J. Gu, Jing Wang, J. Leszczynski
Sep 13, 2007
Citations
0
Influential Citations
5
Citations
Journal
Chemical Physics Letters
Abstract
Abstract Isoguanine (2-oxo-6-amino-guanine, isoG) can form the higher-order self-pairing ionophore structures by regulating the concentration of metal ions. The metal ion coordinated isoG-tetrads adopt bowl-like shape with the metal ion located at the bottom of the bowl. The present study of the formation of the H-bonded octamers ((isoG 4 –M + ) 2 ; M + = Na + , K + ) illustrates that the bowl-shaped isoG 4 –M + complexes are able to form the extraordinary ball-shaped octamers (isoG 4 –M + ) 2 H-bonded through the H(N6) and N7 sites. A moderate energy barrier predicted for the process of separating the ball-shaped octamer into two bowl-shaped tetrads and the unique structural features of the octamer suggests a possibility towards construction of the self-assembled isoG nanostructures.