Complexes of DNA Bases and Gold Clusters Au₃and Au₄Involving Nonconventional N−H···Au Hydrogen Bonding

Abstract

DNA base-gold interactions are studied theoretically at the DFT level using Au(3) and Au(4) clusters as simple catalytic models for Au particles. The bonding between DNA bases and gold clusters occurs via the anchoring of a Au atom to the N or O atoms of the bases. In the most stable planar base-Au(3) complexes, the Au-N or Au-O anchor bonds are reinforced by N-H...Au bonds. The mechanism of formation of these nonconventional H-bonds is discussed.

Interaction of Cytidine 5′‐Monophosphate with Au(111): An In Situ Infrared Spectroscopic Study

“…[56] It has been suggested in several instances [10,11,[61][62][63] that the O(C2) atom is involved in the interaction with the metal surface, and theoretical reports have proposed a non-conventional hydrogen bond between gold and a hydrogen atom from the ÀNH 2 group. [13] Although these interactions could not be unambiguously ruled out, our results do not provide any experimental evidence in favor of these possibilities. The band with the highest contribution from C=O stretching is found at exactly the same wavenumber, that is, at 1728 cm À1 , in the spectra of both adsorbed CMP and dissolved CMP I (see Figure 5).…”

“…[2,3] The self-association properties of nucleic acid components have been investigated at smooth metal surfaces and used to build bidimensional supramolecular assemblies. [4][5][6][7] More recently, the interactions of biomolecules with metal nanoparticles have been the focus of many experimental [8][9][10][11][12] and theoretical [13][14][15][16][17] works because of the great potential of these particles in biochemical diagnostics [18] and cancer therapy. [19] Single-crystal electrode j aqueous interfaces constitute model systems for understanding, at a fundamental level, these interactions.…”

Aurophilicity: The Effect of the Neutral Ligand L on [{ClAuL}2] Systems

“…The possibility has been discussed that auridic gold atoms can function as N À H···Au À hydrogen-bond acceptors [61,62] and traces of this may prevail even for mildly positive Au atoms. It is not obvious how this would show up in the SAPT scheme.…”

Implementation of simple logic gates on gold–ammonia bonding patterns in different charge states

“…[27] As for other complexes between gold clusters and organic molecules that we have previously studied, [28][29][30] excitation can be encoded into binary variables to implement simple logic gates. [34] Each binary input is encoded into a specific bond being 'on' or 'off'.…”