光敏黄色蛋白的二维红外光谱和受激共振拉曼光谱模拟
Simulations of Two-dimensional Infrared and Stimulated Resonance Raman Spectra of Photoactive Yellow Protein.
作者信息
Preketes Nicholas K, Biggs Jason D, Ren Hao, Andricioaei Ioan, Mukamel Shaul
出版信息
Chem Phys. 2013 Aug 1;422. doi: 10.1016/j.chemphys.2012.09.002.
Abstract
We present simulations of one and two-dimensional infrared (2DIR) and stimulated resonance Raman (SRR) spectra of the dark state (pG) and early red-shifted intermediate (pR) of photoactive yellow protein (PYP). Shifts in the amide I and Glu46 COOH stretching bands distinguish between pG and pR in the IR absorption and 2DIR spectra. The one-dimensional SRR spectra are similar to the spontaneous RR spectra. The two-dimensional SRR spectra show large changes in cross peaks involving the C=O stretch of the two species and are more sensitive to the chromophore structure than 2DIR spectra.
摘要
我们展示了光活性黄色蛋白（PYP）暗态（pG）和早期红移中间体（pR）的一维和二维红外（2DIR）光谱以及受激共振拉曼（SRR）光谱的模拟结果。酰胺I和Glu46 COOH伸缩带的位移在红外吸收光谱和2DIR光谱中区分了pG和pR。一维SRR光谱与自发拉曼光谱相似。二维SRR光谱显示出涉及这两种物质C=O伸缩的交叉峰有很大变化，并且比2DIR光谱对发色团结构更敏感。
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