不同粒径纳米金属氧化物的氧化应激效应预测
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- 英文论文题名：Predicting the oxidative stress potentials of different sizes of metal oxide nanoparticles
- 论文作者：张丽丽 ; 李雪花 ; 赵何宁
- 英文论文作者：Lili Zhang ; Xuehua Li ; Hening Zhao ; Key Laboratory of Industrial Ecology and Environmental Engineering (Ministry of Education) ; School of Environmental Science and Technology ; Dalian University of Technology
- 年：2016
- 作者机构：工业生态与环境工程教育部重点实验室大连理工大学环境学院;
- 论文关键词：纳米金属氧化物 ; 粒径 ; 氧化应激效应 ; 预测模型
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第二十六分会：环境化学
- 语种：中文
- 分类号：TB383.1
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第二十六分会 ; 环境化学
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：258k
- 原文格式：D
- 会议级别：全国
摘要
诱导产生活性氧物种(ROS),引发氧化应激效应是纳米金属氧化物主要的毒性机制。纳米金属氧化物的晶体结构和粒径是决定其氧化应激效应的重要因素,逐一测定不同粒径的纳米金属氧化物能否产生氧化应激效应几乎是不现实的。纳米金属氧化物的导带能级与细胞氧化还原电位的重叠度,可以反映纳米金属氧化物产生氧化应激效应的能力[1-2]。本研究基于密度泛函理论(DFT),计算了15种纳米金属氧化物的能带。考虑量子尺寸效应对纳米材料能带结构的影响,建立了15种纳米金属氧化物的导带与粒径之间的定量关系。通过比较纳米金属氧化物的导带与胞内氧化还原电位(-4.12~-4.84e V),分析了15种纳米金属氧化物的粒径对氧化应激效应的影响。结果表明,7种纳米金属氧化物在特定粒径范围内可产生氧化应激效应。本研究建立的不同粒径纳米金属氧化物产生氧化应激效应的预测方法,对于纳米金属氧化物的毒性评价具有重要意义。
Oxidative stress induced by reactive oxygen species(ROS) generation is thought to be the main toxic mechanism of metal oxide nanoparticles.The crystal structure and particle size of metal oxide nanoparticles are important factors to affect the oxidative stress.It is difficult to determine oxidative stress potentials of a large number of metal oxide nanoparticles by experimental measurement.The overlap of conduction band energy(Ec) levels with the cellular redox potential can correctly interpret the ROS generation of most metal oxides[1-2].Based on the density functional theory,the band energy of 15 metal oxide nanoparticles was calculated.Considering the influence of the quantum size effect,a quantitative relationship between the particle size and the conduction band energy was developed.By comparing the conduction band energy levels and the cellular redox potential(-4.12 to-4.84 e V),the influence of particle size on oxidative stress was analyzed.Among the materials,7 metal oxide nanoparticles can induce oxidative stress within a certain size.The predictive paradigm for oxidative stress is of great significance for the toxicological assessment of metal oxide nanoparticles.
Oxidative stress induced by reactive oxygen species(ROS) generation is thought to be the main toxic mechanism of metal oxide nanoparticles.The crystal structure and particle size of metal oxide nanoparticles are important factors to affect the oxidative stress.It is difficult to determine oxidative stress potentials of a large number of metal oxide nanoparticles by experimental measurement.The overlap of conduction band energy(Ec) levels with the cellular redox potential can correctly interpret the ROS generation of most metal oxides[1-2].Based on the density functional theory,the band energy of 15 metal oxide nanoparticles was calculated.Considering the influence of the quantum size effect,a quantitative relationship between the particle size and the conduction band energy was developed.By comparing the conduction band energy levels and the cellular redox potential(-4.12 to-4.84 e V),the influence of particle size on oxidative stress was analyzed.Among the materials,7 metal oxide nanoparticles can induce oxidative stress within a certain size.The predictive paradigm for oxidative stress is of great significance for the toxicological assessment of metal oxide nanoparticles.
引文
[1]Li,Y.;Zhang,W.;Niu,J.;Chen,Y.ACS Nano,2012,6(6):5164.
[2]Zhang,H.;Ji,Z.;Xia,T.;Meng,H.ACS Nano 2012,6(5):4349.
[2]Zhang,H.;Ji,Z.;Xia,T.;Meng,H.ACS Nano 2012,6(5):4349.