Ab initio modeling of primary processes in photosynthesis : protein induced activation of bacteriochlorophylls for efficient light harvesting and charge separation

Everything started in 1780 when Joseph Priestley, an English chemist, enclosed a mint plant and a burning candle in a glass jar. Surprisingly, the candle burned without interruption, even though in earlier experiments it was extinguished quickly when no plant was present in the jar. Now, 230 years later, we know a lot more about photosynthesis, but still many details, like the origin of the functional asymmetry in bacterial reaction centers, remain unknown. Thus, the work presented in this dissertation focuses on the functional asymmetry and the role of bacteriochlorophylls a__protein interactions in the bacterial reaction center and light harvesting complex II. A detailed understanding of those processes may provide a significant insight as to the nature and functioning mechanism of the solar energy conversion machinery. This knowledge will be beneficial for the development of artificial photosynthetic devices, which would facilitate the solution of the global energy problem.This work was supported by the Netherlandse Organisatie voor Wetenschappelijk Onderzoek (NWO) through a TOP Grant on ‘Ultrahigh field solid-state NMR of photosynthesis and artificial photosynthetic energy conversion systems’. The use of supercomputer facilities was sponsored by the Stichting Nationale Computerfaciliteiten (NCF), with financial support from the Netherlandse Organisatie voor Wetenschappelijk OnderzoekUBL - phd migration 201

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