Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling

Recently, environmental proteomics has revealed its potential to find biomarkers for human health, as part of wastewater-based epidemiology. However, current analytical strategies for conducting environmental proteomics studies face challenges, including high instrumental costs and the time required...

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Detalles Bibliográficos
Autores: Pérez-López, Carlos, Sánchez-Jiménez, Ester, Abián, Joaquín, Barceló, Damià, Ginebreda Martí, Antoni, Carrascal, Montserrat
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:España
Institución:Consejo Superior de Investigaciones Científicas (CSIC)
Repositorio:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/380679
Acceso en línea:http://hdl.handle.net/10261/380679
https://digital.csic.es/handle/10261/379232
Access Level:acceso abierto
Palabra clave:Aquasearch
Biomarkers analysis
Environmental proteomics
MALDI-TOF
Water-based epidemiology
http://metadata.un.org/sdg/3
http://metadata.un.org/sdg/6
Ensure healthy lives and promote well-being for all at all ages
Ensure availability and sustainable management of water and sanitation for all
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dc.title.none.fl_str_mv Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling
title Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling
spellingShingle Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling
Pérez-López, Carlos
Aquasearch
Biomarkers analysis
Environmental proteomics
MALDI-TOF
Water-based epidemiology
http://metadata.un.org/sdg/3
http://metadata.un.org/sdg/6
Ensure healthy lives and promote well-being for all at all ages
Ensure availability and sustainable management of water and sanitation for all
title_short Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling
title_full Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling
title_fullStr Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling
title_full_unstemmed Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling
title_sort Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profiling
dc.creator.none.fl_str_mv Pérez-López, Carlos
Sánchez-Jiménez, Ester
Abián, Joaquín
Barceló, Damià
Ginebreda Martí, Antoni
Carrascal, Montserrat
author Pérez-López, Carlos
author_facet Pérez-López, Carlos
Sánchez-Jiménez, Ester
Abián, Joaquín
Barceló, Damià
Ginebreda Martí, Antoni
Carrascal, Montserrat
author_role author
author2 Sánchez-Jiménez, Ester
Abián, Joaquín
Barceló, Damià
Ginebreda Martí, Antoni
Carrascal, Montserrat
author2_role author
author
author
author
author
dc.contributor.none.fl_str_mv Agencia Estatal de Investigación (España)
Ministerio de Ciencia, Innovación y Universidades (España)
Generalitat de Catalunya
Universidad de Barcelona
Carrascal, Montserrat [0000-0002-0205-2176]
Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]
dc.subject.none.fl_str_mv Aquasearch
Biomarkers analysis
Environmental proteomics
MALDI-TOF
Water-based epidemiology
http://metadata.un.org/sdg/3
http://metadata.un.org/sdg/6
Ensure healthy lives and promote well-being for all at all ages
Ensure availability and sustainable management of water and sanitation for all
topic Aquasearch
Biomarkers analysis
Environmental proteomics
MALDI-TOF
Water-based epidemiology
http://metadata.un.org/sdg/3
http://metadata.un.org/sdg/6
Ensure healthy lives and promote well-being for all at all ages
Ensure availability and sustainable management of water and sanitation for all
description Recently, environmental proteomics has revealed its potential to find biomarkers for human health, as part of wastewater-based epidemiology. However, current analytical strategies for conducting environmental proteomics studies face challenges, including high instrumental costs and the time required for sample management. These costs can become even higher when analysis must be repeated due to experimental issues. Therefore, using MALDI-TOF is proposed as a viable and cost-effective method for the initial screening of environmental proteomics samples, allowing for preliminary sample characterization and ensuring sample quality. MALDI-TOF represents a greener alternative compared to other proteomic techniques, as its faster analysis times and reduced reagent and energy consumption contribute to lower environmental impact. However, the signals obtained from MALDI-TOF analysis must be further analyzed to achieve peptide identification and protein inference. In this work, we present Aquasearch, a novel software application designed to identify protein biomarkers from MALDI-TOF raw data. Aquasearch incorporates a comprehensive database of tryptic peptides derived from previously identified biomarkers by our research group. We have validated the effectiveness and accuracy of this tool in identifying protein biomarkers through the analysis of a set of wastewater samples. Additionally, this information was utilized in multisampling, allowing the unsupervised clustering of samples with similar proteomic profiles. Overall, Aquasearch facilitates the initial screening of proteomics samples using a straightforward approach and ensures the effectiveness of subsequent in-depth analyses. Aquasearch and its source code are available at https://github.com/cplqam/IDAEA-IIBB_Aquasearch.
publishDate 2025
dc.date.none.fl_str_mv 2025
2025
2025
dc.type.none.fl_str_mv info:eu-repo/semantics/article
http://purl.org/coar/resource_type/c_6501
Publisher's version
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/10261/380679
https://digital.csic.es/handle/10261/379232
url http://hdl.handle.net/10261/380679
https://digital.csic.es/handle/10261/379232
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv #PLACEHOLDER_PARENT_METADATA_VALUE#
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info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-114065RB-C22
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-114065RB-C21
info:eu-repo/grantAgreement/AEI//CEX2018-000794-S
The underlying dataset has been published as supplementary material of the article in the publisher platform at https://doi.org/10.1016/j.greeac.2025.100205
https://doi.org/10.1016/j.greeac.2025.100205
Sí
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier BV
publisher.none.fl_str_mv Elsevier BV
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
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spelling Aquasearch: Enhancing green environmental proteomics via MALDI-TOF-based sewage water profilingPérez-López, CarlosSánchez-Jiménez, EsterAbián, JoaquínBarceló, DamiàGinebreda Martí, AntoniCarrascal, MontserratAquasearchBiomarkers analysisEnvironmental proteomicsMALDI-TOFWater-based epidemiologyhttp://metadata.un.org/sdg/3http://metadata.un.org/sdg/6Ensure healthy lives and promote well-being for all at all agesEnsure availability and sustainable management of water and sanitation for allRecently, environmental proteomics has revealed its potential to find biomarkers for human health, as part of wastewater-based epidemiology. However, current analytical strategies for conducting environmental proteomics studies face challenges, including high instrumental costs and the time required for sample management. These costs can become even higher when analysis must be repeated due to experimental issues. Therefore, using MALDI-TOF is proposed as a viable and cost-effective method for the initial screening of environmental proteomics samples, allowing for preliminary sample characterization and ensuring sample quality. MALDI-TOF represents a greener alternative compared to other proteomic techniques, as its faster analysis times and reduced reagent and energy consumption contribute to lower environmental impact. However, the signals obtained from MALDI-TOF analysis must be further analyzed to achieve peptide identification and protein inference. In this work, we present Aquasearch, a novel software application designed to identify protein biomarkers from MALDI-TOF raw data. Aquasearch incorporates a comprehensive database of tryptic peptides derived from previously identified biomarkers by our research group. We have validated the effectiveness and accuracy of this tool in identifying protein biomarkers through the analysis of a set of wastewater samples. Additionally, this information was utilized in multisampling, allowing the unsupervised clustering of samples with similar proteomic profiles. Overall, Aquasearch facilitates the initial screening of proteomics samples using a straightforward approach and ensures the effectiveness of subsequent in-depth analyses. Aquasearch and its source code are available at https://github.com/cplqam/IDAEA-IIBB_Aquasearch.We thank Eloi Buisan for technical assistance in the GUI development. This work has been supported by the Spanish Ministry of Science and Innovation (MICINN, Spain) (Project No's. PID2020-114065RB-C22 and PID2020-114065RB-C21) and by the Government of Catalonia (2021 SGR 00753). This work has been carried out within the framework of the doctoral program in Environmental Science and Technology at the Autonomous University of Barcelona. Carlos Pérez-López acknowledges the Predoctoral Scholarship FPI 2019–090182 included in the Grant CEX2018-000794-S funded by MCIU/AEI/10.13039/501100011033.Peer reviewedElsevier BVAgencia Estatal de Investigación (España)Ministerio de Ciencia, Innovación y Universidades (España)Generalitat de CatalunyaUniversidad de BarcelonaCarrascal, Montserrat [0000-0002-0205-2176]Consejo Superior de Investigaciones Científicas [https://ror.org/02gfc7t72]202520252025info:eu-repo/semantics/articlehttp://purl.org/coar/resource_type/c_6501Publisher's versioninfo:eu-repo/semantics/publishedVersionapplication/pdfhttp://hdl.handle.net/10261/380679https://digital.csic.es/handle/10261/379232reponame:DIGITAL.CSIC. Repositorio Institucional del CSICinstname:Consejo Superior de Investigaciones Científicas (CSIC)Inglés#PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE##PLACEHOLDER_PARENT_METADATA_VALUE#info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-114065RB-C22info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2020-114065RB-C21info:eu-repo/grantAgreement/AEI//CEX2018-000794-SThe underlying dataset has been published as supplementary material of the article in the publisher platform at https://doi.org/10.1016/j.greeac.2025.100205https://doi.org/10.1016/j.greeac.2025.100205Síinfo:eu-repo/semantics/openAccessoai:digital.csic.es:10261/3806792026-05-22T06:33:51Z
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