Interlaboratory coverage test on plant food bioactive compounds and their metabolites by mass spectrometry-based untargeted metabolomics

Ville Mikael Koistinen; Andreia Bento da Silva; László Abrankó; Dorrain Low; Rocio Garcia Villalba; Francisco Tomás Barberán; Rikard Landberg; Otto Savolainen; Inmaculada Alvarez-Acero; Sonia de Pascual-Teresa; Christof Van Poucke; Conceição Almeida; Lucie Petrásková; Kateřina Valentová; Stephanie Durand; Wiesław Wiczkowski; Dorota Szawara-Nowak; Raúl González-Domínguez; Rafael Llorach; Cristina Andrés-Lacueva; Anna Marja Aura; Tuulikki Seppänen-Laakso; Kati Hanhineva; Claudine Manach; Maria Rosário Bronze

doi:10.3390/metabo8030046

Interlaboratory coverage test on plant food bioactive compounds and their metabolites by mass spectrometry-based untargeted metabolomics

Ville Mikael Koistinen (Corresponding Author), Andreia Bento da Silva, László Abrankó, Dorrain Low, Rocio Garcia Villalba, Francisco Tomás Barberán, Rikard Landberg, Otto Savolainen, Inmaculada Alvarez-Acero, Sonia de Pascual-Teresa, Christof Van Poucke, Conceição Almeida, Lucie Petrásková, Kateřina Valentová, Stephanie Durand, Wiesław Wiczkowski, Dorota Szawara-Nowak, Raúl González-Domínguez, Rafael Llorach, Cristina Andrés-LacuevaAnna Marja Aura, Tuulikki Seppänen-Laakso, Kati Hanhineva, Claudine Manach, Maria Rosário Bronze

Research output: Contribution to journal › Article › Scientific › peer-review

18 Citations (Scopus)

Abstract

Bioactive compounds present in plant-based foods, and their metabolites derived from gut microbiota and endogenous metabolism, represent thousands of chemical structures of potential interest for human nutrition and health. State-of-the-art analytical methodologies, including untargeted metabolomics based on high-resolution mass spectrometry, are required for the profiling of these compounds in complex matrices, including plant food materials and biofluids. The aim of this project was to compare the analytical coverage of untargeted metabolomics methods independently developed and employed in various European platforms. In total, 56 chemical standards representing the most common classes of bioactive compounds spread over a wide chemical space were selected and analyzed by the participating platforms (n = 13) using their preferred untargeted method. The results were used to define analytical criteria for a successful analysis of plant food bioactives. Furthermore, they will serve as a basis for an optimized consensus method.

Original language	English
Article number	46
Journal	Metabolites
Volume	8
Issue number	3
DOIs	https://doi.org/10.3390/metabo8030046
Publication status	Published - 1 Sept 2018
MoE publication type	Not Eligible

Keywords

Mass spectrometry
Method development
Phytochemicals

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.3390/metabo8030046

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Koistinen, V. M., da Silva, A. B., Abrankó, L., Low, D., Villalba, R. G., Barberán, F. T., Landberg, R., Savolainen, O., Alvarez-Acero, I., de Pascual-Teresa, S., Van Poucke, C., Almeida, C., Petrásková, L., Valentová, K., Durand, S., Wiczkowski, W., Szawara-Nowak, D., González-Domínguez, R., Llorach, R., ... Bronze, M. R. (2018). Interlaboratory coverage test on plant food bioactive compounds and their metabolites by mass spectrometry-based untargeted metabolomics. Metabolites, 8(3), Article 46. https://doi.org/10.3390/metabo8030046

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title = "Interlaboratory coverage test on plant food bioactive compounds and their metabolites by mass spectrometry-based untargeted metabolomics",

abstract = "Bioactive compounds present in plant-based foods, and their metabolites derived from gut microbiota and endogenous metabolism, represent thousands of chemical structures of potential interest for human nutrition and health. State-of-the-art analytical methodologies, including untargeted metabolomics based on high-resolution mass spectrometry, are required for the profiling of these compounds in complex matrices, including plant food materials and biofluids. The aim of this project was to compare the analytical coverage of untargeted metabolomics methods independently developed and employed in various European platforms. In total, 56 chemical standards representing the most common classes of bioactive compounds spread over a wide chemical space were selected and analyzed by the participating platforms (n = 13) using their preferred untargeted method. The results were used to define analytical criteria for a successful analysis of plant food bioactives. Furthermore, they will serve as a basis for an optimized consensus method.",

keywords = "Mass spectrometry, Method development, Phytochemicals",

author = "Koistinen, {Ville Mikael} and {da Silva}, {Andreia Bento} and L{\'a}szl{\'o} Abrank{\'o} and Dorrain Low and Villalba, {Rocio Garcia} and Barber{\'a}n, {Francisco Tom{\'a}s} and Rikard Landberg and Otto Savolainen and Inmaculada Alvarez-Acero and {de Pascual-Teresa}, Sonia and {Van Poucke}, Christof and Concei{\c c}{\~a}o Almeida and Lucie Petr{\'a}skov{\'a} and Kate{\v r}ina Valentov{\'a} and Stephanie Durand and Wies{\l}aw Wiczkowski and Dorota Szawara-Nowak and Ra{\'u}l Gonz{\'a}lez-Dom{\'i}nguez and Rafael Llorach and Cristina Andr{\'e}s-Lacueva and Aura, {Anna Marja} and Tuulikki Sepp{\"a}nen-Laakso and Kati Hanhineva and Claudine Manach and Bronze, {Maria Ros{\'a}rio}",

note = "Funding Information: Funding: This research was funded by the Generalitat de Catalunya{\textquoteright}s Agency AGAUR (grant number 2017 SGR 1546), the Spanish MINECO´s “Juan de la Cierva” programme (grant number FJCI-2015-26590), Spanish National Programme for Research Aimed at the Challenges of Society (AGL2016-76832-R), the Czech Science Foundation (grant number 18-00132S), the European Structural and Investment Funds (grant agreement No. VEKOP-2.3.3-15-2017-00022), and Funda{\c c}{\~a}o para a Ci{\^e}ncia e Tecnologia (grant number LISBOA-01-0145-FEDER-402-022125). Networking support was provided by the COST Action FA1403 POSITIVe (Inter-individual variation in response to consumption of plant food bioactives and determinants involved), supported by COST (European Cooperation in Science and Technology). Publisher Copyright: {\textcopyright} 2018 by the authors; licensee MDPI, Basel, Switzerland. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.",

year = "2018",

month = sep,

day = "1",

doi = "10.3390/metabo8030046",

language = "English",

volume = "8",

journal = "Metabolites",

issn = "2218-1989",

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Koistinen, VM, da Silva, AB, Abrankó, L, Low, D, Villalba, RG, Barberán, FT, Landberg, R, Savolainen, O, Alvarez-Acero, I, de Pascual-Teresa, S, Van Poucke, C, Almeida, C, Petrásková, L, Valentová, K, Durand, S, Wiczkowski, W, Szawara-Nowak, D, González-Domínguez, R, Llorach, R, Andrés-Lacueva, C, Aura, AM, Seppänen-Laakso, T, Hanhineva, K, Manach, C & Bronze, MR 2018, 'Interlaboratory coverage test on plant food bioactive compounds and their metabolites by mass spectrometry-based untargeted metabolomics', Metabolites, vol. 8, no. 3, 46. https://doi.org/10.3390/metabo8030046

TY - JOUR

T1 - Interlaboratory coverage test on plant food bioactive compounds and their metabolites by mass spectrometry-based untargeted metabolomics

AU - Koistinen, Ville Mikael

AU - da Silva, Andreia Bento

AU - Abrankó, László

AU - Low, Dorrain

AU - Villalba, Rocio Garcia

AU - Barberán, Francisco Tomás

AU - Landberg, Rikard

AU - Savolainen, Otto

AU - Alvarez-Acero, Inmaculada

AU - de Pascual-Teresa, Sonia

AU - Van Poucke, Christof

AU - Almeida, Conceição

AU - Petrásková, Lucie

AU - Valentová, Kateřina

AU - Durand, Stephanie

AU - Wiczkowski, Wiesław

AU - Szawara-Nowak, Dorota

AU - González-Domínguez, Raúl

AU - Llorach, Rafael

AU - Andrés-Lacueva, Cristina

AU - Aura, Anna Marja

AU - Seppänen-Laakso, Tuulikki

AU - Hanhineva, Kati

AU - Manach, Claudine

AU - Bronze, Maria Rosário

N1 - Funding Information: Funding: This research was funded by the Generalitat de Catalunya’s Agency AGAUR (grant number 2017 SGR 1546), the Spanish MINECO´s “Juan de la Cierva” programme (grant number FJCI-2015-26590), Spanish National Programme for Research Aimed at the Challenges of Society (AGL2016-76832-R), the Czech Science Foundation (grant number 18-00132S), the European Structural and Investment Funds (grant agreement No. VEKOP-2.3.3-15-2017-00022), and Fundação para a Ciência e Tecnologia (grant number LISBOA-01-0145-FEDER-402-022125). Networking support was provided by the COST Action FA1403 POSITIVe (Inter-individual variation in response to consumption of plant food bioactives and determinants involved), supported by COST (European Cooperation in Science and Technology). Publisher Copyright: © 2018 by the authors; licensee MDPI, Basel, Switzerland. Copyright: Copyright 2018 Elsevier B.V., All rights reserved.

PY - 2018/9/1

Y1 - 2018/9/1

N2 - Bioactive compounds present in plant-based foods, and their metabolites derived from gut microbiota and endogenous metabolism, represent thousands of chemical structures of potential interest for human nutrition and health. State-of-the-art analytical methodologies, including untargeted metabolomics based on high-resolution mass spectrometry, are required for the profiling of these compounds in complex matrices, including plant food materials and biofluids. The aim of this project was to compare the analytical coverage of untargeted metabolomics methods independently developed and employed in various European platforms. In total, 56 chemical standards representing the most common classes of bioactive compounds spread over a wide chemical space were selected and analyzed by the participating platforms (n = 13) using their preferred untargeted method. The results were used to define analytical criteria for a successful analysis of plant food bioactives. Furthermore, they will serve as a basis for an optimized consensus method.

AB - Bioactive compounds present in plant-based foods, and their metabolites derived from gut microbiota and endogenous metabolism, represent thousands of chemical structures of potential interest for human nutrition and health. State-of-the-art analytical methodologies, including untargeted metabolomics based on high-resolution mass spectrometry, are required for the profiling of these compounds in complex matrices, including plant food materials and biofluids. The aim of this project was to compare the analytical coverage of untargeted metabolomics methods independently developed and employed in various European platforms. In total, 56 chemical standards representing the most common classes of bioactive compounds spread over a wide chemical space were selected and analyzed by the participating platforms (n = 13) using their preferred untargeted method. The results were used to define analytical criteria for a successful analysis of plant food bioactives. Furthermore, they will serve as a basis for an optimized consensus method.

KW - Mass spectrometry

KW - Method development

KW - Phytochemicals

UR - http://www.scopus.com/inward/record.url?scp=85053035190&partnerID=8YFLogxK

U2 - 10.3390/metabo8030046

DO - 10.3390/metabo8030046

M3 - Article

AN - SCOPUS:85053035190

SN - 2218-1989

VL - 8

JO - Metabolites

JF - Metabolites

IS - 3

M1 - 46

ER -

Interlaboratory coverage test on plant food bioactive compounds and their metabolites by mass spectrometry-based untargeted metabolomics

Abstract

Keywords

UN SDGs

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