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首页> 外文期刊>The European physical journal, E. Soft matter >Nanoparticle filtering in charged hydrogels: Effects of particle size, charge asymmetry and salt concentration
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Nanoparticle filtering in charged hydrogels: Effects of particle size, charge asymmetry and salt concentration

机译：带电水凝胶中的纳米颗粒过滤：粒径，电荷不对称性和盐浓度的影响

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The understanding of particle transport mechanisms in biological and synthetic hydrogels is crucial for the development of advanced drug delivery methods. We propose a simple model for the diffusion of charged nanoparticles in cross-linked, charged hydrogels based on a cubic periodic environment and an electrostatic interaction potential of varying range and strength, encompassing attractive and repulsive scenarios. The long-time diffusive properties are investigated by use of Brownian dynamics simulations and analytical methods. A number of experimentally observed phenomena attributed to nonsteric interactions between hydrogel polymers and diffusing particle are naturally reproduced by our model. Charged particles diffuse slower than uncharged particles, regardless of the sign of the surface charge, but with a stronger hindrance effect for attractive electrostatic interactions. This is explained in terms of charged particles sticking to the polymer network in regions of strong opposite charge and their exclusion from similarly charged regions. In the case of attractive interactions between hydrogel polymers and the diffusing particle, smaller charged particles diffuse slower than larger ones. This stands in contrast to a size filtering scenario but is in agreement with experimental findings. In the case of repulsive interactions, a range of differently sized particles diffuse equally fast. We compare our model predictions with published experiments on charged particle diffusion in hydrogels and confirm that electrostatic interactions are a key factor influencing the diffusivity of charged nanoparticles and that oppositely charged gels are much more effective in slowing down a charged particle than similarly charged gels.
机译：对生物和合成水凝胶中颗粒传输机制的理解对于开发先进的药物传输方法至关重要。我们提出了一个简单的模型，用于基于立方周期性环境以及变化范围和强度的静电相互作用势（包括有吸引力和排斥的情况），使带电纳米粒子在交联的带电水凝胶中扩散。通过使用布朗动力学模拟和分析方法研究了长期扩散特性。我们的模型自然再现了许多实验观察到的现象，这些现象归因于水凝胶聚合物与扩散粒子之间的非空间相互作用。不管表面电荷的迹象如何，带电粒子的扩散速度都比不带电粒子的扩散速度慢，但对吸引人的静电相互作用具有更强的阻碍作用。这是根据在强相反电荷的区域中带电粒子粘附到聚合物网络上以及它们被排除在相似带电区域之外而解释的。在水凝胶聚合物与扩散粒子之间具有吸引作用的情况下，较小的带电粒子的扩散速度要比较大的带电粒子慢。这与大小过滤方案相反，但与实验结果一致。在排斥相互作用的情况下，一系列大小不同的颗粒会以同样快的速度扩散。我们将模型预测结果与已发表的关于带电粒子在水凝胶中扩散的实验进行比较，并确认静电相互作用是影响带电纳米粒子扩散性的关键因素，并且带相反电荷的凝胶在减缓带电粒子方面比类似带电凝胶更有效。

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