Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/61273
Type: Artigo de periódico
Title: Desorption/ionization efficiencies of triacylglycerols and phospholipids via EASI-MS
Author: Fernandes, AMAP
Fernandes, GD
Barrera-Arellano, D
de Sa, GF
Lins, RD
Eberlin, MN
Alberici, RM
Abstract: Knowledge of the major effects governing desorption/ionization efficiency is required for the development and application of ambient mass spectrometry. Although all triacylglycerols (TAG) have the same favorable protonation and cationization sites, their desorption/ionization efficiencies can vary dramatically during easy ambient sonic-spray ionization because of structural differences in the carbon chain. To quantify this somewhat surprising and drastic effect, we have performed a systematic investigation of desorption/ionization efficiencies as a function of unsaturation and length for TAG as well as for diacylglycerols, monoacylglycerols and several phospholipids (PL). Affinities for Na+ as a function of unsaturation level have also been assayed via comprehensive metadynamics calculations to understand the influence of this phenomenon on the ionization efficiency. The results suggest that dipole-dipole interactions within a carbon chain tuned by unsaturation sites govern ionization efficiency of TAG and PL. Copyright (c) 2014 John Wiley & Sons, Ltd.
Subject: lipids
triacylglycerols
phospholipids
desorption
ionization efficiency
easy ambient sonic-spray ionization
molecular dynamics simulation
Country: EUA
Editor: Wiley-blackwell
Rights: fechado
Identifier DOI: 10.1002/jms.3366
Date Issue: 2014
Appears in Collections:Unicamp - Artigos e Outros Documentos

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