Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan.
Chemphyschem. 2011 Dec 9;12(17):3106-15. doi: 10.1002/cphc.201100452. Epub 2011 Oct 11.
Depending on protein environment, a single photofunctional chromophore shows a wide variation of photoabsorption/emission energies. This photobiological phenomenon, known as color tuning, is observed in human visual cone pigments, firefly luciferase, and red fluorescent protein. We investigate the origin of color tuning by quantum chemical calculations on the excited states: symmetry-adapted cluster-configuration interaction (SAC-CI) method for excited states and a combined quantum mechanical (QM)/molecular mechanical (MM) method for protein environments. This Minireview summarizes our theoretical studies on the above three systems and explains a common feature of their color-tuning mechanisms. It also discuss the possibility of artificial color tuning toward a rational design of photoabsorption/emission properties.
取决于蛋白质环境，单一光功能生色团表现出广泛的光吸收/发射能量变化。这种光生物现象，即颜色调谐，在人类视锥色素、萤火虫荧光素酶和红色荧光蛋白中观察到。我们通过对激发态的量子化学计算来研究颜色调谐的起源：激发态的对称自适应簇构型相互作用（SAC-CI）方法和蛋白质环境的量子力学（QM）/分子力学（MM）组合方法。这篇综述总结了我们对上述三个系统的理论研究，并解释了它们颜色调谐机制的共同特征。它还讨论了人工颜色调谐的可能性，以实现对光吸收/发射性质的合理设计。
