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Structure-Dynamics Relation in Physically-Plausible Multi-Chromophore Systems.

George C Knee, Patrick Rowe1, Luke D Smith

  • 1London Centre for Nanotechnology, Thomas Young Centre, and Department of Physics and Astronomy, University College London , 17-19 Gordon Street, London WC1H 0AH, United Kingdom.

The Journal of Physical Chemistry Letters
|May 6, 2017
PubMed
Summary
This summary is machine-generated.

The Fenna-Matthews-Olson complex (FMO) is highly optimized for efficient energy transport. Computational analysis reveals that compact structures with specific chromophore orientations enhance quantum transport within the FMO complex.

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Area of Science:

  • * Biophysics and Quantum Mechanics
  • * Computational Chemistry
  • * Photosynthetic Energy Transfer

Background:

  • * The Fenna-Matthews-Olson (FMO) complex is crucial for light-harvesting in green sulfur bacteria.
  • * Understanding the structural basis of efficient exciton transport in FMO is key to bio-inspired energy technologies.
  • * Previous studies suggest natural selection may have optimized FMO structure for energy transfer.

Purpose of the Study:

  • * To computationally investigate the relationship between structural arrangements and exciton transport efficiency in the FMO complex.
  • * To determine if the natural FMO structure is evolutionarily tuned for optimal quantum transport.
  • * To identify key structural motifs that correlate with high energy transport performance.

Main Methods:

  • * Generation of numerous physically plausible chromophore arrangements using stochastic real-space transformations.
  • * Calculation of excitonic couplings using an atomic transition charge method.
  • * Simulation of quantum exciton transport from a source to a drain chromophore using a Lindblad master equation.

Main Results:

  • * Significant correlations found between structural organization and energy transport efficiency.
  • * More compact FMO structures generally exhibit higher transport efficiency.
  • * Optimal structures feature specific chromophore orientations, particularly near the source-to-drain pathway.

Conclusions:

  • * The FMO complex is highly adapted for efficient energy transport under realistic physical constraints.
  • * Specific structural features, such as compactness and chromophore orientation, are critical for optimizing quantum transport.
  • * These findings support the hypothesis of evolutionary tuning for efficient energy transfer in biological systems.