石墨烯生物毒性的计算机模拟研究进展

周梦迪; 沈嘉炜; 梁立军; 李嘉辰; 金乐红; 王琦

doi:10.11949/0438-1157.20191233

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石墨烯生物毒性的计算机模拟研究进展

综述与专论 | 更新时间：2026-07-24

- 石墨烯生物毒性的计算机模拟研究进展
- Advances in computer simulation of graphene biotoxicity
- 化工学报 2020年71卷第1期页码：148-165
- 作者机构：
  
  1. 杭州师范大学医学院，浙江杭州 311121
  2. 杭州电子科技大学自动化学院，浙江杭州 310018
  3. 浙江大学化学系，浙江杭州 310027
- 作者简介：
  
  周梦迪（1994—），女，硕士研究生，2568030365@qq.com
  沈嘉炜（1980—），男，博士，教授，shen.jiawei@hotmail.com
  金乐红(1969—)，女，本科，高级实验师，jinlehong@sohu.com
- 基金信息：
  
  国家自然科学基金项目(21674032;21978060);高层次留学回国人员在杭创新项目;杭州师范大学科研重点培育项目(2018PYXML006)
- DOI：10.11949/0438-1157.20191233
  中图分类号： R 995
- 收稿：2019-10-23，
  
  修回：2019-10-30，
  
  网络首发：2020-08-12，
  
  纸质出版：2020-01-05
- 稿件说明：
移动端阅览
周梦迪, 沈嘉炜, 梁立军, 李嘉辰, 金乐红, 王琦. 石墨烯生物毒性的计算机模拟研究进展[J]. 化工学报, 2020, 71(1): 148-165

ZHOU Mengdi, SHEN Jiawei, LIANG Lijun, LI Jiachen, JIN Lehong, WANG Qi. Advances in computer simulation of graphene biotoxicity[J]. CIESC Journal, 2020, 71(1): 148-165
周梦迪, 沈嘉炜, 梁立军, 李嘉辰, 金乐红, 王琦. 石墨烯生物毒性的计算机模拟研究进展[J]. 化工学报, 2020, 71(1): 148-165 DOI： 10.11949/0438-1157.20191233.

ZHOU Mengdi, SHEN Jiawei, LIANG Lijun, LI Jiachen, JIN Lehong, WANG Qi. Advances in computer simulation of graphene biotoxicity[J]. CIESC Journal, 2020, 71(1): 148-165 DOI： 10.11949/0438-1157.20191233.

摘要

石墨烯是一种由平整的单层碳原子密集堆积成二维蜂窝晶格的碳纳米材料，具有优异的光学、电学、力学等特性，在生物医药、材料学等领域具有重要的应用前景。随着石墨烯在以上研究领域的广泛应用，其生物安全性问题也备受关注。尽管有大量研究表明石墨烯的生物相容性较好，但是部分研究却发现石墨烯具有一定的生物毒性。石墨烯粒径小，容易通过皮肤进入体内，可能与蛋白质、脂质或核酸等生物大分子相互作用。近年来，由于计算机模拟技术具有成本低、安全性高、易获得实验无法获取的动态结构等优势而被广泛用于生物、化学、制药等领域。本文综述了石墨烯与细胞膜、蛋白质和DNA等生物大分子相互作用的计算机模拟研究进展，从而评估石墨烯可能存在的生物毒性，为石墨烯的生物安全性评价和生物医学应用提供了参考。

Abstract

Graphene is a two-dimensional carbon nanomaterial densely packed into a two-dimensional honeycomb lattice by a flat single-layer carbon atom. Graphene has excellent optical

electrical and mechanical properties and has important application prospects in biomedicine and materials science. With the wide application of graphene in scientific research

its biosafety issues are also received huge attention. Although a large number of studies have shown that graphene has good biocompatibility

some studies have found that graphene has certain biological toxicity. Graphene could interact with proteins

lipids and nucleic acids

etc

. Because it could permeate through the skin due to its small particle size. Recent

computer simulation has been widely used in the field of biology

chemistry and pharmaceutics

etc

. due to its low cost

high safety and easy access to dynamic structures which cannot be directly obtained by available experiment technologies. Therefore

in this paper

the computer simulation of the biotoxicity of graphene to cell membrane

proteins and DNA were reviewed

which may provide a reference for graphene biosafety evaluation and biomedical applications.

关键词

Keywords

references

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