模拟人工光合反应中心中的光驱动质子泵
Modelling light-driven proton pumps in artificial photosynthetic reaction centers
摘要：
我们研究了人工反应中心中的光致质子泵模型。该模型包含具有四个电子状态的分子三元组（即，一个供体态、两个光敏基团态和一个受体态）以及具有一个电子和一个质子结合位点的分子穿梭。穿梭机在膜的两侧之间扩散，并将质子从膜的负侧向上转移到正侧，为此目的利用光产生的电子电荷分离的能量。利用量子输运理论的方法，我们计算了使光致质子电流和能量转换效率最大化的光强和跨膜电位的范围。我们还研究了温度对质子泵的影响。在我们的模型中的光致质子泵给出了约55%的质子移位的量子产率。因此，我们的研究结果解释了这些人工光合反应中心以前的实验。
英文摘要：
We study a model of a light-induced proton pump in artificial reaction centers. The model contains a molecular triad with four electron states (i.e., one donor state, two photosensitive group states, and one acceptor state) as well as a molecular shuttle having one electron and one proton-binding sites. The shuttle diffuses between the sides of the membrane and translocates protons energetically uphill: from the negative side to the positive side of the membrane, harnessing for this purpose the energy of the electron-charge-separation produced by light. Using methods of quantum transport theory we calculate the range of light intensity and transmembrane potentials that maximize both the light-induced proton current and the energy transduction efficiency. We also study the effect of temperature on proton pumping. The light-induced proton pump in our model gives a quantum yield of proton translocation of about 55 %. Thus, our results explain previous experiments on these artificial photosynthetic reaction centers.
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