Formation of complexes between uracil and calcium ions: an ESI/MS/MS study in combination with theoretical calculations

被引：13
|
作者：
Zins, Emilie-Laure [1 ]
Rochut, Sophie [1 ]
Pepe, Claude [1 ]
机构：
[1] Univ Paris 06, Lab Dynam Interact & React, CNRS, UMR 7075, F-75005 Paris, France
来源：
JOURNAL OF MASS SPECTROMETRY | 2009年 / 44卷 / 05期
关键词：
magic number; ESI/MS/MS; DFT calculations; uracil; calcium ion; IONIZATION MASS-SPECTROMETRY; SELF-ASSOCIATION; G-QUADRUPLEXES; ALKALI-METALS; AB-INITIO; QUARTETS; GUANINE; TETRAD; DNA; ISOGUANINE;
D O I：
10.1002/jms.1561
中图分类号：
Q5 [生物化学];
学科分类号：
071010 ; 081704 ;
摘要：
Cationized uracil clusters around calcium metal ions were generated in the gas phase by electrospray ionization (ESI). A previous study showed that with particular experimental conditions, hexamer, octamer, decamer, dodecamer and tetradecamer uracil clusters are present in high quantities. New experiments were carried out to understand the reasons for the particular stability of these complexes. MS/MS experiments suggested that these uracil clusters belong to the same family. Based on ab initio and DFT quantum chemistry calculations, structures in agreement with experimental results are proposed for these clusters. Copyright (C) 2009 John Wiley & Sons, Ltd.
引用
收藏
页码：813 / 820
页数：8
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