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Oscillations of the energy gap for the initial electron-transfer step in bacterial reaction centers

Authors
  • Parson, William W.1
  • Chu, Zhen Tao2
  • Warshel, Arieh2
  • 1 University of Washington, Department of Biochemistry, Seattle, WA, 98195-7350, USA , Seattle
  • 2 University of Southern California, Department of Chemistry, Los Angeles, CA, 90007, USA , Los Angeles
Type
Published Article
Journal
Photosynthesis Research
Publisher
Kluwer Academic Publishers
Publication Date
Mar 01, 1998
Volume
55
Issue
2-3
Pages
147–152
Identifiers
DOI: 10.1023/A:1005992121305
Source
Springer Nature
Keywords
License
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Abstract

Oscillations in the electrostatic energy gap [ΔVelec(t)] for electron transfer from the primary electron donor (P) to the adjacent bacteriochlorophyll (B) in photosynthetic bacterial reaction centers are examined by molecular-dynamics simulations. Autocorrelation functions of ΔVelec in the reactant state (PB) include prominent oscillations with an energy of 17 cm−1. This feature is much weaker if the trajectory is propagated in the product state P+B−. The autocorrelation functions also include oscillations in the regions of 5, 80 and 390 cm−1 in both states, and near 25 and 48 cm−1 in P+B−. The strong 17-cm−1 oscillation could involve motions that modulate the distance between P and B, because a similar oscillation occurs in the direct electrostatic interactions between the electron carriers.

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