今日化学系列报告 第14讲: Designed laser quantum control of enzyme reactivity
创建时间：  2009/10/26  李敏杰   浏览次数：   返回


    题目： Designed laser quantum control of enzyme reactivity
    报告人： Dr. Qinghua Ren (Department of pure and applied chemistry, University of Strathclyde, Glasgow, G1 1XL, UK)
    时间： 2009.11.4 （星期三）上午10:00
    地点： 化学楼HA101
    主办部门： 化学系
    报告人简介： Designed specific excitation of reactions within enzymes would open a new avenue in the molecular-level control of biochemical catalysis. Short laser pulses can be designed to bring about desired changes in the quantum states and geometries of molecules. Optimal Control theory provides a mechanism for achieving this design process. Quantum tunnelling dominates the rate-determining proton transfer step in the oxidative deamination of tryptamine catalysed by aromatic amine dehydrogenase (AADH). We use mixed Quantum Mechanical Molecular Mechanics (QM/MM) methods to compute the potential energy and dipole moment surfaces governing the motion of the labile proton in the substrate complex. Optimal Control theory and time-dependent quantum dynamics are then used to theoretically design infra-red laser pulses to selectively alter the quantum state of the labile proton. Here we demonstrate the feasibility of using designed laser pulses to control an enzyme catalysed process and to influence the rates of quantum tunnelling. Laser pulses may in the future provide a valuable adjunct to other experimental techniques for studying the mechanism of enzyme catalysed reactions.

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