Carbon nanotube-assisted detection of methylated cytosine: A DFT study for epigenetic biomarker analysis

DNA methylation plays a crucial role in cancer research, offering potential biomarkers for diagnosis and prognosis. We investigate the electronic and transport properties of carbon nanotubes (CNTs) as a device material to diagnose the tumor indicators, DNA 5-methylcytosine (5mC) and 5-hydroxymethylcytosine (5hmC), using density-functional theory (DFT). Our results reveal distinct electronic behaviors of 5mC and 5hmC compared to other nucleotides when interacting with CNT, suggesting its potential as diagnostic tool for tumor markers. Furthermore, electron transport and tunneling properties are examined using DFTB, demonstrating the ability to differentiate tumor indicators from other nucleotides based on current responses. Our findings highlight the ability of CNT-based biosensors for sensitive and efficient detection of DNA methylation patterns associated with cancer.