Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods

Mining and other essential economic activities have a long historical contamination impact on diverse aquatic environments, such as the Doce River Basin (DRB), in Southeast Brazil. High concentrations of metals combined with organic chemicals released from multiple sources of contaminants may trigge...

ver descrição completa

Detalhes bibliográficos
Autores: Yamamoto, Flávia Y., Batista, Larissa A., Santos, Mayara P., Bedia, Carmen, Lacorte, Silvia, Cavalcante, Rivelino M., Grassi, Marco T., de Souza Abessa, Denis M., Tauler, Romà
Formato: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2025
País:España
Recursos:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/417698
Acesso em linha:http://hdl.handle.net/10261/417698
https://api.elsevier.com/content/abstract/scopus_id/105000817464
Access Level:acceso embargado
Palavra-chave:ROIMCR chemometrics approach
Environmental complex mixtures
Metabolome
http://metadata.un.org/sdg/11
http://metadata.un.org/sdg/3
http://metadata.un.org/sdg/9
Ensure healthy lives and promote well-being for all at all ages
Build resilient infrastructure, promote inclusive and sustainable industrialization and foster innovation
Make cities and human settlements inclusive, safe, resilient and sustainable
id ES_9b1bf1d0704dbefc83ec89533ce24ff1
oai_identifier_str oai:digital.csic.es:10261/417698
network_acronym_str ES
network_name_str España
repository_id_str
dc.title.none.fl_str_mv Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods
title Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods
spellingShingle Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods
Yamamoto, Flávia Y.
ROIMCR chemometrics approach
Environmental complex mixtures
Metabolome
http://metadata.un.org/sdg/11
http://metadata.un.org/sdg/3
http://metadata.un.org/sdg/9
Ensure healthy lives and promote well-being for all at all ages
Build resilient infrastructure, promote inclusive and sustainable industrialization and foster innovation
Make cities and human settlements inclusive, safe, resilient and sustainable
title_short Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods
title_full Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods
title_fullStr Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods
title_full_unstemmed Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods
title_sort Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methods
dc.creator.none.fl_str_mv Yamamoto, Flávia Y.
Batista, Larissa A.
Santos, Mayara P.
Bedia, Carmen
Lacorte, Silvia
Cavalcante, Rivelino M.
Grassi, Marco T.
de Souza Abessa, Denis M.
Tauler, Romà
author Yamamoto, Flávia Y.
author_facet Yamamoto, Flávia Y.
Batista, Larissa A.
Santos, Mayara P.
Bedia, Carmen
Lacorte, Silvia
Cavalcante, Rivelino M.
Grassi, Marco T.
de Souza Abessa, Denis M.
Tauler, Romà
author_role author
author2 Batista, Larissa A.
Santos, Mayara P.
Bedia, Carmen
Lacorte, Silvia
Cavalcante, Rivelino M.
Grassi, Marco T.
de Souza Abessa, Denis M.
Tauler, Romà
author2_role author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv ROIMCR chemometrics approach
Environmental complex mixtures
Metabolome
http://metadata.un.org/sdg/11
http://metadata.un.org/sdg/3
http://metadata.un.org/sdg/9
Ensure healthy lives and promote well-being for all at all ages
Build resilient infrastructure, promote inclusive and sustainable industrialization and foster innovation
Make cities and human settlements inclusive, safe, resilient and sustainable
topic ROIMCR chemometrics approach
Environmental complex mixtures
Metabolome
http://metadata.un.org/sdg/11
http://metadata.un.org/sdg/3
http://metadata.un.org/sdg/9
Ensure healthy lives and promote well-being for all at all ages
Build resilient infrastructure, promote inclusive and sustainable industrialization and foster innovation
Make cities and human settlements inclusive, safe, resilient and sustainable
description Mining and other essential economic activities have a long historical contamination impact on diverse aquatic environments, such as the Doce River Basin (DRB), in Southeast Brazil. High concentrations of metals combined with organic chemicals released from multiple sources of contaminants may trigger complex toxicity pathways that are complicated to interpret and distinguish. This study aimed to investigate mechanisms of toxicity of environmental chemicals from DRB using a comprehensive untargeted LC-HRMS metabolomics approach (data-independent acquisition of all ion-fragmentation mode), in fish embryos (Rhamdia quelen) exposed to complex chemical mixtures. The Regions of Interest (ROI) Multivariate Curve Resolution (MCR) approach was applied to compress and resolve data-independent acquisition (DIA) LC-MS/MS complex datasets mode. Fish embryos exposed for 96 h to 6 treatment sample groups showed a distinct pattern of responses when compared to controls, with downregulated essential metabolites, such as amino acids, as a main response, especially for metal exposure. Organic contaminants extracted from sediments combined with inorganic elements have shown non-additive effects, with inorganics possibly exerting greater influence on metabolic responses. The results helped to investigate and distinguish the effects of different complex mixtures of environmental chemicals on fish embryo samples. ROIMCR approach is shown to be a suitable strategy for the analysis of large metabolomics-derived data in the investigation of the effects of different classes of environmental chemicals on aquatic biota and ecosystems.
publishDate 2025
dc.date.none.fl_str_mv 2025
2026
2026
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Postprint
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/417698
https://api.elsevier.com/content/abstract/scopus_id/105000817464
url http://hdl.handle.net/10261/417698
https://api.elsevier.com/content/abstract/scopus_id/105000817464
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv The Science of the total environment
https://doi.org/10.1016/j.scitotenv.2025.179158
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/embargoedAccess
eu_rights_str_mv embargoedAccess
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv reponame:DIGITAL.CSIC. Repositorio Institucional del CSIC
instname:Consejo Superior de Investigaciones Científicas (CSIC)
instname_str Consejo Superior de Investigaciones Científicas (CSIC)
reponame_str DIGITAL.CSIC. Repositorio Institucional del CSIC
collection DIGITAL.CSIC. Repositorio Institucional del CSIC
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869414477453066240
spelling Elucidating mechanisms of action of environmental contaminants from Doce River in Brazilian fish embryos using metabolomics and chemometric methodsYamamoto, Flávia Y.Batista, Larissa A.Santos, Mayara P.Bedia, CarmenLacorte, SilviaCavalcante, Rivelino M.Grassi, Marco T.de Souza Abessa, Denis M.Tauler, RomàROIMCR chemometrics approachEnvironmental complex mixturesMetabolomehttp://metadata.un.org/sdg/11http://metadata.un.org/sdg/3http://metadata.un.org/sdg/9Ensure healthy lives and promote well-being for all at all agesBuild resilient infrastructure, promote inclusive and sustainable industrialization and foster innovationMake cities and human settlements inclusive, safe, resilient and sustainableMining and other essential economic activities have a long historical contamination impact on diverse aquatic environments, such as the Doce River Basin (DRB), in Southeast Brazil. High concentrations of metals combined with organic chemicals released from multiple sources of contaminants may trigger complex toxicity pathways that are complicated to interpret and distinguish. This study aimed to investigate mechanisms of toxicity of environmental chemicals from DRB using a comprehensive untargeted LC-HRMS metabolomics approach (data-independent acquisition of all ion-fragmentation mode), in fish embryos (Rhamdia quelen) exposed to complex chemical mixtures. The Regions of Interest (ROI) Multivariate Curve Resolution (MCR) approach was applied to compress and resolve data-independent acquisition (DIA) LC-MS/MS complex datasets mode. Fish embryos exposed for 96 h to 6 treatment sample groups showed a distinct pattern of responses when compared to controls, with downregulated essential metabolites, such as amino acids, as a main response, especially for metal exposure. Organic contaminants extracted from sediments combined with inorganic elements have shown non-additive effects, with inorganics possibly exerting greater influence on metabolic responses. The results helped to investigate and distinguish the effects of different complex mixtures of environmental chemicals on fish embryo samples. ROIMCR approach is shown to be a suitable strategy for the analysis of large metabolomics-derived data in the investigation of the effects of different classes of environmental chemicals on aquatic biota and ecosystems.The authors acknowledge the financial support from the São Paulo Research Foundation (FAPESP) through the research grant Process 2020/14688-8 and 2016/15229-1, and the financial support from the Spanish Ministry of Economy, Industry, and Competitiveness (MINECO) for project PID2019-105732GB-C21. Flavia thanks CNPq for the fellowship (Process 102570/2024-8) and DMSA thanks CNPq for the financial support (grants #308533/2018-6 and #313420/2023-8). Additionally, the authors would like to thank for the kind support from the technicians of the Mass Spectrometry-Special Techniques Service (Roser Chaler Ferrer and Alexandre Garcia Barrera), as well as the staff of the different laboratories (Cell Toxicology Laboratory-UFPR (Professor Ciro A. Oliveira Ribeiro), Environmental Chemistry Group-UFPR, Chemometrics Research Group from IDAEA-CSIC) and a special thanks to Ana Schafaschek, Luiza S. Barreto and Yuri Rodrigues for the assistance in the fish embryo toxicity test, and Dr. Steven Melvin for the assistance in the experimental design. Finally, the authors also thank the support from the staff of the Panama fish farm for the fish spawning procedures and fertilizations for obtaining fish embryos.Peer reviewedElsevierConsejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202620262025info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Postprintinfo:eu-repo/semantics/acceptedVersionhttp://hdl.handle.net/10261/417698https://api.elsevier.com/content/abstract/scopus_id/105000817464reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)InglésThe Science of the total environmenthttps://doi.org/10.1016/j.scitotenv.2025.179158Síinfo:eu-repo/semantics/embargoedAccessoai:digital.csic.es:10261/4176982026-05-22T06:33:51Z
score 15,812455

Registos relacionados