Hierarchical coarse-graining model for photosystem II including electron and excitation-energy transfer processes

作者：Matsuoka Takeshi^*; Tanaka Shigenori; Ebina Kuniyoshi

来源：Biosystems, 2014, 117: 15-29.

DOI：10.1016/j.biosystems.2013.12.008

• Photosynthesis
• Multi-scale simulation
• Coarse graining
• Excitation-energy transfer
• Electron transfer

We propose a hierarchical reduction scheme to cope with coupled rate equations that describe the dynamics of multi-time-scale photosynthetic reactions. To numerically solve nonlinear dynamical equations containing a wide temporal range of rate constants, we first study a prototypical three-variable model. Using a separation of the time scale of rate constants combined with identified slow variables as (quasi-)conserved quantities in the fast process, we achieve a coarse-graining of the dynamical equations reduced to those at a slower time scale. By iteratively employing this reduction method, the coarse-graining of broadly multi-scale dynamical equations can be performed in a hierarchical manner. We then apply this scheme to the reaction dynamics analysis of a simplified model for an illuminated photosystem II, which involves many processes of electron and excitation-energy transfers with a wide range of rate constants. We thus confirm a good agreement between the coarse-grained and fully (finely) integrated results for the population dynamics.

• 出版日期2014-3