RAMAN SPECTRA SIMULATION BY DFT CALCULATION OF DNA NUCLEOBASES ON GRAPHENE: COMPUTATIONAL INVASTIGATION.

Authors

Soulaymane Ait Ben Hssein¹ , Mourad Boutahir¹ , Ismail Benabdallah² , Sidi Abdelmajid Ait Abdelkader² , Abdelouahad El Fatimy²

1. École normale supérieure, Meknes,Morocco
2. Institute of Applied Physics, Mohammed VI Polytechnic University, Benguerir, Morocco

Conference / event

The International Conference on Advanced Materials, Microscopy, and Energy 2024, May 2024 (Virtual)

Poster summary

DNA is the fundamental unit of genomic studies, and the technics of sequencing it is crucial for multiple uses such as Understanding Genetics and Genomics, Genomic Mapping, Forensic Analysis and more. Many studies focus on the molecular dynamic (MD) investigation on sequencing DNA by low 2D materials like graphene. Here, we are presenting a study based on the Raman spectra simulation of the DNA nucleobases, especially adenine, on graphene as a low 2D material, it concludes the graphene effect on intensity and appearance on some vibrational modes. This study is the introduction of a new field which is the usage of Raman spectroscopy on sequencing and sensing DNA.

Keywords

DNA, Raman spectra, DFT calculations, Graphene

Research areas

Physics, Material Sciences

References

1. Sathe, C., Zou, X., Leburton, J.-P., & Schulten, K. (2011). Computational Investigation of DNA Detection Using Graphene Nanopores. ACS Nano, 5(11), 8842-8851. https://doi.org/10.1021/nn202989w
2. Heerema, SJ., & Dekker, C. (2016). Graphene nanodevices for DNA sequencing. Nature Nanotechnology, 11(2), 127-136. https://doi.org/10.1038/NNANO.2015.307
3. Dolgov, L., Pidhirnyi, D., Dovbeshko, G. et al. Graphene-Enhanced Raman Scattering from the Adenine Molecules. Nanoscale Res Lett 11, 197 (2016). https://doi.org/10.1186/s11671-016-1418-5

Funding

No data provided

Supplemental files

No data provided

Additional information

Competing interests

No competing interests were disclosed.

Data availability statement

The datasets generated during and / or analyzed during the current study are available from the corresponding author on reasonable request.

Creative Commons license

Copyright © 2024 Ait Ben Hssein et al. This is an open access work distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.