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- W2003294639 abstract "The nature of the DNA-gold interaction determines and differentiates the affinity of the nucleobases (adenine, thymine, guanine, and cytosine) to gold. Our preliminary computational study [Kryachko, E. S.; Remacle, F. Nano Lett. 2005, 5, 735] demonstrates that two major bonding factors govern this interaction: the anchoring, either of the Au-N or Au-O type, and the nonconventional N-H...Au hydrogen bonding. In this paper, we offer insight into the nature of nucleobase-gold interactions and provide a detailed characterization of their different facets, i.e., geometrical, energetic, and spectroscopic aspects; the gold cluster size and gold coordination effects; proton affinity; and deprotonation energy. We then investigate how the Watson-Crick DNA pairing patterns are modulated by the nucleobase-gold interaction. We do so in terms of the proton affinities and deprotonation energies of those proton acceptors and proton donors which are involved in the interbase hydrogen bondings. A variety of properties of the most stable Watson-Crick [A x T]-Au3 and [G x C]-Au3 hybridized complexes are described and compared with the isolated Watson-Crick A x T and G x C ones. It is shown that enlarging the gold cluster size to Au6 results in a rather short gold-gold bond in the Watson-Crick interbase region of the [G x C]-Au6 complex that bridges the G x C pair and thus leads to a significant strengthening of G x C pairing." @default.
- W2003294639 created "2016-06-24" @default.
- W2003294639 creator A5008322955 @default.
- W2003294639 creator A5072743663 @default.
- W2003294639 date "2005-11-08" @default.
- W2003294639 modified "2023-10-16" @default.
- W2003294639 title "Complexes of DNA Bases and Watson−Crick Base Pairs with Small Neutral Gold Clusters" @default.
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- W2003294639 doi "https://doi.org/10.1021/jp054708h" @default.
- W2003294639 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16853964" @default.
- W2003294639 hasPublicationYear "2005" @default.
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