The theoretical studies on the machanism of the primary electron transfer in the photosynthetic reaction center
文献类型：期刊论文
| 作者 | Zhang, XD; Zhang, CX; Ma, SH; Xu, H; Shen, LL; Li, LB; Zhang, XK; Kuang, TY; Zhang, QY |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2001 |
| 卷号 | 59期号:4页码:456-465 |
| 关键词 | Photosynthetic Reaction Center Primary Electron Donor Electron Structure Electronic Transfer B3lyp |
| ISSN号 | 0567-7351 |
| 英文摘要 | The electron structure of the primary electron donor P960 in Rhodopseuodomonas (Rps.) viridis photosynthetic reaction center (RC) and P680 in photosystem II (PS II) RC have been studied with B3LYP DFT quantum chemical ah initio method at 3 - 21G level. The influence of the surrounding proteins and the axial coordination of histindine residues on the electronic structure of the primary electron donor has also been studied. Finally, the mechanism of the primary electron transfer (ET) is discussed. The results indicate: (1) the HOMO of super - molecule P960 - h in bacterial RC mainly consists of atomic orbitals of atoms located at the composition unit M. The corresponding LUMO mainly consists of atomic orbitals of atoms located at both L and M composition units. Both HOMO and LUMO of super - molecule P680 - h in PS II RC mainly consist of atomic orbitals of atoms located at composition unit D1. These calculated results are helpful for understanding the experimental fact that the primary ET in RC of bacterial and PS ii mainly perform along L branch and D1 branch, respectively. (2) Although the His residues, which are axially coordinated to the primary electron donor P960 in the bacterial RC, do not contribute to the compositions of HOMO and LUMO of super - molecule P960 - h, they make the E-LUMO Of P960 - h much greater than that of P960 and greater than those of ABChl and BPheo. This cause the primary ET in bacterial RC to proceed easily. Otherwise, it will be very difficult for the primary E;T to perform. For PSII RC, the case is similar. (3) The distance between the Mg ion in ABChl and the N in the His residues is similar to that between the Mg ion in P960 and the N atom in the corresponding His, so that the His residues coordinating to ABChl must be taken into consideration. At this condition, the primary ET in bacterial RC should be a two - step ET process from P960 - h to BPheo b(L) via ABChl b(L)(h) along the L branch. For PS II RC, there does not exist the axial coordination of His to accessory chlorophyll a (AChl a), which is one of the important difference from the bacterial RC. At this condition, the primary ET in PSII RC should be a one - step process from P680 - h to Pheo a along D1 protein, but the ET process from P680 h to Pheo a via AChl a along D1 protein could not be excluded completely. |
| 语种 | 英语 |
| WOS记录号 | WOS:000168878100002 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/76647]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Zhang, XD |
| 作者单位 | 1.Chinese Acad Sci, State Key Lab Struct Chem Unstable & Stable Speci, Ctr Mol Sci, Inst Chem, Beijing 100080, Peoples R China 2.Chinese Acad Sci, Lab Photosynth Basic Res, Inst Bot, Beijing 100093, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, XD,Zhang, CX,Ma, SH,et al. The theoretical studies on the machanism of the primary electron transfer in the photosynthetic reaction center[J]. ACTA CHIMICA SINICA,2001,59(4):456-465. |
| APA | Zhang, XD.,Zhang, CX.,Ma, SH.,Xu, H.,Shen, LL.,...&Zhang, QY.(2001).The theoretical studies on the machanism of the primary electron transfer in the photosynthetic reaction center.ACTA CHIMICA SINICA,59(4),456-465. |
| MLA | Zhang, XD,et al."The theoretical studies on the machanism of the primary electron transfer in the photosynthetic reaction center".ACTA CHIMICA SINICA 59.4(2001):456-465. |
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来源：化学研究所
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