Chen Pengyu, Yan Li-Tang
Key Laboratory of Advanced Materials (MOE), Department of Chemical Engineering, Tsinghua University, Beijing 100084, P. R. China.
J Mater Chem B. 2017 Jun 21;5(23):4290-4306. doi: 10.1039/c6tb03310e. Epub 2017 Feb 9.
As a class of two-dimensional (2D) nanomaterials, graphene and its derivatives have aroused tremendous interest in materials chemistry research ranging from synthesis, property characterization to technological application. In particular, the use of these nanomaterials in biomedicine has been steadily growing, which at the same time ignites great concern on their potential cytotoxicity and impacts on health and the environment. A thorough understanding and thereby controlling of the cellular interactions of graphene-based nanomaterials (GBNs) is critical for the development of guidelines for safer biomedical applications and for the management of graphene related health and environmental issues. This review article highlights the most recent advances in investigating physiochemical mechanisms of cellular interactions of GBNs, focusing on the approaches of tailored computer simulations and theoretical analysis. We review how the energies and forces govern the states and kinetic pathways of these interactions and depend on the physical and chemical characteristics of GBNs as well as the components and biomechanical properties of the cell membrane. In addition, we discuss the relation of the simulation and theoretical results to some important experimental findings towards the mechanisms of cytotoxicity and antibacterial activity of GBNs. This review concludes with a discussion on the challenges facing the field, and future directions from the perspective of computational and theoretical methodologies.
作为一类二维（2D）纳米材料，石墨烯及其衍生物在材料化学研究领域引起了极大的兴趣，研究范围涵盖从合成、性质表征到技术应用。特别是，这些纳米材料在生物医学中的应用一直在稳步增长，与此同时，人们对其潜在的细胞毒性以及对健康和环境的影响也引发了极大关注。深入了解并进而控制基于石墨烯的纳米材料（GBNs）与细胞的相互作用，对于制定更安全的生物医学应用指南以及管理与石墨烯相关的健康和环境问题至关重要。这篇综述文章重点介绍了在研究GBNs细胞相互作用的物理化学机制方面的最新进展，着重于定制化计算机模拟和理论分析方法。我们回顾了能量和力如何控制这些相互作用的状态和动力学途径，以及它们如何依赖于GBNs的物理和化学特性以及细胞膜的成分和生物力学性质。此外，我们还讨论了模拟和理论结果与关于GBNs细胞毒性和抗菌活性机制的一些重要实验发现之间的关系。这篇综述最后讨论了该领域面临的挑战，以及从计算和理论方法角度出发的未来方向。
