Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept

Autores
Sahragard, Ali; Musatadi, Mikel; Alonso Salces, Rosa Maria; Ayala Cabrera, Juan Francisco; Prieto, Ailette; Miró, Manuel; Olivares, Maitane; Zuloaga, Olatz
Año de publicación
2026
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The knowledge of the actual oral bioaccessibility of phenolic compounds through food intake in the human gut isa key factor for assessing their potential health benefits. To this end, there is a quest to develop advancedanalytical methodologies that are able to expand the chemical space offered by targeted methods. In fact, suspectscreening workflows using high-resolution mass spectrometry might shed light on the vast diversity of phenoliccompounds in food commodities that might be released in the gut fluids. Herein, targeted and suspect screeningassays of phenolic substances in gastric extracts were performed to investigate the relative bioaccessibility ofthese compounds in the crushed solid fruit as compared to the fruit juice intake. The analytical method wasvalidated for 30 phenolic compounds using a targeted workflow in both positive and negative modes, withdynamic linear ranges spanning from 1.0 to 4000 ng/mL and repeatability values ranging from 0.3 to 13.6%under matrix-matched calibration. Validation was performed in a pH-adjusted gastric extract, with the negativemode offering the most sensitive detection for subsequent real sample analysis. Thereafter, suspect screeningworkflows of the phenolic compounds and their plant metabolites were conducted in juiced and crushed fruitsafter the gastric extraction process. The workflow resulted in the confirmation of 8 features with pure standards(level 1), and 24 additional tentative annotations in levels 2–4. The results demonstrated that 59.4% of phenoliccompounds annotated in the gastric extracts have higher relative acid bioaccessibility from the solid fruit, 34.4%higher from the juiced samples, and 6.2% equally distributed. Additionally, the targeted and suspect resultsindicated that there was a significant correlation between the number of phenolic hydroxyls on the relativebioaccessibility of the compounds. However, the relevance of the type of phenolic compounds, e.g., beingflavonoid or non-flavonoid, was not statistically significant. This study aims to provide a holistic perspective onhow the form of food intake (juice versus whole fruit) can be strategically selected according to specific phenoliccompounds to achieve bespoke nutritional and food industry benefits.
Fil: Sahragard, Ali. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;
Fil: Musatadi, Mikel. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;
Fil: Alonso Salces, Rosa Maria. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Sociales. Departamento de Arqueología. Laboratorio de Ecología Evolutiva Humana (Sede Quequén); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina
Fil: Ayala Cabrera, Juan Francisco. Universidad del País Vasco; España
Fil: Prieto, Ailette. Universidad del País Vasco; España
Fil: Miró, Manuel. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;
Fil: Olivares, Maitane. Universidad del País Vasco; España
Fil: Zuloaga, Olatz. Universidad del País Vasco; España
Materia
PHENOLIC COMPOUNDS
SUSPECT SCREENING
RELATIVE BIOACCESSIBILITY
HIGH RESOLUTION MASS SPECTROMETRY
RETENTION TIME INDEXING
FOOD COMMODITIES
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/286332
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/286332
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of conceptSahragard, AliMusatadi, MikelAlonso Salces, Rosa MariaAyala Cabrera, Juan FranciscoPrieto, AiletteMiró, ManuelOlivares, MaitaneZuloaga, OlatzPHENOLIC COMPOUNDSSUSPECT SCREENINGRELATIVE BIOACCESSIBILITYHIGH RESOLUTION MASS SPECTROMETRYRETENTION TIME INDEXINGFOOD COMMODITIEShttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The knowledge of the actual oral bioaccessibility of phenolic compounds through food intake in the human gut isa key factor for assessing their potential health benefits. To this end, there is a quest to develop advancedanalytical methodologies that are able to expand the chemical space offered by targeted methods. In fact, suspectscreening workflows using high-resolution mass spectrometry might shed light on the vast diversity of phenoliccompounds in food commodities that might be released in the gut fluids. Herein, targeted and suspect screeningassays of phenolic substances in gastric extracts were performed to investigate the relative bioaccessibility ofthese compounds in the crushed solid fruit as compared to the fruit juice intake. The analytical method wasvalidated for 30 phenolic compounds using a targeted workflow in both positive and negative modes, withdynamic linear ranges spanning from 1.0 to 4000 ng/mL and repeatability values ranging from 0.3 to 13.6%under matrix-matched calibration. Validation was performed in a pH-adjusted gastric extract, with the negativemode offering the most sensitive detection for subsequent real sample analysis. Thereafter, suspect screeningworkflows of the phenolic compounds and their plant metabolites were conducted in juiced and crushed fruitsafter the gastric extraction process. The workflow resulted in the confirmation of 8 features with pure standards(level 1), and 24 additional tentative annotations in levels 2–4. The results demonstrated that 59.4% of phenoliccompounds annotated in the gastric extracts have higher relative acid bioaccessibility from the solid fruit, 34.4%higher from the juiced samples, and 6.2% equally distributed. Additionally, the targeted and suspect resultsindicated that there was a significant correlation between the number of phenolic hydroxyls on the relativebioaccessibility of the compounds. However, the relevance of the type of phenolic compounds, e.g., beingflavonoid or non-flavonoid, was not statistically significant. This study aims to provide a holistic perspective onhow the form of food intake (juice versus whole fruit) can be strategically selected according to specific phenoliccompounds to achieve bespoke nutritional and food industry benefits.Fil: Sahragard, Ali. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;Fil: Musatadi, Mikel. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;Fil: Alonso Salces, Rosa Maria. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Sociales. Departamento de Arqueología. Laboratorio de Ecología Evolutiva Humana (Sede Quequén); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; ArgentinaFil: Ayala Cabrera, Juan Francisco. Universidad del País Vasco; EspañaFil: Prieto, Ailette. Universidad del País Vasco; EspañaFil: Miró, Manuel. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;Fil: Olivares, Maitane. Universidad del País Vasco; EspañaFil: Zuloaga, Olatz. Universidad del País Vasco; EspañaElsevier Science2026-05info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/286332Sahragard, Ali; Musatadi, Mikel; Alonso Salces, Rosa Maria; Ayala Cabrera, Juan Francisco; Prieto, Ailette; et al.; Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept; Elsevier Science; Microchemical Journal; 224; 5-2026; 1-90026-265XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0026265X26005230info:eu-repo/semantics/altIdentifier/doi/10.1016/j.microc.2026.117321info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-08-25T14:30:40Zoai:ri.conicet.gov.ar:11336/286332instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982026-08-25 14:30:40.849CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept
title Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept
spellingShingle Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept
Sahragard, Ali
PHENOLIC COMPOUNDS
SUSPECT SCREENING
RELATIVE BIOACCESSIBILITY
HIGH RESOLUTION MASS SPECTROMETRY
RETENTION TIME INDEXING
FOOD COMMODITIES
title_short Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept
title_full Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept
title_fullStr Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept
title_full_unstemmed Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept
title_sort Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept
dc.creator.none.fl_str_mv Sahragard, Ali
Musatadi, Mikel
Alonso Salces, Rosa Maria
Ayala Cabrera, Juan Francisco
Prieto, Ailette
Miró, Manuel
Olivares, Maitane
Zuloaga, Olatz
author Sahragard, Ali
author_facet Sahragard, Ali
Musatadi, Mikel
Alonso Salces, Rosa Maria
Ayala Cabrera, Juan Francisco
Prieto, Ailette
Miró, Manuel
Olivares, Maitane
Zuloaga, Olatz
author_role author
author2 Musatadi, Mikel
Alonso Salces, Rosa Maria
Ayala Cabrera, Juan Francisco
Prieto, Ailette
Miró, Manuel
Olivares, Maitane
Zuloaga, Olatz
author2_role author
author
author
author
author
author
author
dc.subject.none.fl_str_mv PHENOLIC COMPOUNDS
SUSPECT SCREENING
RELATIVE BIOACCESSIBILITY
HIGH RESOLUTION MASS SPECTROMETRY
RETENTION TIME INDEXING
FOOD COMMODITIES
topic PHENOLIC COMPOUNDS
SUSPECT SCREENING
RELATIVE BIOACCESSIBILITY
HIGH RESOLUTION MASS SPECTROMETRY
RETENTION TIME INDEXING
FOOD COMMODITIES
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The knowledge of the actual oral bioaccessibility of phenolic compounds through food intake in the human gut isa key factor for assessing their potential health benefits. To this end, there is a quest to develop advancedanalytical methodologies that are able to expand the chemical space offered by targeted methods. In fact, suspectscreening workflows using high-resolution mass spectrometry might shed light on the vast diversity of phenoliccompounds in food commodities that might be released in the gut fluids. Herein, targeted and suspect screeningassays of phenolic substances in gastric extracts were performed to investigate the relative bioaccessibility ofthese compounds in the crushed solid fruit as compared to the fruit juice intake. The analytical method wasvalidated for 30 phenolic compounds using a targeted workflow in both positive and negative modes, withdynamic linear ranges spanning from 1.0 to 4000 ng/mL and repeatability values ranging from 0.3 to 13.6%under matrix-matched calibration. Validation was performed in a pH-adjusted gastric extract, with the negativemode offering the most sensitive detection for subsequent real sample analysis. Thereafter, suspect screeningworkflows of the phenolic compounds and their plant metabolites were conducted in juiced and crushed fruitsafter the gastric extraction process. The workflow resulted in the confirmation of 8 features with pure standards(level 1), and 24 additional tentative annotations in levels 2–4. The results demonstrated that 59.4% of phenoliccompounds annotated in the gastric extracts have higher relative acid bioaccessibility from the solid fruit, 34.4%higher from the juiced samples, and 6.2% equally distributed. Additionally, the targeted and suspect resultsindicated that there was a significant correlation between the number of phenolic hydroxyls on the relativebioaccessibility of the compounds. However, the relevance of the type of phenolic compounds, e.g., beingflavonoid or non-flavonoid, was not statistically significant. This study aims to provide a holistic perspective onhow the form of food intake (juice versus whole fruit) can be strategically selected according to specific phenoliccompounds to achieve bespoke nutritional and food industry benefits.
Fil: Sahragard, Ali. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;
Fil: Musatadi, Mikel. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;
Fil: Alonso Salces, Rosa Maria. Universidad Nacional del Centro de la Provincia de Buenos Aires. Facultad de Ciencias Sociales. Departamento de Arqueología. Laboratorio de Ecología Evolutiva Humana (Sede Quequén); Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Tandil; Argentina
Fil: Ayala Cabrera, Juan Francisco. Universidad del País Vasco; España
Fil: Prieto, Ailette. Universidad del País Vasco; España
Fil: Miró, Manuel. Departamento de Quimica ; Facultad de Ciencias ; Universidad de Las Islas Baleares;
Fil: Olivares, Maitane. Universidad del País Vasco; España
Fil: Zuloaga, Olatz. Universidad del País Vasco; España
description The knowledge of the actual oral bioaccessibility of phenolic compounds through food intake in the human gut isa key factor for assessing their potential health benefits. To this end, there is a quest to develop advancedanalytical methodologies that are able to expand the chemical space offered by targeted methods. In fact, suspectscreening workflows using high-resolution mass spectrometry might shed light on the vast diversity of phenoliccompounds in food commodities that might be released in the gut fluids. Herein, targeted and suspect screeningassays of phenolic substances in gastric extracts were performed to investigate the relative bioaccessibility ofthese compounds in the crushed solid fruit as compared to the fruit juice intake. The analytical method wasvalidated for 30 phenolic compounds using a targeted workflow in both positive and negative modes, withdynamic linear ranges spanning from 1.0 to 4000 ng/mL and repeatability values ranging from 0.3 to 13.6%under matrix-matched calibration. Validation was performed in a pH-adjusted gastric extract, with the negativemode offering the most sensitive detection for subsequent real sample analysis. Thereafter, suspect screeningworkflows of the phenolic compounds and their plant metabolites were conducted in juiced and crushed fruitsafter the gastric extraction process. The workflow resulted in the confirmation of 8 features with pure standards(level 1), and 24 additional tentative annotations in levels 2–4. The results demonstrated that 59.4% of phenoliccompounds annotated in the gastric extracts have higher relative acid bioaccessibility from the solid fruit, 34.4%higher from the juiced samples, and 6.2% equally distributed. Additionally, the targeted and suspect resultsindicated that there was a significant correlation between the number of phenolic hydroxyls on the relativebioaccessibility of the compounds. However, the relevance of the type of phenolic compounds, e.g., beingflavonoid or non-flavonoid, was not statistically significant. This study aims to provide a holistic perspective onhow the form of food intake (juice versus whole fruit) can be strategically selected according to specific phenoliccompounds to achieve bespoke nutritional and food industry benefits.
publishDate 2026
dc.date.none.fl_str_mv 2026-05
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/286332
Sahragard, Ali; Musatadi, Mikel; Alonso Salces, Rosa Maria; Ayala Cabrera, Juan Francisco; Prieto, Ailette; et al.; Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept; Elsevier Science; Microchemical Journal; 224; 5-2026; 1-9
0026-265X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/286332
identifier_str_mv Sahragard, Ali; Musatadi, Mikel; Alonso Salces, Rosa Maria; Ayala Cabrera, Juan Francisco; Prieto, Ailette; et al.; Suspect screening boosts bioaccessibility assays of phenolic compounds in food commodities: A proof of concept; Elsevier Science; Microchemical Journal; 224; 5-2026; 1-9
0026-265X
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0026265X26005230
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.microc.2026.117321
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.24418

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