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Computational Study Of Diffusion In Cellulartwo-dimensional Crowded Media Modeled As Mixturesrnof Mobile And Immobile Obstacles

机译:二维流体在拥挤的可移动障碍物和不可移动障碍物中的扩散计算研究

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The aim of this paper is to reveal how diffusion in cellular obstructed media is affected by obstacles' mobility using a Monte Carlo simulation algorithm. Macromolecular crowding is a characteristic of cellular media and it has strong effects on many physical and chemical phenomena, diffusion being one of the most affected. We model small particles diffusion processes in cell membranes using two-dimensional lattices with obstacles having different sizes and different degrees of mobility. There are two types of obstacles: the first ones mimic membrane proteins, are bigger and immobile and the second ones mimic membrane lipids, are smaller and have different degrees of mobility. Our simulations show that in all obstructed lattices diffusion is anomalous for short times and becomes normal for long times. They also reveal that for increasing mobility of obstacles diffusion is less anomalous and the crossover time from one regime to another decreases with increasing mobility of obstacles. These results reflect that membrane fluidity strongly facilitates small particles diffusion processes and underline the applicability of these kind of computational studies for analysing molecular diffusion in cellular media.
机译:本文的目的是使用蒙特卡洛模拟算法揭示障碍物在细胞阻塞介质中的扩散如何受到影响。大分子拥挤是细胞介质的特征,它对许多物理和化学现象具有强烈影响,扩散是受影响最大的一种。我们使用具有不同尺寸和不同迁移率的障碍物的二维晶格对细胞膜中的小颗粒扩散过程进行建模。障碍有两种类型:第一种障碍是模仿膜蛋白,较大且不能移动;第二种障碍是模仿膜脂,较小且具有不同程度的移动性。我们的模拟表明,在所有受阻格子中,扩散在短时间内是异常的,而在长时间内是正常的。他们还揭示出,随着障碍物移动性的增加,障碍物扩散的异常程度也将减少,并且从一种状态到另一种状态的穿越时间会减少。这些结果表明,膜的流动性极大地促进了小颗粒的扩散过程,并强调了这类计算研究在分析细胞介质中分子扩散方面的适用性。

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