物理化学学报 >> 2006, Vol. 22 >> Issue (02): 167-171.doi: 10.3866/PKU.WHXB20060208

研究论文 上一篇    下一篇

多组分丝素蛋白-Cu(II)配合物的EPR谱解析

胡炳文; 赵学舟; 宗小红; 周平   

  1. 复旦大学高分子科学系, 聚合物分子工程教育部重点实验室, 上海 200433
  • 收稿日期:2005-08-02 修回日期:2005-09-26 发布日期:2006-01-22
  • 通讯作者: 周平 E-mail:pingzhou@fudan.edu.cn

EPR Spectral Simulation for Silk Fibroin-Cu(II) Complexes with Multiple Components

HU Bing-wen; ZHAO Xue-zhou; ZONG Xiao-hong; ZHOU Ping   

  1. The Key Laboratory of Molecular Engineering of Polymers of Ministry of Education, Department of Macromolecular Science, Fudan University, Shanghai 200433, P. R. China
  • Received:2005-08-02 Revised:2005-09-26 Published:2006-01-22
  • Contact: ZHOU Ping E-mail:pingzhou@fudan.edu.cn

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摘要： 基于二阶微扰理论建立了对具有超精细耦合结构的多组分复杂EPR(顺磁共振)谱的解析拟合方法, 并以丝素蛋白-Cu(II)配合物的EPR谱为例进行解析分析, 从而有效地解释了Cu(II)离子在蚕吐丝过程中的作用. 该方法和应用程序能为类似问题的解决(如Fe(II)、Mn(II)、V(III)及其它顺磁性离子配合物EPR谱的解析)提供方便.

关键词: 顺磁共振(EPR), 解析, 配合物, Cu(II), 丝素蛋白

Abstract: The simulation for electronic paramagnetic resonance (EPR) spectrum with hyperfine couplings as well as multiple coordination components is often difficult. Here we develop a simulation approach based on the second-order perturbation theory to address these issues. The EPR spectral simulations of the silk fibroin-Cu(II) complexes are taken as examples to illustrate this approach, efficiently revealing the function of Cu(II) in the spinning process of silkworm. In addition, this approach would be useful for the EPR simulations of complexes containing Fe(II), Mn(II), V(III) and other paramagnetic ions.

Key words: Electronic paramagnetic resonance, Simulation, Complex, Cu(II), Silk fibroin