Chromatography; Data processing; FAIR data management; High-resolution mass spectrometry; Ion mobility; Non-target screening; Organic contaminants; Quality assurance and control; Sample preparation; Suspect screening; Pollution
Résumé :
[en] Increasing production and use of chemicals and awareness of their impact on ecosystems and humans has led to large interest for broadening the knowledge on the chemical status of the environment and human health by suspect and non-target screening (NTS). To facilitate effective implementation of NTS in scientific, commercial and governmental laboratories, as well as acceptance by managers, regulators and risk assessors, more harmonisation in NTS is required. To address this, NORMAN Association members involved in NTS activities have prepared this guidance document, based on the current state of knowledge. The document is intended to provide guidance on performing high quality NTS studies and data interpretation while increasing awareness of the promise but also pitfalls and challenges associated with these techniques. Guidance is provided for all steps; from sampling and sample preparation to analysis by chromatography (liquid and gas—LC and GC) coupled via various ionisation techniques to high-resolution tandem mass spectrometry (HRMS/MS), through to data evaluation and reporting in the context of NTS. Although most experience within the NORMAN network still involves water analysis of polar compounds using LC–HRMS/MS, other matrices (sediment, soil, biota, dust, air) and instrumentation (GC, ion mobility) are covered, reflecting the rapid development and extension of the field. Due to the ongoing developments, the different questions addressed with NTS and manifold techniques in use, NORMAN members feel that no standard operation process can be provided at this stage. However, appropriate analytical methods, data processing techniques and databases commonly compiled in NTS workflows are introduced, their limitations are discussed and recommendations for different cases are provided. Proper quality assurance, quantification without reference standards and reporting results with clear confidence of identification assignment complete the guidance together with a glossary of definitions. The NORMAN community greatly supports the sharing of experiences and data via open science and hopes that this guideline supports this effort.
Précision sur le type de document :
Compte rendu
Disciplines :
Chimie
Auteur, co-auteur :
Hollender, Juliane ; Eawag, Swiss Federal Institute of Aquatic Science and Technology, Dübendorf, Switzerland ; Institute of Biogeochemistry and Pollutant Dynamics, ETH Zurich, Zurich, Switzerland
SCHYMANSKI, Emma ; University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB) > Environmental Cheminformatics
Ahrens, Lutz ; Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Uppsala, Sweden
Alygizakis, Nikiforos ; Environmental Institute, Koš, Slovakia ; Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens, Greece
Béen, Frederic ; Chemistry for Environment and Health, Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, Amsterdam, Netherlands ; KWR Water Research Institute, Nieuwegein, Netherlands
Bijlsma, Lubertus ; Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castellón, Spain
Brunner, Andrea M. ; TNO Environmental Modelling Sensing and Analysis, Energy and Materials Transition Unit, Utrecht, Netherlands
Celma, Alberto ; Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Uppsala, Sweden
Fildier, Aurelie ; Institut Des Sciences Analytiques, Univ Lyon, CNRS, Université Claude Bernard Lyon 1, Villeurbanne, France
Fu, Qiuguo ; Helmholtz Centre for Environmental Research, UFZ, Leipzig, Germany
Gago-Ferrero, Pablo ; Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Barcelona, Spain
Gil-Solsona, Ruben ; Institute of Environmental Assessment and Water Research (IDAEA-CSIC), Barcelona, Spain
Haglund, Peter ; Department of Chemistry, Umeå University, Umeå, Sweden
Hansen, Martin ; Department of Environmental Science, Aarhus University, Roskilde, Denmark
Kaserzon, Sarit ; The University of Queensland, Queensland Alliance for Environmental Health Sciences (QAEHS), Woolloongabba, Australia
Kruve, Anneli ; Department of Environmental Science, Stockholm University, Stockholm, Sweden
Lamoree, Marja ; Chemistry for Environment and Health, Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, Amsterdam, Netherlands
Margoum, Christelle ; INRAE, UR RiverLy, Villeurbanne, France
Meijer, Jeroen ; Chemistry for Environment and Health, Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, Amsterdam, Netherlands
Merel, Sylvain ; INRAE, UR RiverLy, Villeurbanne, France
Rauert, Cassandra ; The University of Queensland, Queensland Alliance for Environmental Health Sciences (QAEHS), Woolloongabba, Australia
Rostkowski, Pawel ; The Climate and Environmental Research Institute NILU, Kjeller, Norway
Samanipour, Saer ; Van’t Hoff Institute for Molecular Sciences (HIMS), University of Amsterdam, Amsterdam, Netherlands
Schulze, Bastian ; The University of Queensland, Queensland Alliance for Environmental Health Sciences (QAEHS), Woolloongabba, Australia
Schulze, Tobias ; Helmholtz Centre for Environmental Research, UFZ, Leipzig, Germany
SINGH, Randolph ; University of Luxembourg > Luxembourg Centre for Systems Biomedicine > Environmental Cheminformatics > Team Emma SCHYMANSKI ; Chemical Contamination of Marine Ecosystems Unit, French Research Institute for the Exploitation of the Sea, Nantes, France
Slobodnik, Jaroslav ; Environmental Institute, Koš, Slovakia
Steininger-Mairinger, Teresa ; Department of Chemistry, Institute of Analytical Chemistry, University of Natural Resources and Life Sciences (BOKU), Vienna, Austria
Thomaidis, Nikolaos S. ; Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Athens, Greece
Togola, Anne ; BRGM, Orléans, France
Vorkamp, Katrin ; Department of Environmental Science, Aarhus University, Roskilde, Denmark
Vulliet, Emmanuelle ; Institut Des Sciences Analytiques, Univ Lyon, CNRS, Université Claude Bernard Lyon 1, Villeurbanne, France
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