{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,11]],"date-time":"2026-09-11T12:13:40Z","timestamp":1789128820185,"version":"build-2803163510"},"reference-count":40,"publisher":"Wiley","issue":"1","license":[{"start":{"date-parts":[[2022,11,10]],"date-time":"2022-11-10T00:00:00Z","timestamp":1668038400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"content-domain":{"domain":["analyticalsciencejournals.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["J of Separation Science"],"published-print":{"date-parts":[[2023,1]]},"abstract":"<jats:p>A nontarget screening method was developed based on D\u2010optimal designs for ultra\u2010high performance supercritical fluid chromatography with positive and negative electrospray ionization mode mass spectrometry. A mixture of organic contaminants such as pesticides, steroids, surfactants, phenolic and fatty acids, and polycyclic aromatic hydrocarbon derivatives, was used for the optimization. An aprotic mixture of dichloromethane and acetone [3:1] performed overall best as the injection solvent. The highest peak capacities (<jats:italic>n<\/jats:italic>) were accomplished at the shallowest gradient (1%B\/min), ammonium formate (<jats:italic>n<\/jats:italic> = 378 in negative ionization mode), or ammonium acetate (<jats:italic>n<\/jats:italic> = 327\u00a0in positive ionization mode) in methanol as the modifier. Capillary voltage, make\u2010up solvent flow rate, water, and additive concentration were the most significant factors for improving peak intensity: higher peak intensities were obtained at lower additive concentrations (5mM ammonium formate), and with 5% water in positive ionization mode. Conversely, water had detrimental effects in negative ionization mode. The optimized method was used to quantify organic contaminants in 17 freshwater sediment samples from Copenhagen, Denmark. Out of 50 monitored contaminants, 35 were detected in at least one sample. Further, the method has a potential for target and nontarget screening analysis of organic contaminants in solid matrices.<\/jats:p>","DOI":"10.1002\/jssc.202200668","type":"journal-article","created":{"date-parts":[[2022,10,29]],"date-time":"2022-10-29T03:24:50Z","timestamp":1667013890000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Ultra\u2010high\u2010performance supercritical fluid chromatography\u2010mass spectrometry for the analysis of organic contaminants in sediments"],"prefix":"10.1002","volume":"46","author":[{"given":"Josephine S.","family":"L\u00fcbeck","sequence":"first","affiliation":[{"name":"Department of Plant and Environmental Sciences Analytical Chemistry Group University of Copenhagen  Frederiksberg Denmark"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jan H.","family":"Christensen","sequence":"additional","affiliation":[{"name":"Department of Plant and Environmental 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