Nason Sara L, McCord James, Feng Yong-Lai, Sobus Jon R, Fisher Christine M, Marfil-Vega Ruth, Phillips Allison L, Johnson Gregory, Sloop John, Bayen Stéphane, Mutlu Esra, Batt Angela L, Nahan Keaton
Connecticut Agricultural Experiment Station, 123 Huntington Street, New Haven, Connecticut 06511, United States.
Center for Environmental Measurement and Modeling, Office of Research and Development, U.S. Environmental Protection Agency, 109 TW Alexander Drive, Research Triangle Park, North Carolina 27711, United States.
Anal Chem. 2025 Feb 11;97(5):2567-2578. doi: 10.1021/acs.analchem.4c04801. Epub 2025 Jan 30.
Non-targeted analysis (NTA) using high-resolution mass spectrometry without defined chemical targets has the potential to expand and improve chemical monitoring in many fields. Despite rapid advancements within the research community, NTA methods and data remain underutilized by many potential beneficiaries. To better understand barriers toward widespread adoption, the Best Practices for Non-Targeted Analysis (BP4NTA) working group conducted focus group meetings and follow-up surveys with scientists (n = 61) from various sectors (e.g., drinking water utilities, epidemiologists, n = 9) where NTA is expected to provide future value. Meeting participants included producers and end-users of NTA data with a wide range of familiarity with NTA methods and outputs. Discussions focused on identifying specific barriers that limit adoption and on setting NTA product development priorities. Stated priorities fell into four major categories: 1) education and training materials; 2) QA/QC frameworks and study design guidance; 3) accessible compound databases and libraries; and 4) NTA data linkages with chemical fate and toxicity information. Based on participant feedback, this manuscript proposes research directions, such as standardization of training materials, that BP4NTA and other institutions can pursue to expand NTA use in various application scenarios and decision contexts.
使用高分辨率质谱法进行的非靶向分析（NTA），无需确定化学目标，有潜力在许多领域扩展和改进化学监测。尽管研究界取得了快速进展，但NTA方法和数据仍未被许多潜在受益者充分利用。为了更好地理解广泛采用的障碍，非靶向分析最佳实践（BP4NTA）工作组与来自不同部门（如饮用水公用事业、流行病学家，n = 9）的科学家（n = 61）举行了焦点小组会议并进行了后续调查，预计NTA将在这些领域提供未来价值。会议参与者包括NTA数据的生产者和最终用户，他们对NTA方法和输出的熟悉程度各不相同。讨论的重点是确定限制采用的具体障碍，并确定NTA产品开发的优先事项。提出的优先事项分为四大类：1）教育和培训材料；2）质量保证/质量控制框架和研究设计指南；3）可访问的化合物数据库和库；4）NTA数据与化学归宿和毒性信息的联系。基于参与者的反馈，本手稿提出了一些研究方向，如培训材料的标准化，BP4NTA和其他机构可以据此在各种应用场景和决策背景下扩大NTA的使用。
