Toxicity of disinfection byproducts formed during the chlorination of sulfamethoxazole, norfloxacin, and 17β-estradiol in the presence of bromide

Zhang, Yuanyuan; Zhu, Yunjie; Shao, Yanan; Rong, Chuan; Pan, Zihan; Deng, Jie

Toxicity of disinfection byproducts formed during the chlorination of sulfamethoxazole, norfloxacin, and 17β-estradiol in the presence of bromide

2021

Brominated disinfection byproducts (Br-DBPs) are formed during the disinfection process of water containing bromine ions, such as marine aquaculture water. Little attention has been paid to Br-DBPs with anthropogenic chemicals as precursors. This study summarized the sodium hypochlorite (NaClO) oxidation of three frequently used pharmaceuticals, including two antibiotics, norfloxacin (NOR) and sulfamethoxazole (SMX), and the growth hormone estrogen 17β-estradiol (E2). Transformations of the pharmaceuticals were found to be faster in marine aquaculture water than in distilled water. Several Br-DBPs and Cl-DBPs were identified for NOR, SMX, and E2. It was shown that the carboxyl group, piperazine ring, C3, and C8 atoms were the primary reaction sites on NOR. The aniline moiety and S-N bond were identified to be the reaction sites on SMX. The C2, C4, C9, and C16 atoms were the potential reaction centers on E2. Preliminary calculation by QSAR model indicated that the value of logKow significantly increased with an increase in the number of bromine atoms in the Br-DBPs. The results of the bioconcentration factors (BCF) analysis suggested that the bioaccumulation of Br-DBPs were greater than that chlorinated DBPs (Cl-DBPs) in distilled water.

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