聚(A)-聚(T) DNA 发夹中电荷分离的动力学。
Kinetics of charge separation in poly(A)-poly(T) DNA hairpins.
机构信息
Department of Chemistry, Tulane University, New Orleans, Louisiana 70118, USA.
出版信息
J Phys Chem B. 2010 May 20;114(19):6732-9. doi: 10.1021/jp101328t.
A kinetics model is designed to investigate the charge separation (CT) process in stilbene-capped DNA hairpins composed of AT base pairs. This model combines standard tunneling and hopping electron transport with exciplex formation upon photoexcitation of the acceptor stilbene and its neighboring adenine and is capable of interpreting the CT rate and yield data within experimental accuracy. An analysis of hopping transport within the framework of a 1-D diffusion model results in a calculation of the nearest-neighbor CT rate to be approximately 1.2 ns(-1). In agreement with previous experimental and theoretical work, it is ascertained through a novel application of an extension to classical Marcus theory that the nearest-neighbor CT is adiabatic with reorganization energy lambda approximately 0.83 eV. The kinetics model can be extended to accurately characterize CT in other poly(A)-poly(T) systems with different hole donors (naphthaldiimide and 2-aminopurine) and acceptors (phenothiazine and guanine).
设计了一个动力学模型来研究由 AT 碱基对组成的二苯乙烯封端 DNA 发夹中的电荷分离 (CT) 过程。该模型将标准隧道和电子跳跃输运与受体二苯乙烯及其相邻腺嘌呤的激子形成相结合，能够以实验精度解释 CT 速率和产率数据。在一维扩散模型框架内对跳跃输运的分析导致计算得到的最近邻 CT 速率约为 1.2 ns(-1)。通过对经典 Marcus 理论的扩展的新应用，可以确定与以前的实验和理论工作一致，最近邻 CT 是绝热的，重组能 lambda 约为 0.83 eV。该动力学模型可以扩展到其他具有不同空穴供体（萘二酰亚胺和 2-氨基嘌呤）和受体（吩噻嗪和鸟嘌呤）的多(A)-多(T)系统中，以准确地描述 CT。
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