纳米材料几种类酶活性分子机理的计算研究
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- 英文论文题名：On the Mechanisms of Several Enzyme-Like Activities of Nanomaterials: A computational Study
- 论文作者：高兴发 ; 沈小美
- 英文论文作者：Xingfa Gao ; Xiaomei Shen ; College of Chemistry and Chemical Engineering ; Jiangxi Normal University ; CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety ; Institute of High nergy Physics ; Chinese Academy of Sciences
- 年：2016
- 作者机构：江西师范大学化学化工学院;中国科学院高能物理研究所;
- 论文关键词：碳纳米材料 ; 金属纳米材料 ; 类酶活性 ; 第一性原理 ; 分子机理
- 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-第四十分会：纳米体系理论与模拟
- 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-第四十分会 ; 纳米体系理论与模拟
- 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：2
- 文件大小：351k
- 原文格式：D
- 会议级别：全国
摘要
研究纳米材料与生物过程的化学相互作用,即纳米生物化学,一方面可能衍生新的纳米医学和纳米生物技术,另一方面可能防范纳米副产品对人类和环境带来的潜在安全性风险,因此十分重要。碳纳米材料和金属纳米材料均可能活化O_2和H_2O_2将有机底物氧化,表现类氧化酶和过氧化物酶活性。此外,纳米材料在不同条件下可能清除H_2O_2和O_2,表现类过氧化氢酶和超氧化物歧化酶活性。而这几种类酶活性的分子机制和构效关系并不清除,限制了相关研究与设计的深入开展。我们将基于第一性原理计算结果,探讨金属纳米材料以上几种类酶活性的分子机制和构效关系[1,2],初步探讨碳纳米材料类过氧化物酶活性的分子机制[3],并对我们今后的研究进行展望。
Studying chemical interactions of nanomaterials with bioprocesses,namely,nano-biochemistry,is very important as it may develop new nanomedecine and nano-biotechnologies and also benefit preventing the potential hazard effects of nanomaterials.Both carbon and metal nanomaterials can activate O_2 and H_2O_2 to oxidize organic substrates,mimicking oxidase and peroxidase activities.Besides,as the condition changes,nanomaterials can also scavenge H_2O_2 and O_2~(●-),mimicking catalase and superoxide dismutase activities.However,the mechanisms and structure-activity relationships of these enzyme-like properties are unclear,which hinders the in-depth research and design.On the basis of first-principle calculation results,we will discuss the mechanisms and structure-activity relationships for the four enzyme-like activities of meal nanomaterials.We will also discuss the preliminary results on the peroxidase-like activity of carbon nanomaterials and outlook our future study on this topic.
Studying chemical interactions of nanomaterials with bioprocesses,namely,nano-biochemistry,is very important as it may develop new nanomedecine and nano-biotechnologies and also benefit preventing the potential hazard effects of nanomaterials.Both carbon and metal nanomaterials can activate O_2 and H_2O_2 to oxidize organic substrates,mimicking oxidase and peroxidase activities.Besides,as the condition changes,nanomaterials can also scavenge H_2O_2 and O_2~(●-),mimicking catalase and superoxide dismutase activities.However,the mechanisms and structure-activity relationships of these enzyme-like properties are unclear,which hinders the in-depth research and design.On the basis of first-principle calculation results,we will discuss the mechanisms and structure-activity relationships for the four enzyme-like activities of meal nanomaterials.We will also discuss the preliminary results on the peroxidase-like activity of carbon nanomaterials and outlook our future study on this topic.
引文
[1]Li,J.;Liu,W.;Wu,X.;Gao,X.F.Biomaterials 2015,48:37.
[2]Shen,X.;Liu,W.;Gao,X.J.;Lu,Z.;Wu,X.;Gao,X.F.J.Am.Chem.Soc.2015,137:15882.
[3]Zhao,R.;Zhao,X.;Gao,X.F.Chem.Eur.J.2015,21:960.
[2]Shen,X.;Liu,W.;Gao,X.J.;Lu,Z.;Wu,X.;Gao,X.F.J.Am.Chem.Soc.2015,137:15882.
[3]Zhao,R.;Zhao,X.;Gao,X.F.Chem.Eur.J.2015,21:960.
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