{
  "abstract": "Discovery and quantification of hazardous mobile substances in environmental waters are challenged by their poor retention in solid-phase extraction (SPE) or reversed-phase (RP) liquid chromatography (LC). Here we employed a test-mixture of 218 diverse analytes (log P -4.8 to 7.9) and tested 13 columns to optimize and validate two complementary on-line SPE-LC workflows to maximize analytical coverage for a range of hydrophobic and hydrophilic analytes in target and non-target analysis. When combining the on-line SPE-RPLC and -mixed-mode (MM)LC methods developed here, each consuming only 1-2 mL sample per injection, we detected 206 of 218 analytes with median absolute recovery of 96% and median method detection limit of 1 ng/L. The SPE MMLC method enabled expanded chemical-space coverage for smaller, more polar and ionic analytes. When applied to 21 urban stormwater samples, 46 target analytes were quantified, including 1,3-diphenylguanidine (42-5200 ng/L), diphenyl phosphate (5.6-550 ng/L) and perfluorohexanoic acid (5.0-11 ng/L) in all samples. Many of the non-target annotations (level 2a) were unique to the RPLC (N=100) or MMLC methods (N=95), demonstrating broader analytical coverage by their complementarity application. Annotations included many known anthropogenic chemicals from traffic and urban activity, as well as novel discoveries such as the tire-wear compound isomer N-(4-methylpentan-2-yl)-N-phenylbenzene-1,4-diamine.",
  "abstract_shown": true,
  "affiliations": [
    "Department of Environmental Science, Stockholm University, Svante Arrhenius Väg 16, Stockholm, Sweden",
    "National Facility for Exposomics, SciLifeLab Solna, Tomtebodavägen 23, Solna, Sweden",
    "Science for Life Laboratory (SciLifeLab, Stockholm University, Tomtebodavägen 23, Solna, Sweden"
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 4,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "May Britt Rian",
      "orcid": "0000-0001-6153-2164"
    },
    {
      "affs": [
        0,
        1
      ],
      "name": "Bénilde Bonnefille",
      "orcid": "0000-0001-5141-7111"
    },
    {
      "affs": [
        0
      ],
      "name": "Adrià Sunyer-Caldú",
      "orcid": "0000-0001-5134-1196"
    },
    {
      "affs": [
        0,
        2
      ],
      "name": "Jonathan W. Martin",
      "orcid": "0000-0001-6265-4294"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/64zrf19fdfbjb.bib",
  "cited_by": 0,
  "doi": "10.26434/chemrxiv.15008087/v1",
  "fulltext_url": null,
  "id": "64zrf19fdfbjb",
  "issns": [],
  "landing_url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008087/v1",
  "language": null,
  "licence": "CC-BY-NC-ND",
  "licence_label": "CC BY-NC-ND",
  "licence_source": "journal",
  "licence_url": "https://creativecommons.org/licenses/by-nc-nd/4.0/",
  "metadata_licence": null,
  "native_subjects": [
    [
      "openalex",
      "1602|Analytical chemistry methods development"
    ]
  ],
  "openalex": "W7204786987",
  "pdf_url": "https://chemrxiv.org/doi/pdf/10.26434/chemrxiv.15008087/v1",
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-31",
  "publisher": "American Chemical Society (ACS)",
  "ris": "https://research.draconitic.com/paper/64zrf19fdfbjb.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:17Z",
      "native_id": "10.26434/chemrxiv.15008087",
      "source": "chemrxiv",
      "url": "https://chemrxiv.org/doi/full/10.26434/chemrxiv.15008087/v1"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1602|Analytical chemistry methods development",
      "subfield": "analytical"
    }
  ],
  "title": "Mixed-Mode On-Line SPE-LC Broadens Analytical Coverage for Non-Target Discovery of Mobile Chemicals in Water",
  "title_text": "Mixed-Mode On-Line SPE-LC Broadens Analytical Coverage for Non-Target Discovery of Mobile Chemicals in Water",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:17Z",
  "url": "https://research.draconitic.com/paper/64zrf19fdfbjb",
  "venue": "ChemRxiv",
  "versions": []
}