Cited by Risks of Nanoinsecticide Toxicity on Nontarget Species and Their Effects on Environmental Regulatory Considerations

Communicating with Stakeholders to Identify High-Impact Research Directions for Non-Targeted Analysis DOI

Sara L. Nason, James McCord, Yong-Lai Feng

et al.

Analytical Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 30, 2025

Non-targeted analysis (NTA) using high-resolution mass spectrometry without defined chemical targets has the potential to expand and improve monitoring in many fields. Despite rapid advancements within research community, NTA methods data remain underutilized by beneficiaries. To better understand barriers toward widespread adoption, Best Practices for Non-Targeted Analysis (BP4NTA) working group conducted focus meetings follow-up surveys with scientists (n = 61) from various sectors (e.g., drinking water utilities, epidemiologists, n 9) where is expected provide future value. Meeting participants included producers end-users of a wide range familiarity outputs. Discussions focused on identifying specific that limit adoption setting product development priorities. Stated priorities fell into four major categories: 1) education training materials; 2) QA/QC frameworks study design guidance; 3) accessible compound databases libraries; 4) linkages fate toxicity information. Based participant feedback, this manuscript proposes directions, such as standardization materials, BP4NTA other institutions can pursue use application scenarios decision contexts.

Language: Английский

Citations

Quantification Approaches in Non-Target LC/ESI/HRMS Analysis: An Interlaboratory Comparison DOI

Louise Malm, Jaanus Liigand, Reza Aalizadeh

et al.

Analytical Chemistry, Journal Year: 2024, Volume and Issue: 96(41), P. 16215 - 16226

Published: Oct. 1, 2024

Nontargeted screening (NTS) utilizing liquid chromatography electrospray ionization high-resolution mass spectrometry (LC/ESI/HRMS) is increasingly used to identify environmental contaminants. Major differences in the efficiency of compounds ESI/HRMS result widely varying responses and complicate quantitative analysis. Despite an increasing number methods for quantification without authentic standards NTS, approaches are evaluated on limited diverse data sets with chemical coverage collected different instruments, complicating unbiased comparison. In this interlaboratory comparison, organized by NORMAN Network, we accuracy performance variability five across 41 NTS from 37 laboratories. Three based surrogate standard (parent-transformation product, structurally similar or close eluting) two predicted efficiencies (RandFor-

Language: Английский

Citations

ICP-MS As a Contributing Tool to Nontarget Screening (NTS) Analysis for Environmental Monitoring DOI

Jörg Feldmann, Helle Rüsz Hansen,

Thomas Molnár Karlsson

et al.

Environmental Science & Technology, Journal Year: 2024, Volume and Issue: 58(29), P. 12755 - 12762

Published: July 10, 2024

Due to the increasing number of chemicals released into environment, nontarget screening (NTS) analysis is a necessary tool for providing comprehensive chemical environmental pollutants. However, NTS workflows encounter challenges in detecting both known and unknown pollutants with common chromatography high-resolution mass spectrometry (HRMS) methods. Identification unknowns hindered by limited elemental composition information, quantification without identical reference standards prone errors. To address these issues, we propose use inductively coupled plasma (ICP-MS) as an element-specific detector. ICP-MS can enhance confidence compound identification improve due its response unambiguous information. Additionally, balance calculations individual elements (F, Br, Cl, etc.) enable assessment total recovery those evaluation workflows. Despite benefits, implementing regulation requires overcoming certain shortcomings challenges, which are discussed herein.

Language: Английский

Citations

Critical review on in silico methods for structural annotation of chemicals detected with LC/HRMS non-targeted screening DOI

Henrik Hupatz, Ida Rahu,

Wei‐Chieh Wang

et al.

Analytical and Bioanalytical Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Aug. 14, 2024

Abstract Non-targeted screening with liquid chromatography coupled to high-resolution mass spectrometry (LC/HRMS) is increasingly leveraging in silico methods, including machine learning, obtain candidate structures for structural annotation of LC/HRMS features and their further prioritization. Candidate are commonly retrieved based on the tandem spectral information either from or databases; however, vast majority detected remain unannotated, constituting what we refer as a part unknown chemical space. Recently, exploration this space has become accessible through generative models. Furthermore, evaluation benefits complementary empirical analytical such retention time, collision cross section values, ionization type. In critical review, provide an overview current approaches retrieving prioritizing structures. These come own set advantages limitations, showcase example ten known features. We emphasize that these limitations stem both experimental computational considerations. Finally, highlight three key considerations future development silico methods. Graphical

Language: Английский

Citations

Worst case scenario for chronic mixed ecotoxicity, assessment of ecological and human health risks from contaminants in an important economic harbor connected to the Mediterranean Sea, Egypt DOI

Gehan M. El Zokm, Ghada F. El‐Said, Suzan El-Gharabawy

et al.

The Science of The Total Environment, Journal Year: 2025, Volume and Issue: 970, P. 178975 - 178975

Published: March 1, 2025

Language: Английский

Citations

Comprehensive Mass Spectrometry Workflows to Systematically Elucidate Transformation Processes of Organic Micropollutants: A Case Study on the Photodegradation of Four Pharmaceuticals DOI

Rick Helmus,

Ingrida Bagdonaite,

Pim de Voogt

et al.

Environmental Science & Technology, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 14, 2025

Organic micropollutants (OMPs) in the aquatic environment challenge conventional water treatment processes. Advanced oxidation processes, such as UV photolysis, serve effective strategies to remove OMPs. However, these often yield unknown transformation products (TPs). High-resolution mass spectrometry (HRMS)-based non-target analysis (NTA) is commonly used screen large numbers of chemicals but faces specific challenges low concentrations compounds interest, lack reference standards, and need for sophisticated data workflows when TP identification. This article describes comprehensive study photolysis-related processes resulting TPs, by combining an automated photodegradation setup HRMS advanced NTA approaches. Four pharmaceuticals were successfully degraded a case study, 38 features effectively prioritized from complex sample matrices identified TPs through complementary approaches developed this work. The structurally diverse mostly novel. Semi-quantitation suggested that explained relevant part parent removal. are step toward systematic beyond. openly available data-processing tools enhance repositories algorithms support studies general.

Language: Английский

Citations

Quantification of chemicals in non-targeted analysis without analytical standards – Understanding the mechanism of electrospray ionization and making predictions DOI

Trevor A. Johnson, Dimitri Abrahamsson

Current Opinion in Environmental Science & Health, Journal Year: 2023, Volume and Issue: 37, P. 100529 - 100529

Published: Dec. 19, 2023

Language: Английский

Citations

Risks of Nanoinsecticide Toxicity on Nontarget Species and Their Effects on Environmental Regulatory Considerations DOI

Paramasivam Deepak,

Thiyagarajulu Nathiya,

Chinnamani Prasannakumar

et al.

Nanotechnology in the life sciences, Journal Year: 2024, Volume and Issue: unknown, P. 167 - 198

Published: Jan. 1, 2024

Language: Английский

Citations