Division of Chemical Engineering and Molecular Thermodynamics Laboratory, Hanyang University, Seoul 133-791, South Korea.
J Chem Phys. 2010 Oct 21;133(15):154104. doi: 10.1063/1.3489679.
A simple and analytical pair potential function was developed to represent the osmotic pressures in aqueous protein/salt systems under various conditions. Based on a hard core Lennard-Jones (HCLJ) potential model, the new potential function considers various interactions by extending the attractive Lennard-Jones potential. A temperature-dependent coefficient term was introduced to take into account the specific properties of given materials. Comparison of the new potential function with the HCLJ model in hydrocarbon and water systems showed that consideration of the temperature dependence in the potential function was effective, especially for strong polar systems such as water. To predict the osmotic pressures of aqueous lysozyme/(NH(4))(2)SO(4) solutions of various ionic strength and pH, the energy parameters of lysozyme were correlated with the experimental cloud point temperature. The proposed model agreed fairly well with the experimental osmotic pressure data with only previously obtained parameters.
我们开发了一种简单的分析型对势函数，以表示在各种条件下蛋白质/盐在水溶液中的渗透压。新的对势函数基于硬球 Lennard-Jones（HCLJ）势模型，通过扩展吸引力 Lennard-Jones 势来考虑各种相互作用。引入了一个与温度有关的系数项，以考虑给定材料的特性。将新的对势函数与烃类和水系统中的 HCLJ 模型进行比较表明，考虑势函数中的温度依赖性是有效的，特别是对于水等强极性系统。为了预测各种离子强度和 pH 的水溶菌朊/(NH(4))(2)SO(4)溶液的渗透压，将菌朊的能量参数与实验的浊点温度相关联。所提出的模型仅使用先前获得的参数与实验渗透压数据吻合得相当好。
