X-波段电子顺磁共振的微观有序宏观无序谱分析

The Microscopic Ordering and Macroscopic Disorder Spectra Analysis of X-Band Electronic Paramagnetic Resonance

相关时间和序参量是表征自旋探针标记大分子运动与分布的两个重要参数。用合适的物理模型,通过线型分析同时确定这些参数在电子顺磁共振谱的解析中非常有意义。文章应用微观有序宏观无序(MO-MD)模型,在X-波段对具有轴对称磁参量自旋探针的EPR谱进行了模拟计算,测量了波形的实验参数,比较了与经验公式分析的误差。对于MOMD谱,作者提出了分辨标准来筛选实验参数进行线型分析,以此确定了同时解析相关时间及内部序参量的有效区间。

The correlation time and S order parameter are two important parameters to characterize the moving and distribution of the spin labeled macromolecule. It is significant to determine them simultaneously by lineshape analysis with an appropriate physics model for EPR spectrum analysis. In the present paper, the microscopic ordering and macroscopic disorder model （MOMD） was adopted to simulate the X-band EPR spectra of spin label with axial symmetric magnetic tensors. The experimental parameters were measured, and the divergence between the real values and the empirical values was analyzed. For MOMD spectra the authors proposed a criteria to select the experimental parameters. With the selected parameters, the correlation time and the internal S order parameter could be obtained simultaneously. And the valid range determined by the recognition function is presented.