Hydrogen Production from Water by Photosynthesis System I for Use as Fuel in Energy Conversion Devices (a.k.a. Understanding Photosystem I as a Biomolecular Reactor for Energy Conversion)
Final rept. 1 Oct 2010-1 Oct 2013
ARMY RESEARCH LAB ADELPHI MD SENSORS AND ELECTRON DEVICES DIRECTORATE
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In this program we have developed a solid-state device with an immobilized Photo System I PSI to generate H2 from H2O. We used a three-prong approach, which includes 1 genetic engineering of PSI to remove or modify specific regions to enable coupling of the PSI active site and electrode surface and improve electron transfer to PSI through modifications to cytochrome, and increase PSI packing and minimize dead space on surfaces by monomerizing PSI 2 self- or assisted-assembly of PSI onto various engineered electrode surfaces using self-assembled monolayers SAMs and redox polymers and their photo-electrochemistry and 3 computational analysis of PSI and proposed modifications to optimize surface binding and electron transfer. The computational approach incorporates coarse- and fine-grained docking to study protein-protein and protein-surface interactions coarse-grained CG molecular dynamics MD for extended studies of the PSI complex all atom AA molecular dynamics to study thermal relaxation of the PSI complex and protein-protein interactions and quantum mechanics QM to study electron transport phenomenon.