Diamondoids as DNA methylation and mutation probes
Institute for Computational Physics, Universität Stuttgart - Allmandring 3, 70569 Stuttgart, Germany
Received: 14 July 2014
Accepted: 14 September 2014
In a recent study we proposed derivatives of lower diamondoids as novel biosensors, as well as possible functionalisation candidates of solid-state nanopores for DNA sequencing. A qualitative analysis has shown the abilities of these molecules to distinguish among different DNA nucleobases. In this letter, we extend the analysis and consider also methylated and mutated nucleobases, often being an indication of genetic diseases. Based on the bonding characteristics of these modified nucleobases to a diamondoid derivative, as well as their electronic properties we could reveal the ability of the diamondoid to clearly distinguish the regular from the modified nucleobases. The results show a clear indication that transport properties along these molecules would give distinct current signals.
PACS: 73.22.-f – Electronic structure of nanoscale materials and related systems / 87.14.gk – DNA / 71.15.Mb – Density functional theory, local density approximation, gradient and other corrections
© EPLA, 2014