协调微观和宏观疏水效应的大小。

Reconciling the magnitude of the microscopic and macroscopic hydrophobic effects.

作者信息

Sharp K A, Nicholls A, Fine R F, Honig B

机构信息

Department of Biochemistry and Molecular Biophysics, Columbia University, New York, NY 10032.

出版信息

Science. 1991 Apr 5;252(5002):106-9. doi: 10.1126/science.2011744.

DOI:10.1126/science.2011744

PMID:2011744

Abstract

The magnitude of the hydrophobic effect, as measured from the surface area dependence of the solubilities of hydrocarbons in water, is generally thought to be about 25 calories per mole per square angstrom (cal mol-1 A-2). However, the surface tension at a hydrocarbon-water interface, which is a "macroscopic" measure of the hydrophobic effect, is approximately 72 cal mol-1 A-2. In an attempt to reconcile these values, alkane solubility data have been reevaluated to account for solute-solvent size differences, leading to a revised "microscopic" hydrophobic effect of 47 cal mol-1 A-2. This value, when used in a simple geometric model for the curvature dependence of the hydrophobic effect, predicts a macroscopic alkane-water surface tension that is close to the macroscopic value.

摘要

从烃类在水中溶解度的表面积依赖性测得的疏水效应强度，通常认为约为每摩尔每平方埃25卡（cal mol⁻¹ Å⁻²）。然而，烃 - 水界面处的表面张力，这是疏水效应的一种“宏观”度量，约为72 cal mol⁻¹ Å⁻²。为了协调这些数值，对烷烃溶解度数据进行了重新评估，以考虑溶质 - 溶剂尺寸差异，从而得出经修订的“微观”疏水效应为47 cal mol⁻¹ Å⁻²。当将该数值用于疏水效应曲率依赖性的简单几何模型时，预测出的宏观烷烃 - 水表面张力与宏观值相近。