Thymine quintets and their higher order assemblies studied by electrospray ionization mass spectrometry and theoretical calculation

doi:10.1002/jms.1928

CORC > 化学研究所 > 中国科学院化学研究所

	Thymine quintets and their higher order assemblies studied by electrospray ionization mass spectrometry and theoretical calculation
	Qiu, Bo; Qin, Zhen; Liu, Jia; Luo, Hai
刊名	JOURNAL OF MASS SPECTROMETRY
	2011-06-01
卷号	46 期号:6 页码:587-594
关键词	Nucleobases Cluster Ions Mass Spectrometry Density Functional Calculations Chirality
ISSN号	1076-5174
DOI	10.1002/jms.1928
英文摘要	We previously reported that thymine molecules can specifically form a pentameric magic number cluster named as thymine quintet in the presence of K(+), Rb(+) and Cs(+). Actually, thymine decamer and doubly charged thymine 15-mer metaclusters can be observed along with thymine quintet in the ESI mass spectra of thymine with the addition of K(+), Rb(+) and Cs(+). The product ion spectra of these metaclusters, especially the 15-mer with hetero central ions, indicate that they are higher order assemblies of thymine quintets. The collision-induced dissociation experiments show that the gas-phase stabilities of these metaclusters depend on the size of the central ions, following the order Cs(+) > Rb(+) > K(+), while K(+) leads to the highest dissociation energy of a thymine quintet. The optimized structures of thymine quintet and decamer were provided by density functional theory calculations, which showed that thymine quintet is bowl-shaped and its tilting angle increases with the size of the central ion. Furthermore, the chirality of thymine quintet was defined for the first time and the resulting different diastereoisomers of thymine decamers were also revealed by the calculation study. Copyright (C) 2011 John Wiley & Sons, Ltd.
语种	英语
出版者	WILEY-BLACKWELL
WOS记录号	WOS:000291404500009
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/71771]
专题	中国科学院化学研究所
通讯作者	Luo, Hai
作者单位	Peking Univ, Coll Chem & Mol Engn, Beijing Natl Lab Mol Sci, Beijing 100871, Peoples R China
推荐引用方式 GB/T 7714	Qiu, Bo,Qin, Zhen,Liu, Jia,et al. Thymine quintets and their higher order assemblies studied by electrospray ionization mass spectrometry and theoretical calculation[J]. JOURNAL OF MASS SPECTROMETRY,2011,46(6):587-594.
APA	Qiu, Bo,Qin, Zhen,Liu, Jia,&Luo, Hai.(2011).Thymine quintets and their higher order assemblies studied by electrospray ionization mass spectrometry and theoretical calculation.JOURNAL OF MASS SPECTROMETRY,46(6),587-594.
MLA	Qiu, Bo,et al."Thymine quintets and their higher order assemblies studied by electrospray ionization mass spectrometry and theoretical calculation".JOURNAL OF MASS SPECTROMETRY 46.6(2011):587-594.