Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics

Autores
Zang, Xiaoling; Monge, Maria Eugenia; Gaul, David A.; Fernandez, Facundo M.
Año de publicación
2018
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Flow injection-traveling-wave ion mobility-mass spectrometry (FITWIM-MS) was applied to the nontargeted metabolic profiling of serum extracts from 61 prostate-cancer (PCa) patients and 42 controls with an analysis speed of 6 min per sample, including a 3 min wash run. Comprehensive data mining of the mobility-mass domain was used to discriminate species with various charge states and filter matrix saltcluster ions. Specific criteria were developed to ensure correct grouping of adducts, insource fragments, and impurities in the data set. Endogenous metabolites were identified with high confidence using FI-TWIM-MS/MS and collision-cross-section (CCS) matching with chemical standards or CCS databases. PCa patient samples were distinguished from control samples with good accuracies (88.3-89.3%), sensitivities (88.5-90.2%), and specificity (88.1%) using supervised multivariate classification methods. Although largely underutilized in metabolomics studies, FI-TWIM-MS proved advantageous in terms of analysis speed, separation of ions in complex mixtures, improved signal-to-noise ratio, and reduction of spectral congestion. Results from this study showcase the potential of FITWIM-MS as a high-throughput metabolic-profiling tool for large-scale metabolomics studies.
Fil: Zang, Xiaoling. Georgia Institute of Techology; Estados Unidos
Fil: Monge, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; Argentina
Fil: Gaul, David A.. Georgia Institute of Techology; Estados Unidos
Fil: Fernandez, Facundo M.. Georgia Institute of Techology; Estados Unidos
Materia
MASS SPECTROMETRY
ION MOBILITY
FLOW INJECTION
PROSTATE CANCER
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/88678

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spelling Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer MetabolomicsZang, XiaolingMonge, Maria EugeniaGaul, David A.Fernandez, Facundo M.MASS SPECTROMETRYION MOBILITYFLOW INJECTIONPROSTATE CANCERhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Flow injection-traveling-wave ion mobility-mass spectrometry (FITWIM-MS) was applied to the nontargeted metabolic profiling of serum extracts from 61 prostate-cancer (PCa) patients and 42 controls with an analysis speed of 6 min per sample, including a 3 min wash run. Comprehensive data mining of the mobility-mass domain was used to discriminate species with various charge states and filter matrix saltcluster ions. Specific criteria were developed to ensure correct grouping of adducts, insource fragments, and impurities in the data set. Endogenous metabolites were identified with high confidence using FI-TWIM-MS/MS and collision-cross-section (CCS) matching with chemical standards or CCS databases. PCa patient samples were distinguished from control samples with good accuracies (88.3-89.3%), sensitivities (88.5-90.2%), and specificity (88.1%) using supervised multivariate classification methods. Although largely underutilized in metabolomics studies, FI-TWIM-MS proved advantageous in terms of analysis speed, separation of ions in complex mixtures, improved signal-to-noise ratio, and reduction of spectral congestion. Results from this study showcase the potential of FITWIM-MS as a high-throughput metabolic-profiling tool for large-scale metabolomics studies.Fil: Zang, Xiaoling. Georgia Institute of Techology; Estados UnidosFil: Monge, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; ArgentinaFil: Gaul, David A.. Georgia Institute of Techology; Estados UnidosFil: Fernandez, Facundo M.. Georgia Institute of Techology; Estados UnidosAmerican Chemical Society2018-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/88678Zang, Xiaoling; Monge, Maria Eugenia; Gaul, David A.; Fernandez, Facundo M.; Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics; American Chemical Society; Analytical Chemistry; 90; 22; 11-2018; 13767-137740003-2700CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/acs.analchem.8b04259info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.analchem.8b04259info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:48:20Zoai:ri.conicet.gov.ar:11336/88678instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-29 09:48:20.805CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics
title Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics
spellingShingle Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics
Zang, Xiaoling
MASS SPECTROMETRY
ION MOBILITY
FLOW INJECTION
PROSTATE CANCER
title_short Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics
title_full Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics
title_fullStr Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics
title_full_unstemmed Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics
title_sort Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics
dc.creator.none.fl_str_mv Zang, Xiaoling
Monge, Maria Eugenia
Gaul, David A.
Fernandez, Facundo M.
author Zang, Xiaoling
author_facet Zang, Xiaoling
Monge, Maria Eugenia
Gaul, David A.
Fernandez, Facundo M.
author_role author
author2 Monge, Maria Eugenia
Gaul, David A.
Fernandez, Facundo M.
author2_role author
author
author
dc.subject.none.fl_str_mv MASS SPECTROMETRY
ION MOBILITY
FLOW INJECTION
PROSTATE CANCER
topic MASS SPECTROMETRY
ION MOBILITY
FLOW INJECTION
PROSTATE CANCER
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Flow injection-traveling-wave ion mobility-mass spectrometry (FITWIM-MS) was applied to the nontargeted metabolic profiling of serum extracts from 61 prostate-cancer (PCa) patients and 42 controls with an analysis speed of 6 min per sample, including a 3 min wash run. Comprehensive data mining of the mobility-mass domain was used to discriminate species with various charge states and filter matrix saltcluster ions. Specific criteria were developed to ensure correct grouping of adducts, insource fragments, and impurities in the data set. Endogenous metabolites were identified with high confidence using FI-TWIM-MS/MS and collision-cross-section (CCS) matching with chemical standards or CCS databases. PCa patient samples were distinguished from control samples with good accuracies (88.3-89.3%), sensitivities (88.5-90.2%), and specificity (88.1%) using supervised multivariate classification methods. Although largely underutilized in metabolomics studies, FI-TWIM-MS proved advantageous in terms of analysis speed, separation of ions in complex mixtures, improved signal-to-noise ratio, and reduction of spectral congestion. Results from this study showcase the potential of FITWIM-MS as a high-throughput metabolic-profiling tool for large-scale metabolomics studies.
Fil: Zang, Xiaoling. Georgia Institute of Techology; Estados Unidos
Fil: Monge, Maria Eugenia. Consejo Nacional de Investigaciones Científicas y Técnicas. Oficina de Coordinación Administrativa Parque Centenario. Centro de Investigaciones en Bionanociencias "Elizabeth Jares Erijman"; Argentina
Fil: Gaul, David A.. Georgia Institute of Techology; Estados Unidos
Fil: Fernandez, Facundo M.. Georgia Institute of Techology; Estados Unidos
description Flow injection-traveling-wave ion mobility-mass spectrometry (FITWIM-MS) was applied to the nontargeted metabolic profiling of serum extracts from 61 prostate-cancer (PCa) patients and 42 controls with an analysis speed of 6 min per sample, including a 3 min wash run. Comprehensive data mining of the mobility-mass domain was used to discriminate species with various charge states and filter matrix saltcluster ions. Specific criteria were developed to ensure correct grouping of adducts, insource fragments, and impurities in the data set. Endogenous metabolites were identified with high confidence using FI-TWIM-MS/MS and collision-cross-section (CCS) matching with chemical standards or CCS databases. PCa patient samples were distinguished from control samples with good accuracies (88.3-89.3%), sensitivities (88.5-90.2%), and specificity (88.1%) using supervised multivariate classification methods. Although largely underutilized in metabolomics studies, FI-TWIM-MS proved advantageous in terms of analysis speed, separation of ions in complex mixtures, improved signal-to-noise ratio, and reduction of spectral congestion. Results from this study showcase the potential of FITWIM-MS as a high-throughput metabolic-profiling tool for large-scale metabolomics studies.
publishDate 2018
dc.date.none.fl_str_mv 2018-11
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/88678
Zang, Xiaoling; Monge, Maria Eugenia; Gaul, David A.; Fernandez, Facundo M.; Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics; American Chemical Society; Analytical Chemistry; 90; 22; 11-2018; 13767-13774
0003-2700
CONICET Digital
CONICET
url http://hdl.handle.net/11336/88678
identifier_str_mv Zang, Xiaoling; Monge, Maria Eugenia; Gaul, David A.; Fernandez, Facundo M.; Flow Injection-Traveling-Wave Ion Mobility-Mass Spectrometry for Prostate-Cancer Metabolomics; American Chemical Society; Analytical Chemistry; 90; 22; 11-2018; 13767-13774
0003-2700
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/acs.analchem.8b04259
info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.analchem.8b04259
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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