Seminar: DNA BASE PAIRING BY NOBLE METALS: STRUCTURE AND ELECTRONIC PROPERTIES FROM DENSITY FUNCTIONAL THEORY
This Thursday, there will be a seminar given by Olga Lopez-Acevedo (visiting group of Carme Rovira) from the COMP Center of Excellence in Computational Nanoscience and Department of Applied Physics, Aalto University
Title: “DNA BASE PAIRING BY NOBLE METALS: STRUCTURE AND ELECTRONIC PROPERTIES FROM DENSITY FUNCTIONAL THEORY”
Time: 12:00
Date: Thursday, 16th July
Place: Sala d’Actes, department of Physical Chemistry.
Abstract:
Metallo-base pair interactions are two to three times larger than the conventional hydrogen-bond pair interaction. Such high stability can drive the formation of helices and higher-order structures with the possibility to design novel DNA-based nanomaterials [1]. Nucleobases and noble metal atoms (Au,Ag) have wide range of possible interacting sites depending on both the metal charge (ion, cation or neutral) and chemical nature [2]. I will overview the electronic properties, both ground state and optical, of metallo-DNA structures obtained by Density Functional Theory, discussing
the effect of pairing and inclusion of backbone on the metal-base elementary unit [3]
1. T. Biver, Coordination Chemistry Reviews, 257, 27-65 (2013)
2. L. Espinosa Leal and O. Lopez-Acevedo, Nanotechnology Reviews, 4, 2, 173 (2015)
3. S. M. Swasey, L. Espinosa Leal, O. Lopez-Acevedo, J. Pavlovich, E. G. Gwinn, Scientific Reports 5, 1-9 (2015)