Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma

Detalhes bibliográficos
Autor(a) principal: Monteiro, Márcia
Data de Publicação: 2014
Outros Autores: Carvalho, Márcia, Henrique, Rui, Jerónimo, Carmen, Moreira, Nathalie, Bastos, Maria de Lourdes, Guedes de Pinho, Paula
Tipo de documento: Artigo
Idioma: eng
Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
Texto Completo: http://hdl.handle.net/10284/10020
Resumo: A new and simple analytical approach consisting of headspace-solid phase microextraction (HS-SPME) sampling coupled with gas chromatography-ion trap/mass spectrometry (GC-IT/MS) was developed to study the volatile human urinary metabolome. A central composite design (CCD) was used in the optimisation of extraction conditions. Fibre selection and evaluation of pH influence were performed using an univariate mode and the influence of other parameters, such as the time and temperature of extraction, time of incubation and salt addition, that affect the efficiency of the SPME sampling, was carried out using a CCD. With a sample volume of 2 mL, the optimal conditions in terms of total response values and reproducibility were achieved by performing analyses with a divinylbenzene/polydimethylsiloxane (DVB/PDMS) fibre, in an acidic pH (pH 2) with the addition of 0.59 g of NaCl, allowing the sample to equilibrate for 9 min and extracting at 68 °C for 24 min. The applicability of the optimised method was then tested in a pilot non-target analysis of urine samples obtained from patients with renal cell carcinoma (RCC) and healthy individuals. Chemometric unsupervised analyses performed on the volatile pattern acquired for these samples clearly showed the potential of volatile urinary metabolome to discriminate between RCC and control patients.
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spelling Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinomaUrineVolatile metabolomic profileRenal cell carcinomaCentral composite designHeadspace solid-phase microextractionGas chromatography-ion trap/mass spectrometryA new and simple analytical approach consisting of headspace-solid phase microextraction (HS-SPME) sampling coupled with gas chromatography-ion trap/mass spectrometry (GC-IT/MS) was developed to study the volatile human urinary metabolome. A central composite design (CCD) was used in the optimisation of extraction conditions. Fibre selection and evaluation of pH influence were performed using an univariate mode and the influence of other parameters, such as the time and temperature of extraction, time of incubation and salt addition, that affect the efficiency of the SPME sampling, was carried out using a CCD. With a sample volume of 2 mL, the optimal conditions in terms of total response values and reproducibility were achieved by performing analyses with a divinylbenzene/polydimethylsiloxane (DVB/PDMS) fibre, in an acidic pH (pH 2) with the addition of 0.59 g of NaCl, allowing the sample to equilibrate for 9 min and extracting at 68 °C for 24 min. The applicability of the optimised method was then tested in a pilot non-target analysis of urine samples obtained from patients with renal cell carcinoma (RCC) and healthy individuals. Chemometric unsupervised analyses performed on the volatile pattern acquired for these samples clearly showed the potential of volatile urinary metabolome to discriminate between RCC and control patients.ElsevierRepositório Institucional da Universidade Fernando PessoaMonteiro, MárciaCarvalho, MárciaHenrique, RuiJerónimo, CarmenMoreira, NathalieBastos, Maria de LourdesGuedes de Pinho, Paula2021-07-02T11:23:06Z2014-01-01T00:00:00Z2014-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10284/10020eng0959-804910.1016/j.ejca.2014.04.011metadata only accessinfo:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2022-09-06T02:09:18Zoai:bdigital.ufp.pt:10284/10020Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T15:46:47.709669Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse
dc.title.none.fl_str_mv Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma
title Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma
spellingShingle Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma
Monteiro, Márcia
Urine
Volatile metabolomic profile
Renal cell carcinoma
Central composite design
Headspace solid-phase microextraction
Gas chromatography-ion trap/mass spectrometry
title_short Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma
title_full Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma
title_fullStr Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma
title_full_unstemmed Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma
title_sort Analysis of volatile human urinary metabolome by solid-phase microextraction in combination with gas chromatography–mass spectrometry for biomarker discovery: application in a pilot study to discriminate patients with renal cell carcinoma
author Monteiro, Márcia
author_facet Monteiro, Márcia
Carvalho, Márcia
Henrique, Rui
Jerónimo, Carmen
Moreira, Nathalie
Bastos, Maria de Lourdes
Guedes de Pinho, Paula
author_role author
author2 Carvalho, Márcia
Henrique, Rui
Jerónimo, Carmen
Moreira, Nathalie
Bastos, Maria de Lourdes
Guedes de Pinho, Paula
author2_role author
author
author
author
author
author
dc.contributor.none.fl_str_mv Repositório Institucional da Universidade Fernando Pessoa
dc.contributor.author.fl_str_mv Monteiro, Márcia
Carvalho, Márcia
Henrique, Rui
Jerónimo, Carmen
Moreira, Nathalie
Bastos, Maria de Lourdes
Guedes de Pinho, Paula
dc.subject.por.fl_str_mv Urine
Volatile metabolomic profile
Renal cell carcinoma
Central composite design
Headspace solid-phase microextraction
Gas chromatography-ion trap/mass spectrometry
topic Urine
Volatile metabolomic profile
Renal cell carcinoma
Central composite design
Headspace solid-phase microextraction
Gas chromatography-ion trap/mass spectrometry
description A new and simple analytical approach consisting of headspace-solid phase microextraction (HS-SPME) sampling coupled with gas chromatography-ion trap/mass spectrometry (GC-IT/MS) was developed to study the volatile human urinary metabolome. A central composite design (CCD) was used in the optimisation of extraction conditions. Fibre selection and evaluation of pH influence were performed using an univariate mode and the influence of other parameters, such as the time and temperature of extraction, time of incubation and salt addition, that affect the efficiency of the SPME sampling, was carried out using a CCD. With a sample volume of 2 mL, the optimal conditions in terms of total response values and reproducibility were achieved by performing analyses with a divinylbenzene/polydimethylsiloxane (DVB/PDMS) fibre, in an acidic pH (pH 2) with the addition of 0.59 g of NaCl, allowing the sample to equilibrate for 9 min and extracting at 68 °C for 24 min. The applicability of the optimised method was then tested in a pilot non-target analysis of urine samples obtained from patients with renal cell carcinoma (RCC) and healthy individuals. Chemometric unsupervised analyses performed on the volatile pattern acquired for these samples clearly showed the potential of volatile urinary metabolome to discriminate between RCC and control patients.
publishDate 2014
dc.date.none.fl_str_mv 2014-01-01T00:00:00Z
2014-01-01T00:00:00Z
2021-07-02T11:23:06Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
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dc.identifier.uri.fl_str_mv http://hdl.handle.net/10284/10020
url http://hdl.handle.net/10284/10020
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv 0959-8049
10.1016/j.ejca.2014.04.011
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dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
instacron:RCAAP
instname_str Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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reponame_str Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
collection Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
repository.name.fl_str_mv Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação
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