ArticleThe journal of physical chemistry. B2021
Revealing the Frank-Evans "Iceberg" Structures within the Solvation Layer around Hydrophobic Solutes.
Article in The journal of physical chemistry. B, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Structure of Water in the First Hydration Shell of the Highly Hydrophobic Anthracene.The journal of physical chemistry. A · 2026Article
- Structure making and breaking in electrolyte solutions explained by water energetics.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Why Solvent Response Contributions to Solvation Free Energies Are Compatible with Ben-Naim's Theorem.Journal of chemical theory and computation · 2023Article
- Contrasting Changes in Strongly and Weakly Bound Hydration Water of a Protein upon Denaturation.The journal of physical chemistry. B · 2023Article
- Isotope effects observed in diluted DScientific reports · 2022Article
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Authors and funding
3 authors.
Funding
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Abstract
Using computer simulations, the structural properties of solvation water of three model hydrophobic molecules, methane and two fullerenes (C60 and C80), were studied. Systems were simulated at temperatures in the range of 250-298 K. By analyzing both the local ordering of the molecules of water in the solvation layers and the structure of hydrogen bond network, it is shown that in the solvation layer of hydrophobic molecules, ordered aggregates consisting of water molecules are formed. Even though it is difficult to define the exact structure of these aggregates, their existence alone is clearly noticeable. Moreover, these aggregates become more pronounced with the decrease of temperature. The existence of the ordered aggregates around the hydrophobic solutes complies with the concept of "icebergs" proposed by Frank and Evans.
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Registered trials
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