Sensing Hachimoji DNA Bases with Janus MoSH Monolayer Nanodevice: Insights from Density Functional Theory (DFT) and Non-Equilibrium Green’s Function Analysis - StemSkills Lab
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ACS Omega 2024

Sensing Hachimoji DNA Bases with Janus MoSH Monolayer Nanodevice: Insights from Density Functional Theory (DFT) and Non-Equilibrium Green’s Function Analysis

Vasudeo Babar, Sitansh Sharma, Abdul Rajjak Shaikh, Romina Oliva, Mohit Chawla, Luigi Cavallo

This study computationally tests a Janus MoSH monolayer as a platform for detecting the eight bases of Hachimoji DNA, an artificial genetic alphabet. Using density functional theory and non-equilibrium Green’s function methods, the team found the sulphur side of the material works better as a sensor and can distinguish certain natural and modified bases, while also flagging the limits of relying on electrical current alone. It informs the design of 2D-material sensors for next-generation DNA sequencing.

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Vasudeo Babar, Sitansh Sharma, Abdul Rajjak Shaikh, Romina Oliva, Mohit Chawla, Luigi Cavallo (2024) Sensing Hachimoji DNA Bases with Janus MoSH Monolayer Nanodevice: Insights from Density Functional Theory (DFT) and Non-Equilibrium Green’s Function Analysis. ACS Omega. https://doi.org/10.1021/acsomega.4c05356

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