Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry
Autor(a) principal: | |
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Data de Publicação: | 2019 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Journal of the Brazilian Chemical Society (Online) |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532019000400819 |
Resumo: | Design of experiments (DOE) applied to mass spectrometry (MS), mainly focusing on the optimization of ionization techniques, has been applied to optimize experiments in order to provide the highest amount of information with the lowest number of experiments. However, DOE has not been used in petroleomics. For the first time, we applied DOE to optimize the main parameters associated with the crude oil analysis in a petroleomics approach. For the ionization technique, atmospheric pressure photoionization (APPI) has been selected and data were acquired in a high resolution (400,000 at m/z 400) and high mass accuracy (< 1 ppm) Fourier transform ion cyclotron resonance (FT-ICR) MS. Full and fractional two-level factorial designs were applied for the APPI(±) FT-ICR MS data set from two different crude oil samples with distinct physical and chemical characteristics. The standard ionization parameters that affect the MS responses of the crude oil analysis were optimized for both APPI(+)-MS and APPI(–)-MS. Such ionization parameters were then successfully applied to a crude oil and its saturated, aromatics, resin and asphaltene fractions, all with superior features of merit. Thus, the optimized APPI(±)-MS parameters should serve as reference and can be used as a guide for new studies in petroleomics. |
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Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometrydesign of experimentsatmospheric pressure photoionizationcrude oilultra-high resolution mass spectrometryDesign of experiments (DOE) applied to mass spectrometry (MS), mainly focusing on the optimization of ionization techniques, has been applied to optimize experiments in order to provide the highest amount of information with the lowest number of experiments. However, DOE has not been used in petroleomics. For the first time, we applied DOE to optimize the main parameters associated with the crude oil analysis in a petroleomics approach. For the ionization technique, atmospheric pressure photoionization (APPI) has been selected and data were acquired in a high resolution (400,000 at m/z 400) and high mass accuracy (< 1 ppm) Fourier transform ion cyclotron resonance (FT-ICR) MS. Full and fractional two-level factorial designs were applied for the APPI(±) FT-ICR MS data set from two different crude oil samples with distinct physical and chemical characteristics. The standard ionization parameters that affect the MS responses of the crude oil analysis were optimized for both APPI(+)-MS and APPI(–)-MS. Such ionization parameters were then successfully applied to a crude oil and its saturated, aromatics, resin and asphaltene fractions, all with superior features of merit. Thus, the optimized APPI(±)-MS parameters should serve as reference and can be used as a guide for new studies in petroleomics.Sociedade Brasileira de Química2019-04-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532019000400819Journal of the Brazilian Chemical Society v.30 n.4 2019reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.21577/0103-5053.20180214info:eu-repo/semantics/openAccessSantos,Jandyson M.Pudenzi,Marcos A.Wisniewski Jr.,AlbertoBreitkreitz,Márcia C.Eberlin,Marcos N.eng2019-03-12T00:00:00Zoai:scielo:S0103-50532019000400819Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2019-03-12T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false |
dc.title.none.fl_str_mv |
Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry |
title |
Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry |
spellingShingle |
Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry Santos,Jandyson M. design of experiments atmospheric pressure photoionization crude oil ultra-high resolution mass spectrometry |
title_short |
Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry |
title_full |
Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry |
title_fullStr |
Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry |
title_full_unstemmed |
Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry |
title_sort |
Optimization of Atmospheric Pressure Photoionization for the Crude Oil Analysis Using Ultra-High Resolution Mass Spectrometry |
author |
Santos,Jandyson M. |
author_facet |
Santos,Jandyson M. Pudenzi,Marcos A. Wisniewski Jr.,Alberto Breitkreitz,Márcia C. Eberlin,Marcos N. |
author_role |
author |
author2 |
Pudenzi,Marcos A. Wisniewski Jr.,Alberto Breitkreitz,Márcia C. Eberlin,Marcos N. |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Santos,Jandyson M. Pudenzi,Marcos A. Wisniewski Jr.,Alberto Breitkreitz,Márcia C. Eberlin,Marcos N. |
dc.subject.por.fl_str_mv |
design of experiments atmospheric pressure photoionization crude oil ultra-high resolution mass spectrometry |
topic |
design of experiments atmospheric pressure photoionization crude oil ultra-high resolution mass spectrometry |
description |
Design of experiments (DOE) applied to mass spectrometry (MS), mainly focusing on the optimization of ionization techniques, has been applied to optimize experiments in order to provide the highest amount of information with the lowest number of experiments. However, DOE has not been used in petroleomics. For the first time, we applied DOE to optimize the main parameters associated with the crude oil analysis in a petroleomics approach. For the ionization technique, atmospheric pressure photoionization (APPI) has been selected and data were acquired in a high resolution (400,000 at m/z 400) and high mass accuracy (< 1 ppm) Fourier transform ion cyclotron resonance (FT-ICR) MS. Full and fractional two-level factorial designs were applied for the APPI(±) FT-ICR MS data set from two different crude oil samples with distinct physical and chemical characteristics. The standard ionization parameters that affect the MS responses of the crude oil analysis were optimized for both APPI(+)-MS and APPI(–)-MS. Such ionization parameters were then successfully applied to a crude oil and its saturated, aromatics, resin and asphaltene fractions, all with superior features of merit. Thus, the optimized APPI(±)-MS parameters should serve as reference and can be used as a guide for new studies in petroleomics. |
publishDate |
2019 |
dc.date.none.fl_str_mv |
2019-04-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532019000400819 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532019000400819 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.21577/0103-5053.20180214 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
dc.source.none.fl_str_mv |
Journal of the Brazilian Chemical Society v.30 n.4 2019 reponame:Journal of the Brazilian Chemical Society (Online) instname:Sociedade Brasileira de Química (SBQ) instacron:SBQ |
instname_str |
Sociedade Brasileira de Química (SBQ) |
instacron_str |
SBQ |
institution |
SBQ |
reponame_str |
Journal of the Brazilian Chemical Society (Online) |
collection |
Journal of the Brazilian Chemical Society (Online) |
repository.name.fl_str_mv |
Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ) |
repository.mail.fl_str_mv |
||office@jbcs.sbq.org.br |
_version_ |
1750318181691424768 |