CAS OpenIR  > 生化工程国家重点实验室
Molecular and mesoscale mechanism for hierarchical self-assembly of dipeptide and porphyrin light-harvesting system
Liu, Kai1,2; Kang, Yu3; Ma, Guanghui1; Moehwald, Helmuth4; Yan, Xuehai1,2
2016-07-07
发表期刊PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN1463-9076
卷号18期号:25页码:16738-16747
摘要A multi-scale theoretical investigation of dipeptide-porphyrin co-assembly systems has been carried out to establish such understanding, where two different types of the dipeptides, dilysine (KK3+) and diphenylalanine (FF+) are compared on tuning the porphyrin organization. Density functional theory results reveal that the electrostatic attraction between different functional groups has significantly strengthened the hydrogen bonds between them, which are considered as the driving force of the selfassembly at the molecular level. All-atom molecular dynamics (MD) simulation further indicates that the formation of the core-shell nanorods is driven and stabilized by the hydrophobic interaction between dipeptides and negatively charged porphyrin (H(2)TPPS2(-)), where the packed porphyrins stay inside as the core of the nanorods and the hydrophilic groups (amino-and carboxyl-groups) as the shell. With stronger hydrophobicity, FF+ is more likely to insert into the porphyrin aggregates and build crosslinks than KK3+. Moreover, dissipative particle dynamics (DPD) simulation suggests equilibrium morphologies with different dipeptides, where KK3(+)-H2TPPS2- assembled in fiber bundles, whereas FF+-H2TPPS2- assembled as microspheres, corresponding to the different packing behavior in MD simulations. The consistency of these results at different scales is discussed. The method used in this work could be extended for studying similar issues in hierarchical self-assembly of building blocks such biomaterials.
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
DOI10.1039/c6cp01358a
收录类别SCI
语种英语
关键词[WOS]DIPHENYLALANINE PEPTIDES ; MESOSCOPIC SIMULATION ; CATIONIC PORPHYRINS ; HYDROGEN-BONDS ; IONIC LIQUIDS ; LENGTH SCALES ; AGGREGATION ; NANOTUBES ; NANOSTRUCTURES ; ORGANIZATION
WOS研究方向Chemistry ; Physics
WOS类目Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
项目资助者National Natural Science Foundation of China(91434103 ; Talent Fund of the Recruitment Program of Global Youth Experts ; CAS visiting professorships for senior international scientists(2016VTA042) ; Chinese Academy of Sciences (CAS) ; 21522307 ; 21473208)
WOS记录号WOS:000378711100015
引用统计
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/21173
专题生化工程国家重点实验室
作者单位1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Biochem Engn, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, Ctr Mesosci, Beijing 100190, Peoples R China
3.Zhejiang Univ, Coll Pharmaceut Sci, Hangzhou 310058, Zhejiang, Peoples R China
4.Max Planck Inst Colloids & Interfaces, Muhlenberg 1, D-14476 Potsdam, Germany
推荐引用方式
GB/T 7714
Liu, Kai,Kang, Yu,Ma, Guanghui,et al. Molecular and mesoscale mechanism for hierarchical self-assembly of dipeptide and porphyrin light-harvesting system[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2016,18(25):16738-16747.
APA Liu, Kai,Kang, Yu,Ma, Guanghui,Moehwald, Helmuth,&Yan, Xuehai.(2016).Molecular and mesoscale mechanism for hierarchical self-assembly of dipeptide and porphyrin light-harvesting system.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,18(25),16738-16747.
MLA Liu, Kai,et al."Molecular and mesoscale mechanism for hierarchical self-assembly of dipeptide and porphyrin light-harvesting system".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 18.25(2016):16738-16747.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
Molecular and mesosc(6129KB)期刊论文出版稿开放获取CC BY-NC-SA浏览 请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Liu, Kai]的文章
[Kang, Yu]的文章
[Ma, Guanghui]的文章
百度学术
百度学术中相似的文章
[Liu, Kai]的文章
[Kang, Yu]的文章
[Ma, Guanghui]的文章
必应学术
必应学术中相似的文章
[Liu, Kai]的文章
[Kang, Yu]的文章
[Ma, Guanghui]的文章
相关权益政策
暂无数据
收藏/分享
文件名: Molecular and mesoscale mechanism for hierarchical self-assembly of dipeptide and porphyrin light-harvesting system.pdf
格式: Adobe PDF
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。