Laboratoire Chrono Environnement UMR CNRS 6249, Université de Bourgogne Franche-Comté, 16 route de Gray, 25030 Besançon Cedex, France.
CEITEC - Central European Institute of Technology, Masaryk University, Kamenice, CZ-62500 Brno, Czech Republic.
J Phys Chem B. 2021 Jul 29;125(29):8060-8074. doi: 10.1021/acs.jpcb.1c04615. Epub 2021 Jul 21.
Pristine graphene, a range of graphene oxides, and silica substrates were used to investigate the effect of surface hydrophilicity on supported lipid bilayers by means of all-atom molecular dynamics simulations. Supported 1,2-dioleoyl--glycero-3-phosphocholine lipid bilayers were found in close-contact conformations with hydrophilic substrates with as low as 5% oxidation level, while self-assembled monolayers occur on pure hydrophobic graphene only. Lipids and water at the surface undergo large redistribution to maintain the stability of the supported bilayers. Deposition of bicelles on increasingly hydrophilic substrates shows the continuous process of reshaping of the supported system and makes intermediate stages between self-assembled monolayers and supported bilayers. The bilayer thickness changes with hydrophilicity in a complex manner, while the number of water molecules per lipid in the hydration layer increases together with hydrophilicity.
原始石墨烯、一系列氧化石墨烯和二氧化硅衬底被用于通过全原子分子动力学模拟研究表面亲水性对负载脂双层的影响。在亲水衬底上，即使氧化水平低至 5%，负载的 1,2-二油酰基-sn-甘油-3-磷酸胆碱脂双层也能以紧密接触的构象存在，而纯疏水石墨烯上只发生自组装单层。表面处的脂质和水会发生大规模重新分布以维持负载双层的稳定性。双型脂质体在越来越亲水的衬底上的沉积显示了支撑体系的连续重塑过程，并在自组装单层和支撑双层之间形成了中间阶段。双层厚度以复杂的方式随亲水性变化，而水合层中每个脂质的水分子数随亲水性增加而增加。
