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The chemical space for non-target analysis
TrAC Trends in Analytical Chemistry, 2017Abstract The review describes chemical space, i.e. the set of known and possible compounds, and presents the use of corresponding chemical data in non-target analysis. Its implementation is briefly considered. General and dedicated chemical databases are outlined. Citation and co-citation of chemical compounds in databases are considered.
Boris L. Milman, Inna K. Zhurkovich
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Contaminants in water: non-target UHPLC/MS analysis
Environmental Chemistry Letters, 2015Contamination of water resources is one of the major problems to be faced for environment preservation and sustainability. The monitoring of target compounds based on mass spectrometry and selected reaction monitoring mode is often insufficient to definitely assess the quality of surface water.
Gosetti, F +3 more
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Quantitative Non-Targeted Analysis: From Data to Decisions
2022Poster for NTA Focused Topic Meeting on May 22-26, 2022 in Durham, NC Science Inventory, CCTE products: https://cfpub.epa.gov/si/si_public_search_results.cfm?advSearch=true&showCriteria=2&keyword=CCTE&TIMSType=&TIMSSubTypeID=&epaNumber=&ombCat=Any&dateBeginPublishedPresented=07/01/2017&dateEndPublishedPresented=& ...
Sobus, Jon +12 more
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Uncertainty estimation strategies for quantitative non-targeted analysis
Analytical and Bioanalytical Chemistry, 2022Non-targeted analysis (NTA) methods are widely used for chemical discovery but seldom employed for quantitation due to a lack of robust methods to estimate chemical concentrations with confidence limits. Herein, we present and evaluate new statistical methods for quantitative NTA (qNTA) using high-resolution mass spectrometry (HRMS) data from EPA's Non-
Louis C. Groff +12 more
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Non-targeted analysis for organic components of microplastic leachates
Science of The Total Environment, 2022Organic components of microplastic leachates were investigated in an integrated non-targeted analysis study that included statistical analysis on leachates generated under different leaching scenarios. Leaching experiments were undertaken with simulated gastric fluid (SGF), river water, and seawater with common polymer types, including polyethylene ...
Yubo, Li +6 more
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