ArticleThe journal of physical chemistry. B2013
Spherical monovalent ions at aqueous liquid-vapor interfaces: interfacial stability and induced interface fluctuations.
Article in The journal of physical chemistry. B, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed, 31 citations in OpenAlex.
- Iodide oxidation by ozone at the surface of aqueous microdroplets.Chemical science · 2024Article
- Interaction Energy Analysis of Monovalent Inorganic Anions in Bulk Water Versus Air/Water Interface.Molecules (Basel, Switzerland) · 2021Article
- Assessing long-range contributions to the charge asymmetry of ion adsorption at the air-water interface.Chemical science · 2020Article
- Orientation of Methylguanidinium Ions at the Water-Air Interface.The journal of physical chemistry. C, Nanomaterials and interfaces · 2017Article
- Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations.Journal of computational chemistry · 2015Article
- Protein denaturants at aqueous-hydrophobic interfaces: self-consistent correlation between induced interfacial fluctuations and denaturant stability at the interface.The journal of physical chemistry. B · 2015Article
- Association of alkanes with the aqueous liquid-vapor interface: a reference system for interpreting hydrophobicity generally through interfacial fluctuations.Physical chemistry chemical physics : PCCP · 2014Article
- Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.The journal of physical chemistry. B · 2014Article
- Ion-specific induced fluctuations and free energetics of aqueous protein hydrophobic interfaces: toward connecting to specific-ion behaviors at aqueous liquid-vapor interfaces.The journal of physical chemistry. B · 2014Article
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4 authors at 1 institution in 1 country.
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Abstract
Ion-specific interfacial behaviors of monovalent halides impact processes such as protein denaturation, interfacial stability, and surface tension modulation, and as such, their molecular and thermodynamic underpinnings garner much attention. We use molecular dynamics simulations of monovalent anions in water to explore effects on distant interfaces. We observe long-ranged ion-induced perturbations of the aqueous environment, as suggested by experiment and theory. Surface stable ions, characterized as such by minima in potentials of mean force computed using umbrella sampling MD simulations, induce larger interfacial fluctuations compared to nonsurface active species, conferring more entropy approaching the interface. Smaller anions and cations show no interfacial potential of mean force minima. The difference is traced to hydration shell properties of the anions, and the coupling of these shells with distant solvent. The effects correlate with the positions of the anions in the Hofmeister series (acknowledging variations in force field ability to recapitulate essential underlying physics), suggesting how differences in induced, nonlocal perturbations of interfaces may be related to different specific-ion effects in dilute biophysical and nanomaterial systems.
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