Protein Vibration Effects on Primary Electron Transfer Dynamics in Rhodobacter sphaeroides Photosynthetic Reaction Center,The Journal of Physical Chemistry B

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Protein Vibration Effects on Primary Electron Transfer Dynamics in Rhodobacter sphaeroides Photosynthetic Reaction Center
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2017-11-16 00:00:00 , DOI: 10.1021/acs.jpcb.7b09321
Vladimir V. Poddubnyy ₁ , Ilya O. Glebov ₁ , Vadim V. Eremin ₁

Affiliation

Primary electron transfer (ET) in the chromophore subsystem in a bacterial reaction center (RC) is a unique process, and is coupled with the protein motion, which, like the ET, is caused by photoexcitation of these chromophores. ET is also coupled with dissipative processes, which are caused by interaction between chromophores and vibrations of its surrounding protein. We propose a new dynamics calculation method that accounts for both these effects of protein vibrations. Within this method, the photoinduced protein motion causes an addition of coherent component to the ET rate. We performed dynamics calculation using this method and parameters, which were determined from the ab initio wave functions of the chromophore subsystem and protein normal vibrational modes. We showed that it is this protein motion that causes oscillations in the time-dependencies of stimulated emission intensities and of absorption at 1020 nm. Moreover, the latter oscillations are related to the coherent component of the ET rate.

中文翻译：

蛋白质振动对球形红细菌光合反应中心初级电子传递动力学的影响

细菌反应中心（RC）的生色团子系统中的一次电子传递（ET）是一个独特的过程，并与蛋白质运动耦合，就像ET一样，这些运动是由这些生色团的光激发引起的。ET也伴随着耗散过程，这是由发色团之间的相互作用及其周围蛋白质的振动引起的。我们提出了一种新的动力学计算方法，该方法考虑了蛋白质振动的所有这些影响。在这种方法中，光诱导的蛋白质运动导致ET速率增加了相干成分。我们使用这种方法和参数进行了动力学计算，这些方法是从生色团子系统的从头算波函数和蛋白质正常振动模式确定的。我们表明正是这种蛋白质运动引起了受激发射强度和在1020 nm处吸收的时间依赖性振荡。此外，后者的振荡与ET速率的相干分量有关。

更新日期：2017-11-16

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