NORMAN guidance on suspect and non-target screening in environmental monitoring

Environmental Sciences Europe, Год журнала: 2023, Номер 35(1)

Опубликована: Сен. 4, 2023

Abstract Increasing production and use of chemicals awareness their impact on ecosystems humans has led to large interest for broadening the knowledge chemical status environment human health by suspect non-target screening (NTS). To facilitate effective implementation NTS in scientific, commercial governmental laboratories, as well acceptance managers, regulators risk assessors, more harmonisation is required. address this, NORMAN Association members involved activities have prepared this guidance document, based current state knowledge. The document intended provide performing high quality studies data interpretation while increasing promise but also pitfalls challenges associated with these techniques. Guidance provided all steps; from sampling sample preparation analysis chromatography (liquid gas—LC GC) coupled via various ionisation techniques high-resolution tandem mass spectrometry (HRMS/MS), through evaluation reporting context NTS. Although most experience within network still involves water polar compounds using LC–HRMS/MS, other matrices (sediment, soil, biota, dust, air) instrumentation (GC, ion mobility) are covered, reflecting rapid development extension field. Due ongoing developments, different questions addressed manifold use, feel that no standard operation process can be at stage. However, appropriate analytical methods, processing databases commonly compiled workflows introduced, limitations discussed recommendations cases provided. Proper assurance, quantification without reference standards results clear confidence identification assignment complete together a glossary definitions. community greatly supports sharing experiences open science hopes guideline effort.

Язык: Английский

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Advances in suspect screening and non-target analysis of polar emerging contaminants in the environmental monitoring

TrAC Trends in Analytical Chemistry, Год журнала: 2022, Номер 154, С. 116671 - 116671

Опубликована: Май 9, 2022

Язык: Английский

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Thin-layer chromatography coupled with HPLC-DAD/UHPLC-HRMS for target and non-target determination of emerging halogenated organic contaminants in animal-derived foods

Food Chemistry, Год журнала: 2022, Номер 404, С. 134678 - 134678

Опубликована: Окт. 29, 2022

Язык: Английский

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Analysis of chemical contaminants in fish using high resolution mass spectrometry – A review

Trends in Environmental Analytical Chemistry, Год журнала: 2024, Номер 42, С. e00227 - e00227

Опубликована: Фев. 3, 2024

Язык: Английский

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Biological studies with comprehensive 2D-GC-HRMS screening: Exploring the human sweat volatilome

Talanta, Год журнала: 2023, Номер 257, С. 124333 - 124333

Опубликована: Фев. 8, 2023

A key issue in GCxGC-HRMS data analysis is how to approach large-sample studies an efficient and comprehensive way. We have developed a semi-automated data-driven workflow from identification suspect screening, which allows highly selective monitoring of each identified chemical dataset. The example dataset used illustrate the potential consisted human sweat samples 40 participants, including field blanks (80 samples). These been collected Horizon 2020 project investigate capacity body odour communicate emotion influence social behaviour. dynamic headspace extraction, extraction with high preconcentration capability, has date only for few biological applications. were able detect set 326 compounds diverse range classes (278 compounds, 39 class unknowns, 9 true unknowns). Unlike partitioning-based methods, method detects semi-polar (log P < 2) nitrogen oxygen-containing compounds. However, it unable certain acids due pH conditions unmodified samples. believe that our framework will open up possibility efficiently using wide applications such as environmental studies.

Язык: Английский

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Evaluation of GC-EI&CI-TOFMS for Nontarget Analysis of Industrial Wastewater Using Hydrophilic–Lipophilic-Balanced SPME

Analytical Chemistry, Год журнала: 2024, Номер 96(16), С. 6122 - 6130

Опубликована: Апрель 11, 2024

The evaluation of nontarget analysis (NTA) techniques for the monitoring wastewater is important as an anthropogenic pollution source aquatic ecosystems and a threat to human environmental health. This study presents proof-of-concept NTA industrial samples. A prototype hydrophilic–lipophilic-balanced (HLB) SPME gas chromatography interfaced with time-of-flight high-resolution mass spectrometry (GC-TOFMS) electron ionization (EI) chemical (CI) in parallel are employed. HLB-SPME consists poly(divinylbenzene-co-N-vinylpyrrolidone) structure, allowing extraction hydrophilic well lipophilic substances. As combination CI EI data provides comprehensive set unique feature, this strongly focused on compound identification procedure confidence reporting exemplary Furthermore, use three different reagent ions, including [N2H]+/[N4H]+, [H3O]+, [NH4]+, enables broad range analytes be ionized terms selectivity softness. complementary information provided by allows level 3 or higher 69% cases. polarity coverage based physicochemical properties (such volatility, water solubility, hydrophilicity, lipophilicity) was visualized using Henry's law octanol–water partitioning constants. In conclusion, presented approach shown valuable enhanced accelerated compared utilizing only one type ionization.

Язык: Английский

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Comprehensive Screening of Anthropogenic and Natural Organohalogen Compounds in 11 Species of Toothed Whales Stranded along Japanese Coasts: Species-Specific Accumulation Profiles and Potential Indicators for Understanding Their Habitats

Environmental Science & Technology, Год журнала: 2025, Номер unknown

Опубликована: Фев. 14, 2025

Comprehensive screening studies have revealed the accumulation of a large number routinely unmonitored organohalogen compounds (OHCs) in cetaceans. However, these previous targeted only limited whale species. In this study, we conducted and quantitative analyses to comprehensively identify OHCs accumulated 48 adult male blubber samples 11 species elucidate species-specific profiles. A total 313 were detected samples. Quantification semiquantification results for anthropogenic halogenated natural products (HNPs) showed compound- patterns. Polychlorinated terphenyls Cl5–7-substituted homologues dichlorodiphenyldichloroethylenes significantly coastal cetaceans, whereas hexachlorocyclohexanes hexachlorobenzene more prominent cold-water species, suggesting influence mobility from sources. addition, cluster analysis specific HNP profiles different habitats. Therefore, profile each can be useful indicator their habitat migration patterns as may reflect interspecies differences exposure associated with habitat-specific preys.

Язык: Английский

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Development of a sensitive method for the quantitative analysis of 34 organophosphate esters in seabird eggs, liver, and fish liver tissue

Frontiers in Environmental Chemistry, Год журнала: 2025, Номер 6

Опубликована: Фев. 26, 2025

Organophosphate esters (OPEs) are a diverse group of synthetic organic chemicals used in variety plastics as plasticizers, flame retardants, and other application. OPEs were initially considered to pose minimal environmental risk. However, there has been increasing evidence that can undergo long-range transport into remote areas such the Canadian Arctic via air, water, or associated plastic particles. Moreover, seabirds with high loads ingested have found elevated concentrations OPEs, suggesting containing might act sources biota. Further research OPE mixtures biota exposed is warranted. Yet, existing methods for analysis typically cover fewer than 20 few tissue types. Here we present method 34 seabird eggs liver tissue, well fish using ultrasound assistant extraction, solid-phase extraction clean-up, high-performance liquid chromatography coupled atmospheric pressure chemical ionization high-resolution mass-spectrometry. The validated showed good linearity (R 2 &gt; 0.99), average recoveries native isotope-labelled analytes between 70% 120%, inter-day precision 2.25% 25.4% (median &lt;15%). included this new enables investigation broad range physical-chemical properties applications samples. detection highly non-polar highlights need further bioaccumulation potential these substances. detected up 147 ng g −1 ww metabolite Bis(1,3-dichloro-2-propyl) phosphate (BDCP) livers show animals chlorinated even if they not detectable tissue.

Язык: Английский

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Utilization of Negative Chemical Ionization to Expand Nontargeted Screening of Halogenated Organics in Great Lakes Top Predator Fish

Environmental Science & Technology, Год журнала: 2025, Номер unknown

Опубликована: Март 4, 2025

Nontargeted screening (NTS) of halogenated contaminants in biota is part the routine monitoring Great Lakes ecosystem. NTS can give insight into new chemicals with possible persistent, bioaccumulative, and toxic (PBT) properties help quantify known PBT's degradation transformation products. The most common ionization technique for electron impact (EI) due to consistent easily standardized fragmentation patterns. This research uses capture negative (ECNI) as a complementary broaden range detected Lakes. ECNI has higher sensitivity selectivity compounds compared EI. GC × GC-HR-ToF MS multimode ion source (MMS) offers consecutive runs EI modes using same chromatographic setup, facilitating retention time alignment. exact mass measurements identifying found only ECNI. A total 85 novel features were detected, 78% which Only 9% both modes, indicating that necessary features.

Язык: Английский

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Community Needs and Proposed Solutions for a Broadly Applicable Standard/QC Mixture for High-Resolution Mass Spectrometry-Based Non-Targeted Analysis

Analytical Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Март 5, 2025

Non-targeted analysis (NTA) using high-resolution mass spectrometry (HRMS) is a global chemical screening approach that generates information-rich data which can be used to detect and identify unknown chemicals. NTA powerful increasingly being for variety of sample types, research fields, goals. However, there are challenges associated with accurate assessments quality method performance, comparability across laboratories/instruments/methods, communication results/confidence. A standard mixture containing sufficient number diversity chemicals would help address these needs, but not yet commercially available. Thus, we conducted survey 146 researchers examine desired requirements the broad studies, goals where applied. We also compare this feedback previously published in-house mixtures, which, argue, models adjusted fit community's needs possibly commercialized. Reversed-phase liquid chromatography HRMS one most common methods NTA; therefore, focused on characteristics necessary types methods. intend information communicate need an interdisciplinary mixture, importance implementing standards, lower barriers vendor development distribution.

Язык: Английский

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