Thursday, 18 June, 2026
156 molecules referenced in IsoFind with their regulatory thresholds, physico-chemical properties, degradation pathways and compound-specific isotopic signatures. From emerging PFAS to listed pesticides, from analytical service delivery to forensic expertise.
Every molecule in the catalogue carries its regulatory thresholds, physico-chemical properties (Kow, solubility, half-life), degradation pathways and the known isotopic signatures associated with its main industrial sources.
Per- and polyfluoroalkyl substances. Forever chemicals at the heart of European regulations since 2023. The catalogue covers historical PFAS as well as those listed in the 2020 drinking water directive.
Herbicides, fungicides, insecticides and their metabolites. Native distinction between active substances, stable degradation products and markers of diffuse or point-source agricultural pollution.
Polycyclic aromatic hydrocarbons. Tracers of combustion, oil leaks, road tarring. Ratios between PAHs (fluoranthene/pyrene, phenanthrene/anthracene) help distinguish pyrolytic from petrogenic origins.
Polychlorinated biphenyls. Persistent and bioaccumulative. The catalogue includes the 7 indicator NDL (non dioxin-like) congeners and the 12 DL-PCBs with their TEF factors, for sediment and soil assessment.
Trichloroethylene (TCE), tetrachloroethylene (PCE), DCE, VC and their dechlorination pathways. Tracers of legacy industrial sites. CSIA on carbon or chlorine enables diagnosis of natural attenuation in groundwater.
Pharmaceutical residues and personal care products in urban and rural waters. Antibiotics, antidepressants, analgesics, hormones. Strengthened Watch List in the 2024 update.
Polychlorinated dibenzo-p-dioxins (PCDD) and polychlorinated dibenzofurans (PCDF). Ultra-trace compounds from combustion and industrial processes. Assessment via toxic equivalents (WHO-TEQ).
Specific isomers and markers for source attribution in environmental litigation: fuel additives (MTBE, ETBE, BTEX), explosives (TNT, RDX), chemical warfare agents and their degradation products.
Each molecule in the catalogue carries its threshold values according to the applicable frameworks: Water Framework Directive (WFD), Drinking Water Directive (2020/2184), Environmental Quality Standards (EQS), Watch Lists, and sediment-soil reference values.
IsoFind automatically computes compliance at every analytical data import, flags exceedances by family and by sample, and generates the matching report blocks for regulatory deliverable production.
| Molecule | Measurement | Threshold | Status |
|---|---|---|---|
| PFOS | 0.00042 µg/L | 0.00065 µg/L | OK |
| PFOA | 0.087 µg/L | 0.1 µg/L | Margin |
| PFHxS | 0.031 µg/L | 0.1 µg/L (sum 20) | OK |
| PFHpA | 0.012 µg/L | 0.1 µg/L (sum 20) | OK |
| Sum of 20 PFAS | 0.138 µg/L | 0.1 µg/L | Exceeded |
| TFA | 2.4 µg/L | monitoring | Watch |
The molecular catalogue feeds the entire IsoFind chain: automatic column detection at import, regulatory assessment, coupling to isotopic signatures, CSIA simulation and report block generation.
CSV or Excel import. The semantic resolver automatically recognises the standard columns of each family, handles synonyms (PFOS = perfluorooctane sulfonate, etc.) and normalises units.
Each measurement is checked against the applicable framework. Exceedances computed per molecule, per family sum and per sample. Multi-family fingerprint visualisation for rapid diagnosis.
Targeted molecules are cross-referenced with available isotopic signatures (δ13C, δ37Cl, δ15N...). Suggestions for complementary CSIA analyses are generated with their scientific rationale.
For degradable families (chlorinated solvents, pesticides, BTEX), the 3D simulation engine propagates the pollutant with its degradation pathway, the metabolite cascade and the Rayleigh isotopic evolution.
Four dedicated blocks: pollutant inventory, regulatory compliance, isotope-molecule links, molecular fingerprint. Auto-fed by project data, exportable to PDF and ISOF.
Final report sealed with SHA-256, complete audit trail, source file hashes. The reader can trace every exceedance back to the original measurement and its analytical method.
IsoFind Research includes PFAS and pesticides in the free edition. Extended families (PAHs, PCBs, solvents, dioxins, pharmaceuticals, forensic compounds) are available in the Pro edition for consultancies and laboratories.
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