To Nano‐Biochemistry: Picture of the Interactions of DNA with Gold

Kryachko, Eugene S.

doi:10.1002/9783527629213.ch8

Cited by 2 publications

(1 citation statement)

References 309 publications

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“…The first works on the topic were carried on by Kryacho et al [56][57][58][59][60][61][62]. In their first paper, the authors regard on the properties of small neutral gold clusters with isolated nucleobases.…”

Section: Metal-dna Interaction: Historical Pathmentioning

confidence: 99%

On the interaction between gold and silver metal atoms and DNA/RNA nucleobases – a comprehensive computational study of ground state properties

Leal

Lopez-Acevedo

2015

Nanotechnology Reviews

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On the interaction between gold and silver metal atoms and DNA/RNA nucleobasesa comprehensive computational study of ground state properties Abstract: The interaction between metal atoms and nucleobases has been a topic of high interest due to the wide scientific and technological implications. Combining density functional theory simulations with a literature overview, we achieved an exhaustive study of the ground state electronic properties of DNA/RNA nucleobases interacting with gold and silver atoms at three charge states: neutral, cationic, and anionic. We describe the nature of the stability and electronic properties in each hybrid metallic structure. In addition to the metal interacting with the five isolated nucleobases, we included their respective DNA-WC base pairs and one case with the protonated sugarphosphate backbone. As a general trend, we discerned that the energetic ordering of isomers follows simple electrostatic rules as expected from previous studies. Also, we found that although the metal localizes almost all of the extra charge in the anionic system, a donation of charge is shared almost equally in the cationic system. Furthermore, the frontier orbitals of the cationic system tend to have more effects from the pairing and inclusion of the backbone than the anionic system. Finally, the electronic gap varies greatly among all of the considered structures and could be further used as a fingerprint when searching DNA-metal hybrid structures. -Acevedo: DNA/RNA nucleobases interacting with gold and silver atoms 191 University, Finland. Her research interest focuses on the quantum modeling of hybrid soft-nano systems and the development of computational methods for multi-scale simulations. She obtained her Bachelor's and Master's degrees in physics from the University of Strasbourg, France. In 2006, she obtained a PhD in theoretical physics working on quantum algorithmics from the University of Cergy-Pontoise, France. Her postdoctoral experience includes stays at

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