@article{oai:kokushikan.repo.nii.ac.jp:00015623,
 author = {小田井, 圭 and Odai, Kei and 梅崎, 馨章 and Umesaki, Keisho},
 journal = {国士舘大学理工学部紀要, TRANSACTIONS OF THE KOKUSHIKAN UNIVERSITY SCHOOL OF SCIENCE AND ENGINEERING},
 month = {Mar},
 note = {J-GLOBAL ID : 200901085417108282, In the 1960s, Löwdin proposed a model for base pair mutations in DNA ［Rev. Mod. Phys. 1963, 35, 724-732］. It was that tautomerization by double proton transfer（DTP） of base pairs causes transition after replication. We investigated the possibility of DPT occurring in A-T （adenine-thymine） base pairs in Watson-Crick type DNA. However, it was found that A-T base pairs have a low probability of DPT ［J. Phys. Chem. B 2020, 124, 1715-1722］. Therefore, we are currently focusing on the fact that adenine is deaminated and converted to hypoxanthine. We suspect that the formation of hypoxanthine-thymine base pairs may be the cause of the transition of A-T base pairs. In this report, as the first step of our study, the reaction pathway in which adenine is converted to hypoxanthine by deamination was investigated by the density functional theory and transition state theory. As a result, it was found that the model consisting of adenine and one molecule of water has a low probability of transitioning to hypoxanthine by the deamination reaction., 1520574190712622080, application/pdf},
 pages = {5--8},
 title = {アデニンからヒポキサンチンへの脱アミノ化反応の理論的研究},
 volume = {15},
 year = {2022},
 yomi = {オダイ, ケイ and ウメサキ, ケイショウ}
}