Formation of a Thymine‐HgII‐Thymine Metal‐Mediated DNA Base Pair: Proposal and Theoretical Calculation of the Reaction Pathway

作者: Jakub Šebera , Jaroslav Burda , Michal Straka , Akira Ono , Chojiro Kojima

DOI: 10.1002/CHEM.201300460

关键词: ThymineChemical bondMetalationCrystallographyONIOMStereochemistryTitrationReaction mechanismDeprotonationChemistryNucleobase

摘要: … These experimental data enabled us to propose and calculate the mechanistic pathway for the formation of the T-Hg II -T DNA base pair in this study. Our aim was to obtain a reliable …

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