How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?
文献类型：期刊论文
| 作者 | Zhao, LN ; Li, N; Li X(李旭); Zhao LN(赵丽娜); Li, X; Zhao, HK
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| 刊名 | JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY
 |
| 出版日期 | 2018 |
| 卷号 | 18期号:3页码:1799-1803 |
| 关键词 | Amino Acid Ligand Au Nanocluster Atomic Structure Optical Characteristics Density Functional Theory Calculation |
| ISSN号 | 1533-4880 |
| DOI | 10.1166/jnn.2018.14224 |
| 文献子类 | Article |
| 英文摘要 | The atomic structures and the corresponding physicochemical properties of peptide coated Au nanoclusters determine their distinctive biological targeting applications. To learn the modulation of amino acid ligand on the atomic structure and electronic characteristics of coated Au core is the fundamental knowledge for peptide coated Au nanocluster design and construction. Based on our recent coated Au nanocluster configuration study (Nanoscale, 2016, 8, 11454), we built the typically simplified Au-13(Cys-Au-Cys) system to more clearly learn the basic modulation information of amino acid ligand on Au core by the density functional theory (DFT) calculations. There are two isomers as ligand adjacent bonding (Iso1) and diagonal bonding (Iso2) to Au-13 cores. The geometry optimizations indicate the adjacent bonding Iso1 is more stable than Iso2. More important, the Au-13 core of Iso1 distorts much more significantly than that of Iso2 by Cys-Au-Cys bonding through the root-mean-square deviation (RMSD) analysis, which modulate their electronic characteristics in different ways. In addition, the frontier molecular orbital results of Au-13(Cys-Au-Cys) isomers confirm that the Au cores mainly determine the blue shifts of Au-13(Cys-Au-Cys) systems versus the original Au-13 core in their UV-visible absorption spectrum studies. The configuration of Au-13 core performs deformation under Cys-Au-Cys ligand modulation to reach new stability with distinct atomic structure and electronic properties, which could be the theory basis for peptide coated AuNCs design and construction. |
| 电子版国际标准刊号 | 1533-4899 |
| WOS关键词 | GOLD NANOCLUSTERS ; NANOPARTICLES ; FLUORESCENCE ; PROBE |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000426033400038 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/285691]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 通讯作者 | Zhao LN(赵丽娜) |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Zhao, LN,Li, N,Li X,et al. How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?[J]. JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,2018,18(3):1799-1803. |
| APA | Zhao, LN,Li, N,李旭,赵丽娜,Li, X,&Zhao, HK.(2018).How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?.JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY,18(3),1799-1803. |
| MLA | Zhao, LN,et al."How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?".JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY 18.3(2018):1799-1803. |
入库方式： OAI收割
来源：高能物理研究所
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