Molecular insights into MXene destructing the cell membrane as a “nano thermal blade”,Physical Chemistry Chemical Physics

当前位置： X-MOL 学术 › Phys. Chem. Chem. Phys. › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Molecular insights into MXene destructing the cell membrane as a “nano thermal blade”
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2021-1-12 , DOI: 10.1039/d0cp05928e
Daxin Wu _{1,

2,

3} , Ruixuan Zhao _{1,

2,

3} , Yu Chen _{3,

4,

5} , Ying Wang _{1,

2,

3} , Jiebo Li _{1,

2,

3} , Yubo Fan _{1,

2,

3}

Affiliation

As a novel two-dimensional material, the most popular MXene (Ti₃C₂T_x) has presented promising therapeutic effects in cancer and bacterial infections under near infrared light illumination. However, there is still a lack of molecular level insight on the destruction of the cell membrane by MXene. In this work, a series of molecular dynamics simulations were conducted to capture the nanosheet destruction processes. The results showed that the penetration of the MXene nanosheet into the cell membrane is a non-spontaneous process, which required an enormous external force compared to other nanomaterials. Besides, the plasma membrane was disrupted during the penetration process. After the demonstration of disturbing the lipid membrane by higher temperature, we also found that there exists a significantly high effective thermal conduction pathway at the Ti₃C₂–POPC lipid interface mediated by van der Waals interactions and hydrogen bonds. The findings provide an understanding of the MXene-related cancer therapy and antibacterial activity, and offer guidance for the broader applications of MXene in the field of biomedicine.

中文翻译：

对MXene的分子见解将细胞膜破坏为“纳米热刀片”

作为一种新颖的二维材料，最受欢迎的MXene（Ti ₃ C ₂ T _x）在近红外光照射下已显示出对癌症和细菌感染有希望的治疗作用。然而，关于MXene破坏细胞膜仍然缺乏分子水平的见解。在这项工作中，进行了一系列分子动力学模拟，以捕获纳米片破坏过程。结果表明，MXene纳米片渗透进入细胞膜是非自发过程，与其他纳米材料相比，它需要巨大的外力。此外，质膜在穿透过程中被破坏。在通过高温扰动脂质膜的演示之后，我们还发现在Ti ₃ C ₂处存在非常高的有效热传导途径–范德华相互作用和氢键介导的–POPC脂质界面。这些发现提供了与MXene相关的癌症治疗和抗菌活性的理解，并为MXene在生物医学领域的广泛应用提供了指导。

更新日期：2021-01-27

点击分享查看原文

点击收藏

阅读更多本刊最新论文本刊介绍/投稿指南11