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) + .

引用

页码：69 / 73

页数：5

共 31 条

[11] Intracellular and extracellular factors influencing the genotoxicity of nitric oxide and reactive oxygen species
Kim, Min Young
[J]. ONCOLOGY LETTERS, 2017, 13 (03) : 1417 - 1424
[12] CRYSTAL-STRUCTURE AT 1.5-A RESOLUTION OF D(CGCICICG), AN OCTANUCLEOTIDE CONTAINING INOSINE, AND ITS COMPARISON WITH D(CGCG) AND D(CGCGCG) STRUCTURES
KUMAR, VD
HARRISON, RW
ANDREWS, LC
WEBER, IT
[J]. BIOCHEMISTRY, 1992, 31 (05) : 1541 - 1550
[13] CRYSTAL-STRUCTURE OF A Z-DNA HEXAMER D(CGCICG) AT 1.7-ANGSTROM RESOLUTION - INOSINE CYTIDINE BASE-PAIRING, AND COMPARISON WITH OTHER Z-DNA STRUCTURES
KUMAR, VD
WEBER, IT
[J]. NUCLEIC ACIDS RESEARCH, 1993, 21 (09) : 2201 - 2208
[14] Rapid Characterization of Complex Viscous Liquids at the Molecular Level
Law, Wai Siang
Chen, Huanwen
Ding, Jianhua
Yang, Shuiping
Zhu, Liang
Gamez, Gerardo
Chingin, Konstantin
Ren, Yulin
Zenobi, Renato
[J]. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2009, 48 (44) : 8277 - 8280
[15] THE CONFORMATIONAL VARIABILITY OF AN ADENOSINE INOSINE BASE-PAIR IN A SYNTHETIC DNA DODECAMER
LEONARD, GA
BOOTH, ED
HUNTER, WN
BROWN, T
[J]. NUCLEIC ACIDS RESEARCH, 1992, 20 (18) : 4753 - 4759
[16] A direct dynamics study of the deprotonated guanine.cytosine base pair: intra-base pair proton transfer, thermal dissociation vs. collision-induced dissociation, and comparison with experiment
Liu, Jianbo
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (45) : 30616 - 30626
[17] Deprotonated guanine.cytosine and 9-methylguanine.cytosine base pairs and their "non-statistical" kinetics: a combined guided-ion beam and computational study
Lu, Wenchao
Liu, Jianbo
[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (47) : 32222 - 32237
[18] DNA DAMAGE AND MUTATION IN HUMAN-CELLS EXPOSED TO NITRIC-OXIDE INVITRO
NGUYEN, T
BRUNSON, D
CRESPI, CL
PENMAN, BW
WISHNOK, JS
TANNENBAUM, SR
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1992, 89 (07) : 3030 - 3034
[19] Development of Electrospray/Photoionization Miniature Ion Trap Mass Spectrometer
Qian Xiang
Zhang Qian
Lu Xin-Qiong
Yu Quan
Ni Kai
Zhang Chao
Wang Xiao-Hao
[J]. CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, 2017, 45 (07) : 1096 - 1101
[20] MP2 study on the hydrogen-bonding interaction between 5-fluorocytosine and DNA bases: A, C, G, T
Qiu, Zai Ming
Xi, Hui Ping
Zhang, Sui Shuan
Li, Xu Dong
Hou, Da Nian
[J]. STRUCTURAL CHEMISTRY, 2016, 27 (03) : 763 - 771

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