球形红细菌R26反应中心中球形烯的两种立体异构体：共振拉曼光谱的密度泛函理论分析
Two stereoisomers of spheroidene in the Rhodobacter sphaeroides R26 reaction center: a DFT analysis of resonance Raman spectra.
作者信息
Wirtz A C, van Hemert M C, Lugtenburg J, Frank H A, Groenen E J J
机构信息
Molecular Nano-Optics and Spins, Huygens Laboratory, Gorlaeus Laboratories, Leiden Institute of Chemistry, Leiden University, Leiden, The Netherlands.
出版信息
Biophys J. 2007 Aug 1;93(3):981-91. doi: 10.1529/biophysj.106.103473.
Abstract
From a theoretical analysis of the resonance Raman spectra of 19 isotopomers of spheroidene reconstituted into the reaction center (RC) of Rhodobacter sphaeroides R26, we conclude that the carotenoid in the RC occurs in two configurations. The normal mode underlying the resonance Raman transition at 1239 cm(-1), characteristic for spheroidene in the RC, has been identified and found to uniquely refer to the cis nature of the 15,15' carbon-carbon double bond. Detailed analysis of the isotope-induced shifts of transitions in the 1500-1550 cm(-1) region proves that, besides the 15,15'-cis configuration, spheroidene in the RC adopts another cis-configuration, most likely the 13,14-cis configuration.
摘要
通过对重构到球形红杆菌R26反应中心（RC）中的19种类异戊二烯球型烯同位素异构体的共振拉曼光谱进行理论分析，我们得出结论，RC中的类胡萝卜素以两种构型存在。在1239 cm⁻¹处的共振拉曼跃迁的基频模式是RC中球型烯的特征，已被识别并发现它唯一地指的是15,15'碳 - 碳双键的顺式性质。对1500 - 1550 cm⁻¹区域跃迁的同位素诱导位移的详细分析证明，除了15,15'-顺式构型外，RC中的球型烯还采用另一种顺式构型，最有可能是13,14-顺式构型。
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