Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions

doi:10.1016/j.ijms.2016.07.008

	Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions
	Wang, Peng 1,3; Cao, Guo-Jin 2; Xu, Hong-Guang 1,3; Xu, Xi-Ling 1,3; Zheng, Wei-Jun 1,3
刊名	INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
	2016-08-20
卷号	407 页码:118-125
关键词	Photodissociation Density Functional Calculations Nucleobases Cluster Cations
ISSN号	1387-3806
DOI	10.1016/j.ijms.2016.07.008
文献子类	Review
英文摘要	To understand the interactions between nucleobases and coinage metal cations, we conducted combined photodissociation and density functional theory studies on A(2)M(+) and G(2)M(+) (A=adenine, G=guanine, M=Cu, Ag, and Au) cations. The nucleobase-metal complexes were produced by laser ablation and detected by a reflectron time-of-flight mass spectrometer. The mass peaks of A(2)M(+) and G(2)M(+) cations have high intensities in the mass spectra of A(n)M(+) and G(n)M(+) complexes, indicating that these cations have relatively high stabilities. They were mass-selected and then photodissociated by 266 nm photons. Their photodissociation spectra clearly show that the loss of adenine or guanine is the predominant channel for these complexes. The density functional theory calculations show that A(2)M(+) and G(2)M(+) complexes prefer planar structures with the metal cations interacting with the N atoms in the carbon-nitrogen rings of adenine and guanine. The calculated bond dissociation energies of different dissociation channels are in good agreement with the experimental observed fragment ions. (C) 2016 Elsevier B.V. All rights reserved.
WOS关键词	DNA-BASE PAIRS ; ELECTRONIC-STRUCTURE CALCULATIONS ; AB-INITIO CALCULATIONS ; GAS-PHASE ; METAL-IONS ; SUBSTITUTION MUTATIONS ; HYDROGEN-PEROXIDE ; RARE TAUTOMERS ; SPECTROSCOPY ; COMPLEXES
WOS研究方向	Physics ; Spectroscopy
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000383304300015
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/170224]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Zheng, Wei-Jun
作者单位	1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Mol React Dynam, Beijing 100190, Peoples R China 2.Shanxi Univ, Inst Mol Sci, Taiyuan 030006, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Wang, Peng,Cao, Guo-Jin,Xu, Hong-Guang,et al. Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions[J]. INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,2016,407:118-125.
APA	Wang, Peng,Cao, Guo-Jin,Xu, Hong-Guang,Xu, Xi-Ling,&Zheng, Wei-Jun.(2016).Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions.INTERNATIONAL JOURNAL OF MASS SPECTROMETRY,407,118-125.
MLA	Wang, Peng,et al."Photodissociation and density functional calculations of A(2)M(+) and G(2)M(+) (A = adenine, G = guanine, M = Cu, Ag, and Au) cluster ions".INTERNATIONAL JOURNAL OF MASS SPECTROMETRY 407(2016):118-125.