Acta Phys. -Chim. Sin. ›› 2006, Vol. 22 ›› Issue (02): 167-171.doi: 10.3866/PKU.WHXB20060208

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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

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