of highly charged cylindrical polyelectrolytes. Several models of size and charge asymmetric mixtures of aqueous electrolytes at physiological concentrations are studied. Our results are in good agreement with Monte Carlo simulations. Our numerical calculations display significant differences in the ion density profiles for the different aqueous electrolyte models studied. However, similar results regarding the excess number of ions adsorbed to the B-DNA molecule are predicted by our theoretical approach for different aqueous electrolyte models. These findings suggest that ion counting experimental data should not be used alone to validate the performance of aqueous DNA-electrolyte models.
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