Molecular and mesoscale mechanism for hierarchical self-assembly of dipeptide and porphyrin light-harvesting system
文献类型：期刊论文
| 作者 | Liu, Kai1,2; Kang, Yu3; Ma, Guanghui1; Moehwald, Helmuth4; Yan, Xuehai1,2 |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2016-07-07 |
| 卷号 | 18期号:25页码:16738-16747 |
| ISSN号 | 1463-9076 |
| 英文摘要 | 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. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| 研究领域[WOS] | Chemistry ; Physics |
| 关键词[WOS] | DIPHENYLALANINE PEPTIDES ; MESOSCOPIC SIMULATION ; CATIONIC PORPHYRINS ; HYDROGEN-BONDS ; IONIC LIQUIDS ; LENGTH SCALES ; AGGREGATION ; NANOTUBES ; NANOSTRUCTURES ; ORGANIZATION |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000378711100015 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/21173]  |
| 专题 | 过程工程研究所_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. |
入库方式： OAI收割
来源：过程工程研究所
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