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Water-Mediated Hydrophobic Interactions
被引:158
作者:
Ben-Amotz, Dor
[1
]
机构:
[1] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA
来源:
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67
|
2016年
/
67卷
基金:
美国国家科学基金会;
关键词:
hydrophobic;
water-mediated;
potential of mean force;
free energy;
enthalpy;
entropy;
compensation;
crossover;
2ND VIRIAL-COEFFICIENTS;
UNITED-ATOM DESCRIPTION;
HIGH-ENERGY WATER;
TEMPERATURE-DEPENDENCE;
HEAT-CAPACITY;
MOLECULAR-DYNAMICS;
AQUEOUS-SOLUTIONS;
TRANSFERABLE POTENTIALS;
PHASE-EQUILIBRIA;
TERTIARY BUTANOL;
D O I:
10.1146/annurev-physchem-040215-112412
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
Hydrophobic interactions are driven by the combined influence of the direct attraction between oily solutes and an additional water-mediated interaction whose magnitude (and sign) depends sensitively on both solute size and attraction. The resulting delicate balance can lead to a slightly repulsive water-mediated interaction that drives oily molecules apart rather than pushing them together and thus opposes their direct (van der Waals) attraction for each other. As a consequence, competing solute size-dependent crossovers weaken hydrophobic interactions sufficiently that they are only expected to significantly exceed random thermal energy fluctuations for processes that bury more than similar to 1 nm(2) of water-exposed area.
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页码:617 / +
页数:29
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