Origin of the inverse temperature dependence of hydrophobic attraction
Using enhanced sampling techniques, we have precisely characterized the water-mediated interactions between nanometer-sized spherical hydrophobic solutes. The interaction potential is captured with remarkable accuracy by a tailored morphometric theory that distills and integrates essential physical...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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American Physical Society
2025-06-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/66lz-1yw9 |
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| _version_ | 1849710643489275904 |
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| author | Nigel B. Wilding Francesco Turci |
| author_facet | Nigel B. Wilding Francesco Turci |
| author_sort | Nigel B. Wilding |
| collection | DOAJ |
| description | Using enhanced sampling techniques, we have precisely characterized the water-mediated interactions between nanometer-sized spherical hydrophobic solutes. The interaction potential is captured with remarkable accuracy by a tailored morphometric theory that distills and integrates essential physical properties of the solvation shell. Notably, our simulations successfully replicate a previously poorly understood phenomenon: the anomalous strengthening of hydrophobic attraction with rising temperature. Our theory pinpoints the origin of this “inverse temperature” effect in the rapid thermal expansion of the solvation shell, a process driven by a critical drying transition. Intriguingly, this effect becomes increasingly pronounced with stronger solute-water van der Waals attraction, i.e., decreasing hydrophobicity—a subtle yet significant feature accounted for by our theory. |
| format | Article |
| id | doaj-art-b1f048722b38458ebdcc1998a5804de6 |
| institution | DOAJ |
| issn | 2643-1564 |
| language | English |
| publishDate | 2025-06-01 |
| publisher | American Physical Society |
| record_format | Article |
| series | Physical Review Research |
| spelling | doaj-art-b1f048722b38458ebdcc1998a5804de62025-08-20T03:14:50ZengAmerican Physical SocietyPhysical Review Research2643-15642025-06-0172L02207910.1103/66lz-1yw9Origin of the inverse temperature dependence of hydrophobic attractionNigel B. WildingFrancesco TurciUsing enhanced sampling techniques, we have precisely characterized the water-mediated interactions between nanometer-sized spherical hydrophobic solutes. The interaction potential is captured with remarkable accuracy by a tailored morphometric theory that distills and integrates essential physical properties of the solvation shell. Notably, our simulations successfully replicate a previously poorly understood phenomenon: the anomalous strengthening of hydrophobic attraction with rising temperature. Our theory pinpoints the origin of this “inverse temperature” effect in the rapid thermal expansion of the solvation shell, a process driven by a critical drying transition. Intriguingly, this effect becomes increasingly pronounced with stronger solute-water van der Waals attraction, i.e., decreasing hydrophobicity—a subtle yet significant feature accounted for by our theory.http://doi.org/10.1103/66lz-1yw9 |
| spellingShingle | Nigel B. Wilding Francesco Turci Origin of the inverse temperature dependence of hydrophobic attraction Physical Review Research |
| title | Origin of the inverse temperature dependence of hydrophobic attraction |
| title_full | Origin of the inverse temperature dependence of hydrophobic attraction |
| title_fullStr | Origin of the inverse temperature dependence of hydrophobic attraction |
| title_full_unstemmed | Origin of the inverse temperature dependence of hydrophobic attraction |
| title_short | Origin of the inverse temperature dependence of hydrophobic attraction |
| title_sort | origin of the inverse temperature dependence of hydrophobic attraction |
| url | http://doi.org/10.1103/66lz-1yw9 |
| work_keys_str_mv | AT nigelbwilding originoftheinversetemperaturedependenceofhydrophobicattraction AT francescoturci originoftheinversetemperaturedependenceofhydrophobicattraction |