Next Article in Journal
Oxidation of CO and Methanol on Pd-Ni Catalysts Supported on Different Chemically-Treated Carbon Nanofibers
Next Article in Special Issue
DNA Origami Reorganizes upon Interaction with Graphite: Implications for High-Resolution DNA Directed Protein Patterning
Previous Article in Journal
Triboelectric Hydrogen Gas Sensor with Pd Functionalized Surface
Previous Article in Special Issue
Probe Microscopic Studies of DNA Molecules on Carbon Nanotubes
Open AccessArticle

Effects of G-Quadruplex Topology on Electronic Transfer Integrals

1
China Building Materials Academy, Beijing 100024, China
2
Center S3, CNR Institute of Nanoscience, Via Campi 213/A, Modena 41125, Italy
3
Department of Physics and Astronomy, Universsity of Southern California, Los Angeles, CA 90089, USA
*
Author to whom correspondence should be addressed.
Academic Editor: Leonid Gurevich
Nanomaterials 2016, 6(10), 184; https://doi.org/10.3390/nano6100184
Received: 22 July 2016 / Revised: 19 September 2016 / Accepted: 30 September 2016 / Published: 15 October 2016
(This article belongs to the Special Issue DNA-Based Nanotechnology)
G-quadruplex is a quadruple helical form of nucleic acids that can appear in guanine-rich parts of the genome. The basic unit is the G-tetrad, a planar assembly of four guanines connected by eight hydrogen bonds. Its rich topology and its possible relevance as a drug target for a number of diseases have stimulated several structural studies. The superior stiffness and electronic π-π overlap between consecutive G-tetrads suggest exploitation for nanotechnologies. Here we inspect the intimate link between the structure and the electronic properties, with focus on charge transfer parameters. We show that the electronic couplings between stacked G-tetrads strongly depend on the three-dimensional atomic structure. Furthermore, we reveal a remarkable correlation with the topology: a topology characterized by the absence of syn-anti G-G sequences can better support electronic charge transfer. On the other hand, there is no obvious correlation of the electronic coupling with usual descriptors of the helix shape. We establish a procedure to maximize the correlation with a global helix shape descriptor. View Full-Text
Keywords: G-quadruplex; DNA; electronic coupling; transfer integrals; structure; density functional theory G-quadruplex; DNA; electronic coupling; transfer integrals; structure; density functional theory
Show Figures

Graphical abstract

MDPI and ACS Style

Sun, W.; Varsano, D.; Di Felice, R. Effects of G-Quadruplex Topology on Electronic Transfer Integrals. Nanomaterials 2016, 6, 184. https://doi.org/10.3390/nano6100184

AMA Style

Sun W, Varsano D, Di Felice R. Effects of G-Quadruplex Topology on Electronic Transfer Integrals. Nanomaterials. 2016; 6(10):184. https://doi.org/10.3390/nano6100184

Chicago/Turabian Style

Sun, Wenming; Varsano, Daniele; Di Felice, Rosa. 2016. "Effects of G-Quadruplex Topology on Electronic Transfer Integrals" Nanomaterials 6, no. 10: 184. https://doi.org/10.3390/nano6100184

Find Other Styles
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map by Country/Region

1
Search more from Scilit
 
Search
Back to TopTop