ArticleChemical science2021
A molecular twist on hydrophobicity.
Article in Chemical science, 2021. 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.
- Hydrophobicity Study of Melamine, 1,3,5-Benzenetricarbonitrile, and 1,3,5-Triaminobenzene.ACS omega · 2026Article
- Application of Recurrence Plot Analysis to Examine Dynamics of Biological Molecules on the Example of Aggregation of Seed Mucilage Components.Entropy (Basel, Switzerland) · 2024Article
- Free-energy decomposition of salt effects on the solubilities of small molecules and the role of excluded-volume effects.Chemical science · 2024Article
- Local solvation structures govern the mixing thermodynamics of glycerol-water solutions.Chemical science · 2023Article
- A Theoretical Analysis of Interaction Energies and Intermolecular Interactions between Amphotericin B and Potential Bioconjugates Used in the Modification of Nanocarriers for Drug Delivery.Molecules (Basel, Switzerland) · 2023Article
- Structural features of interfacial water predict the hydrophobicity of chemically heterogeneous surfaces.Chemical science · 2023Article
- Dissecting Bonding Interactions in Cysteine Dimers.Molecules (Basel, Switzerland) · 2022Article
- Formation and evolution of C-C, C-O, C[double bond, length as m-dash]O and C-N bonds in chemical reactions of prebiotic interest.RSC advances · 2022Article
- Analysis of Conformational Preferences in Caffeine.Molecules (Basel, Switzerland) · 2022Article
- Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman.Molecules (Basel, Switzerland) · 2022Article
- An empirical model for solvation based on surface site interaction points.Chemical science · 2021Article
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Authors and funding
6 authors.
Funding
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Abstract
A thorough exploration of the molecular basis for hydrophobicity with a comprehensive set of theoretical tools and an extensive set of organic solvent S/water binary systems is discussed in this work. Without a single exception, regardless of the nature or structure of S, all quantum descriptors of bonding yield stabilizing S⋯water interactions, therefore, there is no evidence of repulsion and thus no reason for etymological hydrophobicity at the molecular level. Our results provide molecular insight behind the exclusion of S molecules by water, customarily invoked to explain phase separation and the formation of interfaces, in favor of a complex interplay between entropic, enthalpic, and dynamic factors. S⋯water interfaces are not just thin films separating the two phases; instead, they are non-isotropic regions with density gradients for each component whose macroscopic stability is provided by a large number of very weak dihydrogen contacts. We offer a definition of interface as the region in which the density of the components in the A/B binary system is not constant. At a fundamental level, our results contribute to better current understanding of hydrophobicity.
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