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TITLE

Prioritization of organic chemicals using non-target analysis: From basic to advanced chemicals analysis


ABSTRACT

¡¡¡¡More than 120 million chemicals have been registered in the Chemical Abstracts Service (CAS) database, and the widespread use of various organic chemicals from land-based human activity means that they eventually reach the marine environment. Although a few chemicals have been regulated by international and domestic authorities, a scientific method of prioritizing emerging pollutants should be developed to effectively manage emerging pollutants in the marine environment. In this study, an occurrence-based method for this using non-target screening analysis (NTSA) with gas chromatography/quadrupole-time-of-flight (GC/Q-TOF) was developed. Surface seawater, sediment, and biota samples were collected from the Ulsan Bay in Korea in 2014. A total ion chromatogram (TIC) was used to identify 208 target compounds by matching retention times to monitor and confirm ions using the library. Among the 208 target contaminants, 68, 97, and 106 compounds were detected in seawater, sediment, and biota samples, respectively. After target screening analysis, the NTSA was also performed to identify unknown chemicals in the various media matrices. The TIC chromatogram was deconvoluted using the Unknown Analysis software, and the mass spectrum of each compound from the resulting deconvoluted ion chromatogram (DIC) was used to identify non-targeted compounds using the NIST library. In this study, approximately 4000 compounds were detected in the seawater, sediment, and biota samples. From the target screening analysis, the predominantly identified compounds were polychlorinated biphenyls (PCBs), organochlorine pesticides (OCPs), polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs), polybrominated diphenyl ethers (PBDEs), and polycyclic aromatic hydrocarbons (PAHs), which are monitored contaminants in the Korean coastal environment by the government institute. For the non-target screening analysis, several chemical groups such as siloxanes, phthalates, musk fragrances, organophosphate flame retardants (OPFRs), and chlorinated flame retardants were identified from the various media samples, implying that they could become strong candidates for marine environment monitoring in Korea. The approach and systematic framework proposed in the present study can be effectively utilized as a scientific-based decision-making procedure for prioritization to manage the emerging pollutants in the marine environment.