Zhang Yonghui, Li Zhen, Chan Chun, Ma Jiale, Zhi Chunyi, Cheng Xiaolin, Fan Jun
Department of Materials Science and Engineering, City University of Hong Kong, 83 Tat Chee Avenue, Hong Kong, China.
Phys Chem Chem Phys. 2018 Feb 7;20(6):3903-3910. doi: 10.1039/c7cp07136a.
Boron nitride nanosheets are novel promising nanomaterials with a lower cytotoxicity than graphene making them a better candidate for biomedical applications. However, there is no systematic study on how they interact with cell membranes. Here we employed large scale all-atom molecular dynamics simulations to provide molecular details of the structure and properties of membranes after the insertion of boron nitride nanosheets. Our results reveal that the boron nitride nanosheet can extract phospholipids from the lipid bilayers and is enveloped by the membrane. Afterwards, the acyl chains of lipid molecules re-orient and become more ordered. As a result, a fluid to gel phase transition occurs in the 1,2-dimyristoyl-sn-glycero-3-phosphocholine bilayer. Consequently, the bending moduli of the bilayers increase, and the diffusivity of the individual lipid molecule decreases. These changes will affect relevant cellular activities, such as endocytosis and signal transduction. Our study provides novel insights into the biocompatibility and cytotoxicity of boron nitride nanosheets, which may facilitate the design of safer nanocarriers, antibiotics and other bio-nanotechnology applications.
氮化硼纳米片是一种新型的有前景的纳米材料，其细胞毒性低于石墨烯，使其成为生物医学应用的更佳候选材料。然而，目前尚无关于它们如何与细胞膜相互作用的系统研究。在此，我们采用大规模全原子分子动力学模拟，以提供插入氮化硼纳米片后膜的结构和性质的分子细节。我们的结果表明，氮化硼纳米片可以从脂质双层中提取磷脂并被膜包裹。之后，脂质分子的酰基链重新定向并变得更加有序。结果，在1,2-二肉豆蔻酰-sn-甘油-3-磷酸胆碱双层中发生了从流体到凝胶相的转变。因此，双层膜的弯曲模量增加，单个脂质分子的扩散率降低。这些变化将影响相关的细胞活动，如内吞作用和信号转导。我们的研究为氮化硼纳米片的生物相容性和细胞毒性提供了新的见解，这可能有助于设计更安全的纳米载体、抗生素和其他生物纳米技术应用。
