Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics

Autores
Zang, Xiaoling; Jones, Christina M.; Long, Tran Q.; Monge, Maria Eugenia; Zhou, Manshui; DeEtte Walker, L.; Mezencev, Roman; Gray, Alexander; McDonald, John F.; Fernandez, Facundo M.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Prostate cancer (PCa) is the second leading cause of cancer-related mortality in men. The prevalent diagnosis method is based on the serum prostate-specific antigen (PSA) screening test, which suffers from low specificity, overdiagnosis, and overtreatment. In this work, untargeted metabolomic profiling of age-matched serum samples from prostate cancer patients and healthy individuals was performed using ultraperformance liquid chromatography coupled to high-resolution tandem mass spectrometry (UPLC-MS/MS) and machine learning methods. A metabolite-based in vitro diagnostic multivariate index assay (IVDMIA) was developed to predict the presence of PCa in serum samples with high classification sensitivity, specificity, and accuracy. A panel of 40 metabolic spectral features was found to be differential with 92.1% sensitivity, 94.3% specificity, and 93.0% accuracy. The performance of the IVDMIA was higher than the prevalent PSA test. Within the discriminant panel, 31 metabolites were identified by MS and MS/MS, with 10 further confirmed chromatographically by standards. Numerous discriminant metabolites were mapped in the steroid hormone biosynthesis pathway. The identification of fatty acids, amino acids, lysophospholipids, and bile acids provided further insights into the metabolic alterations associated with the disease. With additional work, the results presented here show great potential toward implementation in clinical settings.
Fil: Zang, Xiaoling. Georgia Institute of Techology; Estados Unidos
Fil: Jones, Christina M.. Georgia Institute of Techology; Estados Unidos
Fil: Long, Tran Q.. Georgia Institute of Techology; Estados Unidos
Fil: Monge, Maria Eugenia. Georgia Institute of Techology; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Zhou, Manshui. Georgia Institute of Techology; Estados Unidos
Fil: DeEtte Walker, L.. Georgia Institute of Techology; Estados Unidos
Fil: Mezencev, Roman. Georgia Institute of Techology; Estados Unidos
Fil: Gray, Alexander. Georgia Institute of Techology; Estados Unidos
Fil: McDonald, John F.. Georgia Institute of Techology; Estados Unidos
Fil: Fernandez, Facundo M.. Georgia Institute of Techology; Estados Unidos
Materia
Prostate Cancer
Prostate Cancer Detection
Untargeted Metabolomics
Oncometabolomics
Ultraperformance Liquid Chromatography
Mass Spectrometry
Machine Learning Methods
Support Vector Machines
In Vitro Diagnostic Multivariate Index Assay
Ivdmia
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:11336/30813

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oai_identifier_str oai:ri.conicet.gov.ar:11336/30813
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum MetabolomicsZang, XiaolingJones, Christina M.Long, Tran Q.Monge, Maria EugeniaZhou, ManshuiDeEtte Walker, L.Mezencev, RomanGray, AlexanderMcDonald, John F.Fernandez, Facundo M.Prostate CancerProstate Cancer DetectionUntargeted MetabolomicsOncometabolomicsUltraperformance Liquid ChromatographyMass SpectrometryMachine Learning MethodsSupport Vector MachinesIn Vitro Diagnostic Multivariate Index AssayIvdmiahttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Prostate cancer (PCa) is the second leading cause of cancer-related mortality in men. The prevalent diagnosis method is based on the serum prostate-specific antigen (PSA) screening test, which suffers from low specificity, overdiagnosis, and overtreatment. In this work, untargeted metabolomic profiling of age-matched serum samples from prostate cancer patients and healthy individuals was performed using ultraperformance liquid chromatography coupled to high-resolution tandem mass spectrometry (UPLC-MS/MS) and machine learning methods. A metabolite-based in vitro diagnostic multivariate index assay (IVDMIA) was developed to predict the presence of PCa in serum samples with high classification sensitivity, specificity, and accuracy. A panel of 40 metabolic spectral features was found to be differential with 92.1% sensitivity, 94.3% specificity, and 93.0% accuracy. The performance of the IVDMIA was higher than the prevalent PSA test. Within the discriminant panel, 31 metabolites were identified by MS and MS/MS, with 10 further confirmed chromatographically by standards. Numerous discriminant metabolites were mapped in the steroid hormone biosynthesis pathway. The identification of fatty acids, amino acids, lysophospholipids, and bile acids provided further insights into the metabolic alterations associated with the disease. With additional work, the results presented here show great potential toward implementation in clinical settings.Fil: Zang, Xiaoling. Georgia Institute of Techology; Estados UnidosFil: Jones, Christina M.. Georgia Institute of Techology; Estados UnidosFil: Long, Tran Q.. Georgia Institute of Techology; Estados UnidosFil: Monge, Maria Eugenia. Georgia Institute of Techology; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Zhou, Manshui. Georgia Institute of Techology; Estados UnidosFil: DeEtte Walker, L.. Georgia Institute of Techology; Estados UnidosFil: Mezencev, Roman. Georgia Institute of Techology; Estados UnidosFil: Gray, Alexander. Georgia Institute of Techology; Estados UnidosFil: McDonald, John F.. Georgia Institute of Techology; Estados UnidosFil: Fernandez, Facundo M.. Georgia Institute of Techology; Estados UnidosAmerican Chemical Society2014-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/30813Fernandez, Facundo M.; McDonald, John F.; Gray, Alexander; Mezencev, Roman; DeEtte Walker, L.; Zhou, Manshui; et al.; Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics; American Chemical Society; Journal of Proteome Research; 13; 7; 6-2014; 3444-34541535-3893CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1021/pr500409qinfo:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/pr500409qinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:24:45Zoai:ri.conicet.gov.ar:11336/30813instacron: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 10:24:45.334CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics
title Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics
spellingShingle Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics
Zang, Xiaoling
Prostate Cancer
Prostate Cancer Detection
Untargeted Metabolomics
Oncometabolomics
Ultraperformance Liquid Chromatography
Mass Spectrometry
Machine Learning Methods
Support Vector Machines
In Vitro Diagnostic Multivariate Index Assay
Ivdmia
title_short Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics
title_full Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics
title_fullStr Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics
title_full_unstemmed Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics
title_sort Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics
dc.creator.none.fl_str_mv Zang, Xiaoling
Jones, Christina M.
Long, Tran Q.
Monge, Maria Eugenia
Zhou, Manshui
DeEtte Walker, L.
Mezencev, Roman
Gray, Alexander
McDonald, John F.
Fernandez, Facundo M.
author Zang, Xiaoling
author_facet Zang, Xiaoling
Jones, Christina M.
Long, Tran Q.
Monge, Maria Eugenia
Zhou, Manshui
DeEtte Walker, L.
Mezencev, Roman
Gray, Alexander
McDonald, John F.
Fernandez, Facundo M.
author_role author
author2 Jones, Christina M.
Long, Tran Q.
Monge, Maria Eugenia
Zhou, Manshui
DeEtte Walker, L.
Mezencev, Roman
Gray, Alexander
McDonald, John F.
Fernandez, Facundo M.
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Prostate Cancer
Prostate Cancer Detection
Untargeted Metabolomics
Oncometabolomics
Ultraperformance Liquid Chromatography
Mass Spectrometry
Machine Learning Methods
Support Vector Machines
In Vitro Diagnostic Multivariate Index Assay
Ivdmia
topic Prostate Cancer
Prostate Cancer Detection
Untargeted Metabolomics
Oncometabolomics
Ultraperformance Liquid Chromatography
Mass Spectrometry
Machine Learning Methods
Support Vector Machines
In Vitro Diagnostic Multivariate Index Assay
Ivdmia
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Prostate cancer (PCa) is the second leading cause of cancer-related mortality in men. The prevalent diagnosis method is based on the serum prostate-specific antigen (PSA) screening test, which suffers from low specificity, overdiagnosis, and overtreatment. In this work, untargeted metabolomic profiling of age-matched serum samples from prostate cancer patients and healthy individuals was performed using ultraperformance liquid chromatography coupled to high-resolution tandem mass spectrometry (UPLC-MS/MS) and machine learning methods. A metabolite-based in vitro diagnostic multivariate index assay (IVDMIA) was developed to predict the presence of PCa in serum samples with high classification sensitivity, specificity, and accuracy. A panel of 40 metabolic spectral features was found to be differential with 92.1% sensitivity, 94.3% specificity, and 93.0% accuracy. The performance of the IVDMIA was higher than the prevalent PSA test. Within the discriminant panel, 31 metabolites were identified by MS and MS/MS, with 10 further confirmed chromatographically by standards. Numerous discriminant metabolites were mapped in the steroid hormone biosynthesis pathway. The identification of fatty acids, amino acids, lysophospholipids, and bile acids provided further insights into the metabolic alterations associated with the disease. With additional work, the results presented here show great potential toward implementation in clinical settings.
Fil: Zang, Xiaoling. Georgia Institute of Techology; Estados Unidos
Fil: Jones, Christina M.. Georgia Institute of Techology; Estados Unidos
Fil: Long, Tran Q.. Georgia Institute of Techology; Estados Unidos
Fil: Monge, Maria Eugenia. Georgia Institute of Techology; Estados Unidos. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Zhou, Manshui. Georgia Institute of Techology; Estados Unidos
Fil: DeEtte Walker, L.. Georgia Institute of Techology; Estados Unidos
Fil: Mezencev, Roman. Georgia Institute of Techology; Estados Unidos
Fil: Gray, Alexander. Georgia Institute of Techology; Estados Unidos
Fil: McDonald, John F.. Georgia Institute of Techology; Estados Unidos
Fil: Fernandez, Facundo M.. Georgia Institute of Techology; Estados Unidos
description Prostate cancer (PCa) is the second leading cause of cancer-related mortality in men. The prevalent diagnosis method is based on the serum prostate-specific antigen (PSA) screening test, which suffers from low specificity, overdiagnosis, and overtreatment. In this work, untargeted metabolomic profiling of age-matched serum samples from prostate cancer patients and healthy individuals was performed using ultraperformance liquid chromatography coupled to high-resolution tandem mass spectrometry (UPLC-MS/MS) and machine learning methods. A metabolite-based in vitro diagnostic multivariate index assay (IVDMIA) was developed to predict the presence of PCa in serum samples with high classification sensitivity, specificity, and accuracy. A panel of 40 metabolic spectral features was found to be differential with 92.1% sensitivity, 94.3% specificity, and 93.0% accuracy. The performance of the IVDMIA was higher than the prevalent PSA test. Within the discriminant panel, 31 metabolites were identified by MS and MS/MS, with 10 further confirmed chromatographically by standards. Numerous discriminant metabolites were mapped in the steroid hormone biosynthesis pathway. The identification of fatty acids, amino acids, lysophospholipids, and bile acids provided further insights into the metabolic alterations associated with the disease. With additional work, the results presented here show great potential toward implementation in clinical settings.
publishDate 2014
dc.date.none.fl_str_mv 2014-06
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/11336/30813
Fernandez, Facundo M.; McDonald, John F.; Gray, Alexander; Mezencev, Roman; DeEtte Walker, L.; Zhou, Manshui; et al.; Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics; American Chemical Society; Journal of Proteome Research; 13; 7; 6-2014; 3444-3454
1535-3893
CONICET Digital
CONICET
url http://hdl.handle.net/11336/30813
identifier_str_mv Fernandez, Facundo M.; McDonald, John F.; Gray, Alexander; Mezencev, Roman; DeEtte Walker, L.; Zhou, Manshui; et al.; Feasibility of Detecting Prostate Cancer by Ultraperformance Liquid Chromatography-Mass Spectrometry Serum Metabolomics; American Chemical Society; Journal of Proteome Research; 13; 7; 6-2014; 3444-3454
1535-3893
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1021/pr500409q
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/pr500409q
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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score 13.070432