用C2Fe+编码DNA碱基和核苷酸链的理论方法,DFT研究

Q3 Biochemistry, Genetics and Molecular Biology Turkish Computational and Theoretical Chemistry Pub Date : 2023-05-15 DOI:10.33435/tcandtc.1181765
Leila Hojatkashani̇, Amir Ali Omi̇di̇
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引用次数: 1

摘要

在每个生物中,DNA链对于细胞的生长、代谢调节和将遗传信息基础传递给下一代都是必不可少的。DNA碱基的功能是一个0和1系统。在本理论研究中,我们尝试为DNA碱基建立另外两种0和1体系,在这两种方法中,C2Fe+都像旗帜一样附着在DNA碱基和核苷酸上以产生衍生物。第一种方法是利用高斯视图和高斯程序从理论上确定原始DNA碱基、核苷酸及其C2Fe变异的核磁共振磁化率和磁化强度。在磁场(H)和这些化合物的核磁共振磁化率的作用下,它们的计算磁化率,可以产生某些信号作为DNA碱基及其化合物的标记。这些结果不仅可以被认为是制作一个新的(0)和(1)系统的方法。第二种方法是利用高斯视图和高斯程序确定原始DNA碱基、核苷酸及其C2Fe品种的理论紫外可见光谱,原始化合物的光谱吸收范围与C2Fe品种的吸收范围不同。随着分光光度计结构的微小变化,可以再次创建另一个0和1编码系统。
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Theoretical Methods for coding a strand of DNA bases and nucleotides with C2Fe+, A DFT study
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.
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来源期刊
Turkish Computational and Theoretical Chemistry
Turkish Computational and Theoretical Chemistry Biochemistry, Genetics and Molecular Biology-Biochemistry, Genetics and Molecular Biology (miscellaneous)
CiteScore
2.40
自引率
0.00%
发文量
4
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