A New Type of Electron Relay Station in Proteins: Three-Piece S:Π∴S↔S∴Π:S Resonance Structure.
A New Type of Electron Relay Station in Proteins: Three-Piece S:Π∴S↔S∴Π:S Resonance Structure.
复制标题
蛋白质中的一种新型电子中继站：三片式S:Î – S–S–Î :S 共振结构。
DOI：
10.1021/jp512628x
复制
发表时间：
2015
期刊：
影响因子：
--
通讯作者：
Gao,Jiali
中科院分区：
文献类型：
--
作者：
Sun,Weichao;Shao,Mengyao;Ren,Haisheng;Xiao,Dong;Qin,Xin;Deng,Li;Chen,Xiaohua;Gao,Jiali
本文介绍了蛋白质中电子传递的一种中继站--三片五电子键，这也是首次提出。从头计算预测形成的S：CHS ParticipS CHS：S共振结合的芳香环位于中间的两个含硫基团，这可能参与在蛋白质中的电子-空穴传输。这些特殊的结构可以降低局域电离能，有效地捕获电子空穴，并且由于它们具有适当的结合能，容易形成和破坏。此外，紫外-可见光谱提供了形成三件五电子结合的证据。三个相邻片的配合可能有利于促进电子转移更长的距离。
A type of relay station for electron transfer in proteins, three-piece five-electron bonding, is introduced in this paper, which is also first proposed here. The ab initio calculations predict the formation of S:Π∴S↔S∴Π:S resonance binding with an aromatic ring located in the middle of two sulfur-containing groups, which may participate in electron-hole transport in proteins. These special structures can lower the local ionization energies to capture electron holes efficiently and may be easily formed and broken because of their proper binding energies. In addition, the UV–vis spectra provide evidence of the formations of the three-piece five-electron binding. The cooperation of three adjacent pieces may be advantage to promote electron transfer a longer distance.