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首页> 外文期刊>Applied Magnetic Resonance >Local structure is critical for superoxide dismutase activity in copper complexes: Relationship between EPR parameters, structure and activity in some sterically hindered copper(II) bis(hydrazono-triazine) complexes
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Local structure is critical for superoxide dismutase activity in copper complexes: Relationship between EPR parameters, structure and activity in some sterically hindered copper(II) bis(hydrazono-triazine) complexes

机译:局部结构对于铜配合物中的超氧化物歧化酶活性至关重要:某些空间受阻的铜(II)双(肼基三嗪)配合物的EPR参数,结构和活性之间的关系

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Electron paramagnetic resonance (EPR) spectrometry and molecular mechanics force field calculations have been performed on some sterically hindered copper(II) complexes with hydrazonotriazine ligands, in order to gain further insight into the relationship between their bonding, structures and biological activity. As was the case with Cu(II) bis(hydrazono-triazine) complexes studied previously, the most stable configuration for all of the complexes involves coordination of two nitrogen and two oxygen atoms (2N2O) in a distorted tetragonal arrangement. With the present complexes, however, the superoxide radical scavenging activities were very low, a result which may be explained by their inability to form a (nearly) square planar structure, which facilitates the copper redox cycling during superoxide dismutation. [References: 28]
机译:电子顺磁共振(EPR)光谱和分子力学力场计算已对某些具有肼基三嗪配体的位阻铜(II)配合物进行了研究,以进一步了解其键合,结构与生物学活性之间的关系。与以前研究的Cu(II)双(肼基三嗪)配合物一样,所有配合物的最稳定构型都涉及两个氮原子和两个氧原子(2N2O)的四边形扭曲配位。然而,对于本发明的配合物,超氧化物自由基的清除活性非常低,其结果可以解释为它们不能形成(几乎)正方形的平面结构,这有助于铜在超氧化物歧化过程中的氧化还原循环。 [参考:28]

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