Desorption/ionization efficiencies of triacylglycerols and phospholipids via EASI-MS

dc.creatorFernandes, AMAP
dc.creatorFernandes, GD
dc.creatorBarrera-Arellano, D
dc.creatorde Sa, GF
dc.creatorLins, RD
dc.creatorEberlin, MN
dc.creatorAlberici, RM
dc.date2014
dc.dateMAY
dc.date2014-07-30T14:38:52Z
dc.date2015-11-26T16:42:22Z
dc.date2014-07-30T14:38:52Z
dc.date2015-11-26T16:42:22Z
dc.date.accessioned2018-03-28T23:26:53Z
dc.date.available2018-03-28T23:26:53Z
dc.identifierJournal Of Mass Spectrometry. Wiley-blackwell, v. 49, n. 5, n. 335, n. 341, 2014.
dc.identifier1076-5174
dc.identifier1096-9888
dc.identifierWOS:000335479400001
dc.identifier10.1002/jms.3366
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/61273
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/61273
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1273247
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionKnowledge 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.
dc.description49
dc.description5
dc.description335
dc.description341
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionState of Pernambuco Research Foundation
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.languageen
dc.publisherWiley-blackwell
dc.publisherHoboken
dc.publisherEUA
dc.relationJournal Of Mass Spectrometry
dc.relationJ. Mass Spectrom.
dc.rightsfechado
dc.rightshttp://olabout.wiley.com/WileyCDA/Section/id-406071.html
dc.sourceWeb of Science
dc.subjectlipids
dc.subjecttriacylglycerols
dc.subjectphospholipids
dc.subjectdesorption
dc.subjectionization efficiency
dc.subjecteasy ambient sonic-spray ionization
dc.subjectmolecular dynamics simulation
dc.subjectIonization-mass-spectrometry
dc.subjectSonic-spray Ionization
dc.subjectMolecular-dynamics Simulation
dc.subjectSodium-ion Affinities
dc.subjectVegetable-oils
dc.subjectQuantitative-analysis
dc.subjectBiological Samples
dc.subjectTag Profiles
dc.subjectForce-field
dc.subjectFats
dc.titleDesorption/ionization efficiencies of triacylglycerols and phospholipids via EASI-MS
dc.typeArtículos de revistas


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