Phospholipid Monolayer/Graphene Interfaces: Curvature Effect on Lipid Morphology and Dynamics
Phospholipid Monolayer/Graphene Interfaces: Curvature Effect on Lipid Morphology and Dynamics
复制标题
磷脂单层/石墨烯界面：曲率对脂质形态和动力学的影响
DOI：
10.1021/acs.jpcb.2c00896
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发表时间：
2022
期刊：
影响因子：
--
通讯作者：
Aluru, N. R.
中科院分区：
文献类型：
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作者：
Dronadula, Mohan Teja;Aluru, N. R.
磷脂是一类重要的脂质，广泛用作研究生物过程和相互作用的模型平台。这些脂质可以与固体基质（如石墨烯）形成稳定的界面，并且这些界面在生物传感和靶向药物递送方面具有潜在的应用。在本文中，我们进行分子动力学模拟石墨烯支持的脂质单分子膜，以表征这种接口的脂质性质。我们观察到支撑单层和自由双层之间在脂质性质方面的显著差异，例如尾序参数、密度分布、扩散速率等，并且我们研究了正弦变形的石墨烯基底上的这些界面，以了解曲率对支撑脂质的影响。在这里，我们观察到，基板曲率的性质，即凹或凸，可以局部影响脂质/基板的粘附强度，并诱导吸附的脂质单层的结构和动态变化。总之，这些结果有助于表征脂质/石墨烯界面的性质，并提供对这些界面上的基底曲率效应的见解，这可以使脂质性质的调谐用于各种传感器设备和药物递送应用。
Phospholipids are an important class of lipids that are widely used as model platforms for the study of biological processes and interactions. These lipids can form stable interfaces with solid substrates, such as graphene, and these interfaces have potential applications in biosensing and targeted drug delivery. In this paper, we perform molecular dynamics simulations of graphene-supported lipid monolayers to characterize the lipid properties of such interfaces. We observed substantial differences between the supported monolayer and free-standing bilayer in terms of the lipid properties, such as the tail order parameters, density profiles, diffusion rates, and so on. Furthermore, we studied these interfaces on sinusoidally deformed graphene substrates to understand the effect of curvature on the supported lipids. Here, we observed that the nature of the substrate curvature, that is, concave or convex, can locally affect the lipid/substrate adhesion strength and induce structural and dynamic changes in the adsorbed lipid monolayer. Together, these results help characterize the properties of lipid/graphene interfaces and provide insights into the substrate curvature effect on these interfaces, which can enable the tuning of lipid properties for various sensor devices and drug delivery applications.