The Study of Quantum Dynamics in Photosystem I and Biologically Inspired Small Molecular Systems.

摘要

Understanding the nature of quantum effects in dense biological systems is of great interest to many scientists today. It seems that the question is not does quantum mechanics dictate biological processes, but rather by how much and to what extent. A big challenge though in this field is how to properly test and model these delicate interactions. It seems clear that the quantum nature of many of these systems is often governed by its surrounding solvent or protein shell, and this interaction is crucial for understanding the full dynamics. This leads to using open quantum system techniques to model the system and its surrounding environment. These quantum processes in biology can also give inspiration for the creation of simpler systems that demonstrate similar properties. These biological analogues can be understood more completely, than their protein counterparts and determining the system-environmental interactions and dynamics can be modeled to a greater extent. The focus of this work is to use quantum master equation formalism to better understand the nature of quantum interactions, specifically electron transfer, for both the biological realm and the small molecular realm. Cyanobacterial photosystem I (PSI) is modeled to try to gain understanding of the nature of the near symmetric two pathways available for electron transfer. Small molecular analogues of PSI are also modeled through multiple master equation techniques to determine how bidirectional electron transport works at a fundamental level.