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Cover Image, Volume 39, Issue 3
Journal of Computational Chemistry ( IF 3.4 ) Pub Date : 2017-12-05 , DOI: 10.1002/jcc.25128


Heme is involved in various biochemical roles in hemoproteins. On page 143, Y. Imada, H. Nakamura, and Y. Takano systematically investigated the effect of heme distortion on the redox potential with density functional calculations. Ruffled distortion tended to reduce the redox potential of heme and transition of the electronic configuration occurred. In contrast, the saddled distortion had a tendency toward an increase in redox potential, and no transition of electronic configuration occurred. In experiments, these tendencies were found in the relationship between heme distortions and redox potentials in cytochrome c3. (DOI: 10.1002/jcc.25058)
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中文翻译:

封面图片,第39卷,第3期

血红素参与了血红蛋白的各种生化作用。在第143页上,Y。Imada,H。Nakamura和Y. Takano通过密度泛函计算系统地研究了血红素畸变对氧化还原电势的影响。皱纹畸变倾向于降低血红素的氧化还原电势,并且发生电子构型的转变。相反,鞍形畸变具有氧化还原电势增加的趋势,并且没有发生电子构型的转变。在实验中,这些趋势是在细胞色素c3中血红素畸变和氧化还原电位之间的关系中发现的。(DOI:10.1002 / jcc.25058)
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更新日期:2017-12-05
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