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Detecting Hachimoji DNA: An Eight-Building-Block Genetic System with MoS2 and Janus MoSSe Monolayers
Vasudeo Babar1, Sitansh Sharma2, Abdul Rajjak Shaikh2
1Physical Sciences and Engineering Division, KAUST Catalysis Center, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Saudi Arabia.
ACS Applied Materials & Interfaces
|April 18, 2024
Summary
This study explores using 2D materials like MoS2 and MoSSe for DNA sequencing. Hachimoji bases adsorbed on these materials show promising electronic properties for enhanced DNA detection in personalized medicine.
Area of Science:
- Materials Science
- Nanotechnology
- Computational Chemistry
Background:
- Personalized medicine requires advanced DNA sequencing technologies.
- Two-dimensional materials offer unique properties for nanoscale applications, including biosensing.
- Nanotechnology provides novel approaches for DNA nucleobase detection.
Purpose of the Study:
- To investigate the adsorption behavior and electronic properties of hachimoji nucleotide bases on MoS2 and MoSSe monolayers.
- To evaluate the potential of these 2D materials as platforms for DNA sequencing and sensing.
- To understand the electronic transport characteristics of DNA-nanomaterial interfaces.
Main Methods:
- Density Functional Theory (DFT) with van der Waals corrections for adsorption and electronic structure calculations.
- Comprehensive conformational search to identify favorable adsorption sites.
- Non-equilibrium Green's Function (NEGF) approach to compute current-voltage (I-V) characteristics.
Main Results:
- Hachimoji bases physisorbed horizontally on MoS2 and MoSSe monolayers.
- Adsorption induced flat bands near the Fermi level, altering electronic band structure.
- Guanine (G) base showed high sensitivity on both substrates.
- Calculated I-V characteristics confirmed excellent sensing performance for MoS2 and MoSSe.
Conclusions:
- MoS2 and MoSSe monolayers are promising candidates for developing novel DNA sensing platforms.
- The electronic properties of these systems are significantly modified upon DNA base adsorption.
- This research contributes to advancing DNA sequencing technologies for personalized medicine.
