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
- Institución
- Consejo Nacional de Investigaciones Científicas y Técnicas
- OAI Identificador
- oai:ri.conicet.gov.ar:11336/30813
Ver los metadatos del registro completo
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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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1844614244499193856 |
score |
13.070432 |