Chaudhari Mangesh I, Vanegas Juan M, Pratt L R, Muralidharan Ajay, Rempe Susan B
Department of Computational Biology and Biophysics, Sandia National Laboratories, Albuquerque, New Mexico 87185, USA; email:
Current affiliation: Department of Physics, University of Vermont, Burlington, Vermont 05405, USA.
Annu Rev Phys Chem. 2020 Apr 20;71:461-484. doi: 10.1146/annurev-physchem-012320-015457. Epub 2020 Mar 9.
Ions transiting biomembranes might pass readily from water through ion-specific membrane proteins if these protein channels provide environments similar to the aqueous solution hydration environment. Indeed, bulk aqueous solution is an important reference condition for the ion permeation process. Assessment of this hydration mimicry concept depends on understanding the hydration structure and free energies of metal ions in water in order to provide a comparison for the membrane channel environment. To refine these considerations, we review local hydration structures of ions in bulk water and the molecular quasi-chemical theory that provides hydration free energies. In doing so, we note some current views of ion binding to membrane channels and suggest new physical chemical calculations and experiments that might further clarify the hydration mimicry concept.
如果这些蛋白质通道提供与水溶液水合环境相似的环境，那么穿过生物膜的离子可能很容易从水中通过离子特异性膜蛋白。实际上，大量水溶液是离子渗透过程的重要参考条件。对这种水合模拟概念的评估取决于理解金属离子在水中的水合结构和自由能，以便为膜通道环境提供比较。为了完善这些考虑因素，我们回顾了大量水中离子的局部水合结构以及提供水合自由能的分子准化学理论。在此过程中，我们注意到目前关于离子与膜通道结合的一些观点，并提出可能进一步阐明水合模拟概念的新物理化学计算和实验。
