自组装集光阵列的最佳效率
Optimal Efficiency of Self-Assembling Light-Harvesting Arrays
摘要：
使用描述给定晶格上的能量转移的经典主方程，我们探索了能量转移效率以及光子捕获能力如何取决于网络连接性、转移速率和体积分数-荧光发色团组分的数量和相对比例，例如，供体（D）、受体（A）和桥（B）发色团。对于一维AD阵列，当自发衰减足够慢时，效率的精确解析表达式显示出随着D到A传输速率的急剧增加。这一结果表明，B生色团的引入可以是一种有用的方法，用于提高效率的双组分AD系统与低效的D到A的转移和缓慢的自发衰减。这个一维系统的分析可以扩展到更高维的系统与生色团排列的结构，如螺旋或堆叠盘杆，模型的自组装单体的烟草花叶病毒外壳蛋白。对于叠盘杆，我们观察到：（1）当位置间距固定时，交错构象比重叠构象更有效。(2)对于给定的A和D发色团的比例，受体的均匀分布，最大限度地减少平均首次通过时间的受体是一个关键点，设计的最佳网络的供体-受体系统具有相对较小的D-到-A的转移率。(3)对于具有大的B到A转移速率的三组分ABD体系，关键的设计策略是根据从D到B到A发色团的定向能量流来增加途径的数量。
英文摘要：
Using a classical master equation that describes energy transfer over a given lattice, we explore how energy transfer efficiency along with the photon capturing ability depends on network connectivity, on transfer rates, and on volume fractions - the numbers and relative ratio of fluorescence chromophore components, e.g., donor (D), acceptor (A), and bridge (B) chromophores. For a one-dimensional AD array, the exact analytical expression for efficiency shows a steep increase with a D-to-A transfer rate when a spontaneous decay is sufficiently slow. This result implies that the introduction of B chromophores can be a useful method for improving efficiency for a two-component AD system with inefficient D-to-A transfer and slow spontaneous decay. Analysis of this one-dimensional system can be extended to higher-dimensional systems with chromophores arranged in structures such as a helical or stacked-disk rod, which models the self-assembling monomers of the tobacco mosaic virus coat protein. For the stacked-disk rod, we observe the following: (1) With spacings between sites fixed, a staggered conformation is more efficient than an eclipsed conformation. (2) For a given ratio of A and D chromophores, the uniform distribution of acceptors that minimizes the mean first passage time to acceptors is a key point to designing the optimal network for a donor-acceptor system with a relatively small D-to-A transfer rate. (3) For a three-component ABD system with a large B-to-A transfer rate, a key design strategy is to increase the number of the pathways in accordance with the directional energy flow from D to B to A chromophores.
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