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Type: Artigo de periódico
Title: Desorption/ionization Efficiencies Of Triacylglycerols And Phospholipids Via Easi-ms.
Author: Fernandes, Anna Maria A P
Fernandes, Gabriel D
Barrera-Arellano, Daniel
de Sá, Gilberto F
Lins, Roberto D
Eberlin, Marcos N
Alberici, Rosana M
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.
Subject: Desorption/ionization Efficiency
Easy Ambient Sonic-spray Ionization
Molecular Dynamics Simulation
Rights: fechado
Identifier DOI: 10.1002/jms.3366
Date Issue: 2014
Appears in Collections:Artigos e Materiais de Revistas Científicas - Unicamp

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