Theoretical Chemistry, ‡Biophysical Chemistry, §Biochemistry & Structural Biology, and ∥Physical Chemistry, Lund University , 221 00 Lund, Sweden.
Central European Institute of Technology and #Faculty of Science, Masaryk University , 625 00 Brno, Czech Republic.
Langmuir. 2018 Jan 30;34(4):1266-1273. doi: 10.1021/acs.langmuir.7b03155. Epub 2018 Jan 17.
Amyloid aggregates are associated with a range of human neurodegenerative disorders, and it has been shown that neurotoxicity is dependent on aggregate size. Combining molecular simulation with analytical theory, a predictive model is proposed for the adsorption of amyloid aggregates onto oppositely charged surfaces, where the interaction is governed by an interplay between electrostatic attraction and entropic repulsion. Predictions are experimentally validated against quartz crystal microbalance-dissipation experiments of amyloid beta peptides and fragmented fibrils in the presence of a supported lipid bilayer. Assuming amyloids as rigid, elongated particles, we observe nonmonotonic trends for the extent of adsorption with respect to aggregate size and preferential adsorption of smaller aggregates over larger ones. Our findings describe a general phenomenon with implications for stiff polyions and rodlike particles that are electrostatically attracted to a surface.
淀粉样蛋白聚集体与一系列人类神经退行性疾病有关，并且已经表明神经毒性取决于聚集体的大小。通过将分子模拟与分析理论相结合，提出了一种用于淀粉样蛋白聚集体在带相反电荷的表面上吸附的预测模型，其中相互作用由静电吸引和熵排斥之间的相互作用控制。预测结果通过在存在支撑脂质双层的情况下对淀粉样 β 肽和片段化原纤维的石英晶体微天平耗散实验进行了实验验证。假设淀粉样蛋白为刚性、细长的颗粒，我们观察到吸附程度随聚集体大小的非单调趋势，以及较小聚集体优先吸附于较大聚集体之上。我们的发现描述了一种普遍现象，对带静电吸引到表面的刚性多离子和棒状颗粒具有重要意义。
