Theoretical Methods for coding a strand of DNA bases and nucleotides with C2Fe+, A DFT study

Year 2023, , 20 - 33, 15.05.2023

Leila Hojatkashani , Amir Ali Omidi

https://doi.org/10.33435/tcandtc.1181765

Cited By: 1

Abstract

DNA strands are essential in a cell for growth, metabolism regulation and carrying genetic information bases to new generations, in every creatures . The function of DNA bases is a 0 and 1 system. In this theoretical research , we try to make two other 0 and 1 systems for DNA bases .In both methods, C2Fe+ is attached to DNA bases and nucleotides like a flag to make derivatives. In the first method NMR susceptibility and Magnetization of pristine DNA bases, nucleotides and their C2Fe varieties are determined theoretically by using Gauss view and Gaussian programs. With effect of a magnetic field (H) and NMR susceptibility of these compounds, their calculate magnetizations , certain signals can be created as a mark of DNA bases and their compounds. These resulted not only can be considered as a method to make a new (0) and (1) system. In the second method, by using Gauss view and Gaussian programs the theoretically UV-Visible spectrum of pristine DNA bases, nucleotides and their C2Fe varieties are determined which the spectrum absorption of the pristine compounds are in different range with the absorption range of C2Fe varieties. With a little change in spectrophotometer construction another 0 and 1 coding system can be created, again.

Keywords

DNA bases, nucleotides, C2Fe+, magnetic susceptibility, magnetic field, magnetization, UV-Visible spectroscopy

Supporting Institution

This is a theoretical research so my institition may not pay for it ,but I can pay for publiching this paper up to 200$

Thanks

Special thanks to, Islamic Azad University, Yadegar-e-Imam Khomeini (RAH) Shahre Rey Branch and Tehran North Branch for supporting this work. Also special thanks to Professor Farokh Hodjatkashani of Islamic Azad University Tehran South Branch for his guidance and help

References

• [1] A. Sihag, S.S. Mallajosyula, Adsorption of DNA bases on two-dimensional Boron Sheets, Chemistry Select,4(2019) 3308 –3314.
• [2] J.R. Wagner, S.G. Madugundu, J. Cadet., Ozone-Induced DNA Damage: A Pandora’s Box of Oxidatively Modified DNA Bases, Chem. Res. Toxicol., 34(2021) 80−90
• [3] M. Souri, A. Khan Mohammadi, Investigation of solvent effect on Adenine-Thymine base pair interaction, Journal of Molecular Liquids ,230(2017) 169-174.
• [4] V.N. Nikiforov et al., Magnetic properties of ‘‘attached” DNA, Journal of Magnetism and Magnetic Materials, 459( 2018) 340–344.
• [5] L. Hojatkashani, Theoretical Investigation of Application of Combining Pristine C60 and doped C60 with Silicon and Germanium atoms for Solar cells; A DFT study , Oriental Journal Of Chemistry, 35 (2019) 255-263.
• [6] N. E. Kaufmann, Characterization of materials, 2nd ed., John Wiley &Sons Ltd. England, 2012, vol(3).
• [7] J.H. Duyn, J. Schenck, Contributions To Magnetic Susceptibility Of Brain Tissue, NMR Biomed, 30(4) (2017).
• [8] R.Guo et al, Calculation of Diamagnetic Susceptibility Tensors of Organic Crystals: From Coronene to Pharmaceutical Polymorphs, J. Phys. Chem. A., 124 (2020). 1409–1420.
• [9] F. S. Rochaa, A. J. Gomesb, C. N. Lunardi, S. Kaliaguinec, G. S. Patience, Experimental Methods in Chemical Engineering: Ultraviolet Visible Spectroscopy UV-Vis., The Canadian Journal of Chemical Engineering, 96 (2018) 2512-2517.
• [10] J. Qin, S. Gao, H. Li, C. Li, M. Li,Growth of monolayer and multilayer graphene on glassy carbon electrode for simultaneous determination of guanine, adenine, thymine, and cytosine, Journal of Electroanalytical Chemistry, 895 (2021) 115403.
• [11] A. Mermer, M.V. Bulbul, S.M. Kalender, I. Keskin, B.Tuzun, O.E. Eyupoglu,. Benzotriazole-oxadiazole hybrid Compounds: Synthesis, anticancer Activity, molecular docking and ADME profiling studies,Journal of Molecular Liquids, 359(2022) 119264.
• [12] G. Sarki, B. Tüzün, D. Ünlüer, H. Kantekin, Synthesis, characterization, chemical and biological activities of 4-(4-methoxyphenethyl)-5-benzyl-2-hydroxy-2H-1,2,4-triazole-3(4H)- one phthalocyanine derivatives, Inorganica Chimica Acta, (2022)121113.
• [13] A.H.T. Kafa, G. Tüzün, E. Güney, R. Aslan, K. Sayin, B. Tüzün, H. Ataseven, Synthesis, computational analyses, antibacterial and antibiofilm properties of nicotinamide derivatives.. Structural Chemistry, 33 (2022) 1189–1197.