Theoretical studies on the influence of molecular interactions on the mechanism of electron transfer in photosynthetic reaction center of Rps. viridis
文献类型：期刊论文
| 作者 | Xu, H; Zhang, RB; Qu, ZW; Zhang, XK; Zhang, QY |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 2002-12-01 |
| 卷号 | 45期号:6页码:570-585 |
| 关键词 | Bacteria Photosynthetic Reaction Center Electron Transfer Pigment Molecule Interaction Between Pigment Molecules And Neighboring Amino Acid Residue Dft |
| ISSN号 | 1006-9291 |
| 英文摘要 | Based on the QM/MM optimized X-ray crystal structure of the photosynthetic reaction center (PRC) of purple bacteria Rhodopseudomonas (Rps.) viddis, quantum chemistry density functional method (DIFT, B3LYP/6-31 G) has been performed to study the interactions between the pigment molecules and either the surrounded amino acid residues or water molecules that are either axially coordinated or hydrogen bonded with the pigment molecules, leading to an explanation of the mechanism of the primary electron-transfer (ET) reactions in the PRC. Results show that the axial coordination of amino acid residues greatly raises the E-LUMO of pigment molecules and it is important for the possibility of ET to take place. Different hydrogen bonds between amino acid residues, water molecules and pigment molecules decrease the E-LUMO of the pigment molecules to different extents. It is crucial for the ET taking place from excited P along L branch and sustains that the ET is a one-step reaction without through accessory bacteriochlorophyll (ABChIb). It is insufficient to treat the whole protein surrounding as a homogeneous dielectric medium. |
| 语种 | 英语 |
| WOS记录号 | WOS:000179596500002 |
| 出版者 | SCIENCE CHINA PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/78589]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, QY |
| 作者单位 | Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, H,Zhang, RB,Qu, ZW,et al. Theoretical studies on the influence of molecular interactions on the mechanism of electron transfer in photosynthetic reaction center of Rps. viridis[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2002,45(6):570-585. |
| APA | Xu, H,Zhang, RB,Qu, ZW,Zhang, XK,&Zhang, QY.(2002).Theoretical studies on the influence of molecular interactions on the mechanism of electron transfer in photosynthetic reaction center of Rps. viridis.SCIENCE IN CHINA SERIES B-CHEMISTRY,45(6),570-585. |
| MLA | Xu, H,et al."Theoretical studies on the influence of molecular interactions on the mechanism of electron transfer in photosynthetic reaction center of Rps. viridis".SCIENCE IN CHINA SERIES B-CHEMISTRY 45.6(2002):570-585. |
入库方式： OAI收割
来源：化学研究所
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