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Effect of the surface charge distribution on the fluid phase behavior of charged colloids and proteins

机译:表面电荷分布对带电胶体和蛋白质的液相行为的影响

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摘要

A generic but simple model is presented to evaluate the effect of the heterogeneous surface charge distribution of proteins and zwitterionic nanoparticles on their thermodynamic phase behavior. By considering surface charges as continuous "patches,"the rich set of surface patterns that is embedded in proteins and charged patchy particles can readily be described. This model is used to study the fluid phase separation of charged particles where the screening length is of the same order of magnitude as the particle size. In particular, two types of charged particles are studied: dipolar fluids and protein-like fluids. The former represents the simplest case of zwitterionic particles, whose charge distribution can be described by their dipole moment. The latter system corresponds to molecules/particles with complex surface charge arrangements such as those found in biomolecules. The results for both systems suggest a relation between the critical region, the strength of the interparticle interactions, and the arrangement of charged patches, where the critical temperature is strongly correlated to the magnitude of the dipole moment. Additionally, competition between attractive and repulsive charge-charge interactions seems to be related to the formation of fluctuating clusters in the dilute phase of dipolar fluids, as well as to the broadening of the binodal curve in protein-like fluids. Finally, a variety of self-assembled architectures are detected for dipolar fluids upon small changes to the charge distribution, providing the groundwork for studying the self-assembly of charged patchy particles.
机译:提出了一个通用但简单的模型来评估蛋白质和两性离子纳米粒子的异质表面电荷分布对其热力学相行为的影响。通过将表面电荷视为连续的“斑块”,可以轻松地描述嵌入蛋白质和带电斑块中的丰富表面图案。该模型用于研究带电粒子的液相分离,其中筛分长度与粒径相同。特别地,研究了两种类型的带电粒子:偶极流体和类蛋白流体。前者代表两性离子粒子的最简单情况,其电荷分布可通过其偶极矩来描述。后一种系统对应于具有复杂表面电荷排列的分子/颗粒,例如生物分子中发现的那些。两种系统的结果都表明临界区域,粒子间相互作用的强度和带电斑块的排列之间存在关系,其中临界温度与偶极矩的大小密切相关。另外,有吸引力的和排斥性的电荷-电荷相互作用之间的竞争似乎与偶极流体的稀相中波动簇的形成以及蛋白质样流体中的二倍体曲线的加宽有关。最后,在电荷分布发生微小变化时,就可以检测出多种用于偶极流体的自组装体系结构,为研究带电斑块的自组装提供了基础。

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