Hydration of gas-phase gramicidin S (M+2H)(2+) ions formed by electrospray: The transition from solution to gas-phase structure

被引:95
作者
RodriguezCruz, SE [1 ]
Klassen, JS [1 ]
Williams, ER [1 ]
机构
[1] UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
基金
美国国家科学基金会; 加拿大自然科学与工程研究理事会;
关键词
D O I
10.1016/S1044-0305(97)00020-2
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The hydration of doubly protonated gas-phase ions of gramicidin S formed by electrospray ionization was investigated. Under ''gentle'' electrospray conditions, a near Gaussian distribution of (M + 2H + nH(2)O)(2+) ions with n up to 50 can be readily formed. These extensively hydrated gas-phase ions should have structures similar to those in solution. For intermediate extents of hydration, the ''naked'' or unsolvated ion is present in unusually high abundance. This is attributed to a competition between solvation of the charges by water vs intramolecular self-solvation via hydrogen bonding. In addition, ''magic'' numbers of attached water molecules are observed for n = 8, 11, and 14. These magic numbers are attributed to favorable arrangements of water molecules surrounding the charge and surface of the peptide in the gas phase. These results are indicative of a gentle stepwise transformation from the solution-phase structure of the ion to the preferred gas-phase structure as solvent evaporates from the hydrated ions. (C) 1997 American Society for Mass Spectrometry.
引用
收藏
页码:565 / 568
页数:4
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