Development of Nonadiabatic Methods for Model Electron Processes in Biomolecules

生物分子中电子过程模型非绝热方法的发展

• 批准号: EP/C532082/1
• 负责人: Garth Jones
• 金额: $ 21.28万
• 依托单位: University of Essex
• 依托单位国家: 英国
• 项目类别: Fellowship
• 财政年份: 2006
• 资助国家: 英国
• 起止时间: 2006 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FC532082%2F1
• 关键词: Development; Nonadiabatic; Methods; Model; Electron

A persuasive argument can be made that electron transfer reactions within and between proteins are the most important on our planet. Photosynthesis and cellular respiration is at the heart of life processes; this cycle is a result of carefully carefully controlled electron transfer within proteins. The importance of electron transfer was marked in 1992 by the award of the Nobel Prize in Chemistry.Up until now, electron transfer in proteins has been theoretically modelled using static estimations of protein structures. At 37 degrees Celsius, body temperature, proteins contain a great amount of thermal energy, and are therefore highly mobile. This mobility can dramatically alter the was in which electron transfer events occur. In order to fully understand what is going on, we must develop a new way to model ET a combination of classical physics and quantum mechanics.This work will be undertaken with collaboration with world leading experimentalists and theoreticians from the University of Essex, London Imperial, and the University of California, San Diego

一个有说服力的论点是，蛋白质内部和蛋白质之间的电子转移反应是我们这个星球上最重要的。光合作用和细胞呼吸是生命过程的核心;这个循环是仔细控制蛋白质内电子转移的结果。1992年诺贝尔化学奖的颁发标志着电子转移的重要性。到目前为止，蛋白质中的电子转移一直是用蛋白质结构的静态估计进行理论建模的。在37摄氏度的体温下，蛋白质含有大量的热能，因此具有高度移动的。这种迁移率可以显著改变电子转移事件发生的区域。为了充分理解发生了什么，我们必须开发一种结合经典物理学和量子力学的新方法来模拟ET。这项工作将与来自伦敦帝国埃塞克斯大学和加州大学圣地亚哥分校的世界领先的实验学家和理论家合作进行