Uncovering the distribution patterns and origins of organophosphate esters (OPEs) in the Yellow River Estuary via high-resolution mass spectrometry

Limited information is available regarding the pollution status of organophosphate esters (OPEs) in the environment of the Yellow River estuary. Here, n = 51 sediment samples were collected from the Yellow River estuary in 2021, and further analyzed by using the integrated target, suspect, and feature fragment-dependent nontarget OPE screening strategy developed in our laboratory. Among the 30 target OPEs, 19 were detectable in at least one of the analyzed samples, with total concentrations (Σ19OPEs) ranging from of 41.4 to 1930 ng/g dry weight (dw). On the basis of an in-house suspect compound database, we further tentatively identified 11 suspect OPEs, and they were semi-quantified. Furthermore, four other interesting findings were observed and described as follows: 1) a statistically significant difference existed in the concentrations of OPEs in sediment samples between the lower reaches of the Yellow River (n = 5 samples), and the Yellow River estuary (n = 46 samples) (unpaired t-test, p < 0.001); 2) tris(2,4-di-tert-butylphenyl)phosphate (TDTBPP) exhibited the greatest concentrations (ranging from 30.7 to 1920 ng/g dw) among all OPEs detected in the sediment samples; 3) samples from the north of the Yellow River estuary had higher OPE concentrations than those from the south; and 4) a suspect screening strategy allowed us to identify a novel OPE structure (tert-butyl)phenyl (ethyne-oxidane) bis(2,4-di-tert-butylphenyl) phosphate (TPBDTP) that exhibited a highly positive correlation relationship with TDTBPP (r = 0.749; p < 0.001). Overall, this study provided evidence that OPEs (especially TDTBPP) were ubiquitous in the sediment environment of the Yellow River estuary; thus, we emphasize that continuous monitoring of OPE pollution should be conducted in this region.