Details

Autor(en) / Beteiligte

• Brüggemann, B
• Sznee, K
• Novoderezhkin, V
• van Grondelle, R
• May, V

Titel

From Structure to Dynamics:  Modeling Exciton Dynamics in the Photosynthetic Antenna PS1

Ist Teil von

• The journal of physical chemistry. B, 2004-09, Vol.108 (35), p.13536-13546

Ort / Verlag

American Chemical Society

Erscheinungsjahr

2004

Link zum Volltext

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• Frequency domain spectra of the photosystem I (PS1) of Synechococcus elongatus are measured in a wide temperature range and explained in an exciton model based on the recently determined X-ray crystal structure. Using the known spatial positions and orientations of the chlorophylls (Chls) the dipole−dipole couplings between the chromophores are calculated. In contrast, the Chl Q y site energies are determined by a simultaneous fit of low-temperature absorption, linear dichroism, and circular dichroism spectra. The best fit is achieved by an evolutionary algorithm after assigning some chromophores to the red-most states. Furthermore, a microscopically founded homogeneous line width is included and the influence of inhomogeneous broadening is discussed. To confirm the quality of the resulting PS1 model, time-dependent fluorescence spectra are calculated, showing a good agreement with recent experimental results.