Investigation of protonated base pairs between hypoxanthine and DNA bases by MS and MP2 methods

被引：2
|
作者：
Qiu, Zai-Ming [1 ]
Liu, Fei [2 ]
Yu, Zhi-Wu [1 ]
Li, Xin-Yu [1 ]
机构：
[1] East China Univ Technol, Jiangxi Key Lab Mass Spectrometry & Instrumentat, Nanchang 330013, Jiangxi, Peoples R China
[2] Anhui Inst Med Informat, Hefei 230000, Peoples R China
来源：
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY | 2021年 / 49卷 / 11期
关键词：
DNA bases; proton affinity; hypoxanthine; CID; MP2; GAS-PHASE; DEPROTONATED GUANINE.CYTOSINE; CRYSTAL-STRUCTURE; INOSINE; RESOLUTION; FRAGMENT; SPECTRA;
D O I：
10.1016/j.cjac.2021.07.003
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
Hypoxanthine (I) is the nucleobase of inosine. In this work, we employed second-order Moller-Plesset perturbation(MP2) method to investigate the protonation properties of hypoxanthine(I), adenine(A), cytosine (C), guanine (G), and thymine (T). The order of proton affinity is as follows: cytosine (N 3 and O 2 (N 3 ) side) approximate to guanine (N 7 ) > adenine (N 1 ) > hypoxanthine (N 7 ) > thymine(O 4 (N 3 side)). To compare the stability of protonated base pairs between I and DNA bases, we investigated the collision-induced dissociation (CID) behavior of the pairs using tandem mass spectrometry method. And the full geometry optimization has been performed for the studied complexes by the MP2 method. Based on the CID results and calculated structures, the stability of the protonated base pairs in DNA decreased in the following order: (I:A + H) + > (I:C + H) + > (I:G + H) + > (I + H:T) + .
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页码：69 / 73
页数：5
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