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Implementing a central composite design for the optimization of solid phase microextraction to establish the urinary volatomic expression: a first approach for breast cancer

2019Journal article Restricted access
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dc.contributor.authorSilva, Catarina L.
dc.contributor.authorPerestrelo, Rosa Maria de Sá
dc.contributor.authorSilva, Pedro
dc.contributor.authorTomás, Helena
dc.contributor.authorCâmara, José
dc.date.accessioned2019-07-10T14:55:50Z
dc.date.available2019-07-10T14:55:50Z
dc.date.issued2019
dc.description.abstractIntroduction Breast cancer (BC) is positioned as the second among all cancers remaining at the top of women´s diseases worldwide followed by colorectum, lung, cervix, and thyroid cancers. The main drawback of most the screening/diagnostic methods is their low sensitivity/specificity and in some cases the invasive procedure required to obtain the samples. Objectives On the present investigation, we report a statistical design was to evaluate by central composite design the influence towards the optimization of the most significant variables of solid-phase microextraction (SPME) procedure for the isolation of volatile organic metabolites (VOMs) from urine of BC patients (N = 31) and healthy individuals (CTL; N = 40). The establishment of the urinary volatomic composition, through gas chromatography-mass spectrometry (GC–MS) analysis, can boost the identification of volatile organic metabolites (VOMs) potential BC biomarkers useful to be used together or to complement the current BC diagnostics tools. Better early detection methods are needed to improve the outcomes of patients with BC. Methods Several combinations of experiments were considered with a central composite design (CCD) of response surface methodology (RSM) for the urinary volatomic pattern. Three-level three-factor CCD was employed assessing the most important extraction-influencing variables—fiber coating, NaCl amount, extraction time and temperature. The optimal conditions were achieved using a carboxen/polydimethylsiloxane fiber with 15% (w/v) NaCl during 75 min at 50 °C. Results A total of ten VOMs belonging to sulfur compounds, terpenoids and carbonyl compounds presented the highest contribution towards discrimination of BC patients from CTL (variable importance in projection (VIP) > 1, p < 0.05). The discrimination efficiency and accuracy of urinary metabolites was ascertained by receiver operating characteristic (ROC) curve analysis that allowed the identification of some metabolites with highest sensitivity and specificity to discriminate the groups. Conclusions The results obtained with this approach suggest the possibility to identify endogenous metabolites as a platform to discovery potential BC biomarkers and paves a way to explore the related metabolomic pathways in order to improve BC diagnostic tools.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationSilva, C. L., Perestrelo, R., Silva, P., Tomás, H., & Câmara, J. S. (2019). Implementing a central composite design for the optimization of solid phase microextraction to establish the urinary volatomic expression: a first approach for breast cancer. Metabolomics, 15(4), 64.pt_PT
dc.identifier.doi10.1007/s11306-019-1525-2pt_PT
dc.identifier.issn1573-3882
dc.identifier.urihttp://hdl.handle.net/10400.13/2477
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherSpringer Verlagpt_PT
dc.relationMadeira Chemistry Research Centre
dc.relationEXPLORING THE VOLATOME OF NONCOMMUNICABLE DISEASES AS A PROMISING, INNOVATIVE AND INTEGRATING APPROACH FOR THEIR RAPID DIAGNOSTICS. THE CASE STUDY OF CANCER AND NEURODEGENERATIVE DISEASES
dc.relationFrom the development of a new nanomaterial-based device to the early disease diagnosis of lung cancer based on the volatomic and proteomic pattern of exhaled breath - Innovative stratey for selective removal of ethyl carbamate from wines through the development of a molecular imprinted polymer coated on celulose nanofibers
dc.subjectCentral composite designpt_PT
dc.subjectBreast cancerpt_PT
dc.subjectUrinept_PT
dc.subjectMetabolomicspt_PT
dc.subjectChemometric toolspt_PT
dc.subject.pt_PT
dc.subjectFaculdade de Ciências Exatas e da Engenhariapt_PT
dc.subjectCentro de Química da Madeira
dc.titleImplementing a central composite design for the optimization of solid phase microextraction to establish the urinary volatomic expression: a first approach for breast cancerpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleMadeira Chemistry Research Centre
oaire.awardTitleEXPLORING THE VOLATOME OF NONCOMMUNICABLE DISEASES AS A PROMISING, INNOVATIVE AND INTEGRATING APPROACH FOR THEIR RAPID DIAGNOSTICS. THE CASE STUDY OF CANCER AND NEURODEGENERATIVE DISEASES
oaire.awardTitleFrom the development of a new nanomaterial-based device to the early disease diagnosis of lung cancer based on the volatomic and proteomic pattern of exhaled breath - Innovative stratey for selective removal of ethyl carbamate from wines through the development of a molecular imprinted polymer coated on celulose nanofibers
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UID%2FQUI%2F00674%2F2019/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/3599-PPCDT/Inn-INDIGO%2F0001%2F2015/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/SFRH/SFRH%2FBD%2F97039%2F2013/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBPD%2F97387%2F2013/PT
oaire.citation.startPage64pt_PT
oaire.citation.titleMetabolomicspt_PT
oaire.citation.volume15(4)pt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream3599-PPCDT
oaire.fundingStreamSFRH
person.familyNameSousa Luís
person.familyNamePerestrelo
person.familyNameTomás
person.familyNameCâmara
person.givenNameCatarina Grace
person.givenNameRosa
person.givenNameHelena
person.givenNameJosé
person.identifierC-1300-2019
person.identifier1441319
person.identifier556975
person.identifierG-3003-2013
person.identifier.ciencia-id9813-3B88-BA8D
person.identifier.ciencia-id251A-D5F7-9E32
person.identifier.ciencia-id4D14-D31E-A8BE
person.identifier.ciencia-id481C-08CE-90E5
person.identifier.orcid0000-0002-3018-3165
person.identifier.orcid0000-0002-7223-1022
person.identifier.orcid0000-0002-7856-2041
person.identifier.orcid0000-0003-1965-3151
person.identifier.ridI-2307-2014
person.identifier.ridE-5991-2010
person.identifier.scopus-author-id57194492726
person.identifier.scopus-author-id16686828800
person.identifier.scopus-author-id6508104177
person.identifier.scopus-author-id10140393000
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsrestrictedAccesspt_PT
rcaap.typearticlept_PT
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