Department of Physical Chemistry, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Givat Ram, Jerusalem 91904, Israel.
J Chem Phys. 2012 Dec 21;137(23):235102. doi: 10.1063/1.4772463.
A new approach to the problem of pressure-denaturation (PD) and solute-denaturation (SD) of proteins is presented. The problem is formulated in terms of Le Chatelier principle, and a solution is sought in terms of the Kirkwood-Buff theory of solutions. It is found that both problems have one factor in common; the excluded volumes of the folded and the unfolded forms with respect to the solvent molecules. It is shown that solvent-induced effects operating on hydrophilic groups along the protein are probably the main reason for PD. On the other hand, the SD depends on the preferential solvation of the folded and the unfolded forms with respect to solvent and co-solvent molecules.
提出了一种解决蛋白质压力变性(PD)和溶质变性(SD)问题的新方法。该问题是根据勒夏特列原理来表述的,并根据溶液的 Kirkwood-Buff 理论来寻求解决方案。结果发现,这两个问题有一个共同的因素;即折叠和展开形式相对于溶剂分子的排除体积。结果表明,作用于蛋白质上亲水基团的溶剂诱导效应可能是 PD 的主要原因。另一方面,SD 取决于折叠和展开形式相对于溶剂和共溶剂分子的优先溶解。