Department of Fundamental and Clinical Biochemistry, Kuban State Medical University, 350063 Krasnodar, Russia.
Department of Radiophysics and Nanotechnology, Kuban State University, 350040 Krasnodar, Russia.
Int J Mol Sci. 2022 Dec 7;23(24):15487. doi: 10.3390/ijms232415487.
The effect of single substitutions of protium for deuterium in hydrogen bonds between pairs of nitrogenous bases on the open states occurrence probability at high critical breaking energies of these bonds has been studied. The study was carried out using numerical methods based on the angular mathematical model of DNA. The IFNA17 gene was divided into three approximately equal parts. A comparison of the open states occurrence probability in these parts of the gene was done. To improve the accuracy of the results, a special data processing algorithm was developed. The developed methods have shown their suitability for taking into account the occurrence of open states in the entire range of high critical energies. It has been established that single H/H substitutions in certain nitrogenous bases can be a mechanism for maintaining the vital activity of IFNA17 under critical conditions. In general, the developed method of the mathematical modeling provide unprecedented insight into the DNA behavior under the highest critical energy range, which greatly expands scientific understanding of nucleobases interaction.
已经研究了在氢键中一对氮碱基之间的氘代氢被氕单取代对这些键在高临界断裂能下的打开状态出现概率的影响。该研究是使用基于 DNA 的角数学模型的数值方法进行的。IFNA17 基因被分成三个大致相等的部分。对该基因的这些部分中的打开状态出现概率进行了比较。为了提高结果的准确性，开发了一种特殊的数据处理算法。所开发的方法已经表明，它们适合于在整个高临界能量范围内考虑打开状态的发生。已经确定，某些氮碱基中的单 H/H 取代可以是 IFNA17 在临界条件下维持生命活性的机制。总的来说，所开发的数学建模方法提供了对 DNA 在最高临界能量范围内的行为的前所未有的洞察，极大地扩展了对核碱基相互作用的科学理解。
