A novel strategy for the detection of boldenone undecylenate misuse in cattle using ultra-high performance liquid chromatography coupled to high resolution orbitrap mass spectrometry: from non-targeted to targeted

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dc.creatorDiego Gomes Rocha
dc.creatorRodinei Augusti
dc.creatorAdriana Ferreira Faria
dc.creatorMary Ane Gonçalves Lana
dc.creatorDébora Cristina Sampaio de Assis
dc.creatorAdriana Nori de Macedo
dc.creatorJoane Mariela Miari Corrêa
dc.date.accessioned2023-10-23T20:00:57Z
dc.date.accessioned2025-09-09T00:54:44Z
dc.date.available2023-10-23T20:00:57Z
dc.date.issued2022
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.identifier.doihttps://doi.org/10.1002/dta.3208
dc.identifier.issn1942-7611
dc.identifier.urihttps://hdl.handle.net/1843/59849
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofDrug Testing and Analysis
dc.rightsAcesso Restrito
dc.subjectAnimais - Experimentação
dc.subjectMarcadores biológicos
dc.subjectBovino - Carcaças
dc.subjectCromatografia líquida
dc.subjectPreparação de amostra (Química)
dc.subjectEspectrometria de massa
dc.subjectSoros
dc.subject.otherAnimal experimentation
dc.subject.otherBiomarker
dc.subject.otherBoldenone
dc.subject.otherCattle
dc.subject.otherNon-targeted
dc.titleA novel strategy for the detection of boldenone undecylenate misuse in cattle using ultra-high performance liquid chromatography coupled to high resolution orbitrap mass spectrometry: from non-targeted to targeted
dc.typeArtigo de periódico
local.citation.epage675
local.citation.issue4
local.citation.spage667
local.citation.volume14
local.description.resumoIn this work multivariate strategies were employed in order to highlight new potential biomarkers of interest to detect the exogenous treatment of steers intramuscularly treated with boldenone undecylenate. Serum samples collected from treated (n = 4) and control (n = 8) crossbred animals of varying ages and weights were extracted using a simple sample preparation procedure based on salt assisted liquid–liquid extraction. Data acquisition was performed using liquid chromatography and Q-Exactive™ Orbitrap mass spectrometry. Data processing and treatment were performed using two non-targeted workflows: (1) Compound Discoverer software and (2) XCMS package on the open-source R software combined with MetaboAnalyst. Three potential biomarkers were highlighted taking into account the chromatographic shapes, the feature location on the generated s-plots, the fold change, the adjusted p values, the coefficient of variation in the QC samples and the area under the ROC curves. Predicted formulas based on mass accuracy, structural composition and spectra similarity were proposed. A robust statistical model to predict the boldenone treatment was further developed based on the weighted abundances of the selected biomarkers. The requirements for screening methods were successfully fulfilled, together with a wider detection window in comparison with the monitoring of the deconjugated metabolite boldenone, although biomarker identification studies are still ongoing.
local.identifier.orcidhttps://orcid.org/0000-0002-6699-2474
local.identifier.orcidhttps://orcid.org/0000-0002-7320-4907
local.identifier.orcidhttps://orcid.org/0000-0002-9448-9518
local.identifier.orcidhttps://orcid.org/0000-0002-4125-3755
local.identifier.orcidhttps://orcid.org/0000-0002-3388-6501
local.identifier.orcidhttps://orcid.org/0000-0002-7332-3447
local.publisher.countryBrasil
local.publisher.departmentICX - DEPARTAMENTO DE QUÍMICA
local.publisher.initialsUFMG
local.url.externahttps://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/dta.3208

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