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. 2013 Dec 26;42(6):4094–4099. doi: 10.1093/nar/gkt1344

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© The Author(s) 2013. Published by Oxford University Press.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited.

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Figure 1. — The DNA sequences and the T–Hg^II–T base pair. (a) The DNA oligomers 1, 2 and 3. (B) The DNA duplex 1•2 with residue numbers. The definition of left and right segments is depicted. (c) The control DNA duplex 1•3 with residue numbers. (d) The reaction scheme for T–Hg^II–T base pair formation (the proton–Hg^II exchange reaction) and 2-bond ¹⁵N–¹⁵N J-coupling (²J_NN) (23). (e) The schematic representation of the model used in ONIOM QM/QM calculation of thermodynamic parameters. The DNA(T–T) and DNA(T–Hg^II–T) stand for Hg^II-free and Hg^II-bound three base-paired (3 bp) duplex.