Non-Equilibrium Isomer Distribution of the Gas-Phase Photoactive Yellow Protein Chromophore
Non-Equilibrium Isomer Distribution of the Gas-Phase Photoactive Yellow Protein Chromophore
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DOI：
10.1021/jz300780t
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发表时间：
2012-08-16
影响因子：
5.7
通讯作者：
Oomens, Jos
中科院分区：
文献类型：
--
作者：
Almasian, Mitra;Grzetic, Josipa;Oomens, Jos
对香豆酸的共轭碱是光活性黄色蛋白生色团常用的模型体系，它可通过电喷雾电离（ESI）在气相中方便地产生。在此我们报道了它的气相红外光谱，该光谱表明阴离子很容易形成羧酸盐结构，其能量比全局最小的酚盐结构高60 kJ/mol。使用干燥的乙腈作为溶剂，通过ESI可以产生在生物学上更相关的酚盐异构体。
The conjugate base of para-coumaric acid, which can be conveniently generated in the gas phase by electrospray ionization (ESI), is a commonly used model system for the chromophore of the photoactive yellow protein. Here we report its gas phase IR spectrum, which shows that the anion easily adopts a carboxylate structure lying 60 kJ/mol higher in energy than the global minimum phenoxide structure. Generation of the biologically more relevant phenoxide isomer by ESI can be achieved using dry acetonitrile as solvent.