2020-08-012024-05-18https://scholars.lib.ntu.edu.tw/handle/123456789/704352摘要：光合作用是地球上最重要的光化學反應，在植物的光合作用過程，葉綠體中的類囊膜上之光合系統負責在光合作用的光反應中提供能量，將光能轉化為化學能，此光反應是光合作用中非常重要的一部分。本研究計劃之目的在建構一個涵蓋完整光合系統的光反應模型，並用以研究高等植物中的光保護現象。此一研究將結合本人實驗室過去累積的經驗以及理論模擬工具，利用最新發表的光合作用系統一與光合作用系統二之高解析度原子結構，建構光合作用系統一與光合作用系統二中能量轉移與電荷分離之有效模型，以描述光捕獲在完整光合系統中之動力學過程。我們也會發展針對能量傳輸網路的粗粒化模型方法，達成針對光合系統的跨尺度模擬，除了光捕獲以外，我們將會在我們的理論模型中引進描述植物體系中針對光照強度變化的化學動力學過程，完整的模擬在類囊膜系統中之光調節過程。這個模型將能允許我們去模擬植物在調適光照條件改變時之葉綠素螢光光譜變化，據以與實驗比較，達成利用我們的模型研究高等植物體系的光調節功能，我們預期此一研究可以真正的將微觀的理論模型與巨觀的植物生理功能做一有意義的連結，以回答許多有關光合系統的重大問題。<br> Abstract: Photosynthesis represents the most important photochemical reaction on earth. In photosynthesis of higher plants, Photosystem I (PSI) and Photosystem II (PSII) in the chloroplast thylakoid membrane work together to collect sunlight and convert the energy into chemical energy that drives chemical synthesis of sugar. This remarkable process, called the light reactions of photosynthesis, plays crucial roles in plant physiology. In this research project, we aim to construct a structure-based model for the complete light reactions in the thylakoid membrane and then use this model to investigate molecular mechanisms of photoprotection. Extending our experience and previously developed theoretical tools for studying excitation energy transfer (EET) and charge separation (CS) processes in photosynthetic systems, we will construct effective exciton models for EET and CS in both PSI and PSII based on recently available high-resolution atomistic structures of the two photosystems to describe the dynamics of light harvesting in the complete thylakoid membrane. Furthermore, we will develop novel theoretical method for network analysis and coarse-graining of disordered EET network in large photosystems to enable multi-scale simulations of the light harvesting process. In addition to the description of light harvesting, chemical kinetics relevant in the regulation of light energy in the thylakoid membrane, naming the non-photochemical quenching and state transition processes, will also be included in our model to achieve a complete description of light-dependent response of the photosystems. We will investigate the photo-regulation mechanisms in plants by simulating the response in chlorophyll fluorescence with respect to varying light conditions and compare to experiments. Because such photoprotection process is crucial in the physiology of plants, we believe this theoretical research can make meaningful connection between microscopic models and biologically relevant precesses to answer many important questions in photosynthesis.光合作用光反應光合系統I光合系統II光捕獲量子主方程式激發態能量轉移電子轉移非光化學淬滅狀態轉移隨機主方程式隨機模擬演算法photosynthesislight reactionsphotosystem Iphotosystem IIlight harvestingquantum master equationexcitation energy transferelectron transfernon-photochemical quenchingstate transitionstochastic master equationstochastic simulation algo