Partitioning behavior and mechanism of polyhalogenated carbazoles in water and suspended particulate matter

Polyhalogenated carbazoles (PHCZs), known as new dioxin-like compounds, are a new class of emerging environmental contaminants that have received increasing attention in recent years due to their wide distribution and dioxin-like toxicity. This study investigated the partition characteristics and adsorption mechanisms of eight PHCZs in the aqueous phase and suspended particulate matter (SPM). The competitive impact of humic acid (HA) on the adsorption of PHCZs was revealed when the effects of various environmental conditions (HA, temperature, perturbation disturbance, and pH) behavior were explored. The key finding of this study is that SPM, which is its effective vector, could adsorb 70.7 % of & sigma;PHCZs. The equilibrium adsorption amount is ranked as 3,6-ICZ > 3,6-BCZ > 2,7BCZ > 3,6-CCZ > 1,3,6,8-BCZ > 3-BCZ > 2-BCZ > CZ. The halogen species, the degree of halogenation, and the substitution position of the PHCZs influence the amount of adsorption, where the log Kow values, the steric effect (Es), and the density contribute the most to the amount of adsorption, and the specific adsorption mechanisms are van der Waals force, & pi;-& pi;, hydrogen bonding, and nonspecific hydrophobic interactions. The adsorption reaction of PHCZs by SPM is endothermic, and the amount of adsorption increases with increasing temperature, oscillation velocity, and decrease in pH. HA may reduce the adsorption sites of hydroxyl, carbonyl, amide groups, and & pi;-& pi; bonds on SPM for PHCZs, while the SPM@HA conjugates can provide new sites for the adsorption of PHCZs. According to the experimental findings of this study, SPM plays a significant role in contaminant transport. As a result, when conducting environmental investigations of PHCZs and even other hydrophobic contaminants, we must fully consider the level of contaminants present in SPM to reveal the ecological risks accurately.

Automated summary

This study investigated the partition characteristics and adsorption mechanisms of eight polyhalogenated carbazoles (PHCZs) in aquatic systems. The results showed that suspended particulate matter (SPM) has a high adsorption capacity for PHCZs, with the adsorption amount influenced by the halogen species, degree of halogenation, and substitution position. The adsorption mechanisms involve van der Waals force, π-π interactions, hydrogen bonding, and nonspecific hydrophobic interactions. The findings highlight the significant role of SPM in contaminant transport and emphasize the importance of considering SPM in environmental investigations of PHCZs.