[Show abstract][Hide abstract] ABSTRACT: Due to their high carcinogenicity, the control of nitrosamines, a group of disinfection by-products (DBPs), is an important issue for drinking water supplies. In this study, a method using ultra-performance liquid chromatography-electrospray ionization tandem mass spectrometry was improved for simultaneously analyzing nine nitrosamines in source water and finished water samples of twelve drinking water treatment plants (DWTPs) in China. The method detection limits of the nine target analytes were 0.2-0.9 ng/L for the source water samples and 0.1-0.7 ng/L for the finished water samples. Of the nine nitrosamines, six (N-nitrosodimethylamine (NDMA), nitrosodiethylamine (NDEA), N-nitrosomorpholine (NMor), N-nitrosodi-n-butylamine (NDBA), N-nitrosomethylethylamine (NMEA), and N-nitrosodiphenylamine (NDPhA)) were detected. The total nitrosamine concentrations in source water and finished water samples were no detection-42.4 ng/L and no detection-26.3 ng/L, respectively, and NDMA (no detection-13.9 ng/L and no detection-20.5 ng/L, respectively) and NDEA (no detection-16.3 ng/L and no detection-14.0 ng/L, respectively) were the most abundant. Meanwhile, the occurrence of nine secondary amines corresponding to the nine nitrosamines was also investigated. All of them except for di-n-propylamine were detected in some source water and finished water samples, and dimethylamine (no detection-3.9 μg/L and no detection-4.0 μg/L, respectively) and diethylamine (no detection-2.4 μg/L and no detection-1.8 μg/L, respectively) were the most abundant ones. Controlled experiments involving chloramination of four secondary amines confirmed that dimethylamine, diethylamine, morpholine and di-n-butylamine in water can form the corresponding nitrosamines, with diethylamine and morpholine showing significantly higher yields than dimethylamine which has already been identified as a precursor of NDMA. This study proved that diethylamine, morpholine and di-n-butylamine detected in raw water would be one of the important the precursors of NDEA, NMOR and NDBA, respectively, in drinking water.
Water Research 07/2011; 45(16):4930-8. DOI:10.1016/j.watres.2011.06.041 · 5.53 Impact Factor
[Show abstract][Hide abstract] ABSTRACT: The method for detecting N-nitrosodimethylamine (NDMA) in drinking water using ultra performance liquid chromatography (UPLC) coupled with tandem mass spectrometry (MS/MS) was improved by optimizing the clean-up procedure to remove the matrix interference in pretreatment process, and was then applied to a survey of NDMA in both raw and finished water samples from five water treatment plants in South China. The NDMA concentrations ranged from 4.7 to 15.1 ng/L in raw water samples, and from 4.68 to 46.9 ng/L in finished water. The NDMA concentration in raw water was found to be related with nitrite concentration, and during the treatment, the NDMA concentration increased following ozonation but decreased after subsequent activated carbon treatment.
[Show abstract][Hide abstract] ABSTRACT: Antibiotics are of concern because of their widespread usage, their potential role in the spread and maintenance of bacterial resistance, and because of the selection pressure on microbes. In this study, the genotoxic potential of 20 quinolone antibacterials, including 5 first-generation, 8 second-generation, and 7 third-generation quinolones, was determined. While all of the antibacterials studied showed genotoxic potential, the molar concentration for each antibacterial that produces 10% (EC10) of the maximum response of corresponding antibacterial ranged from 0.61 to 2917.0 nM, and was greatly dependent on chemical structures. A quantitative structure-activity relationship (QSAR) was established by applying a quantum chemical modeling method to determine the factors required for the genotoxic potential of quinolone antibacterials. The octanol-water coefficient (logP(ow)) adjusted bythe pH and energies of the highest occupied molecular orbital (epsilon(HOMO)) and lowest unoccupied molecular orbital (epsilon(LUMO)) were selected as hydrophobic and electronic chemical descriptors, respectively. The genotoxic potentials of quinolone antibacterials were found to be dependent on their logP(ow) and epsilon(HOMO), while the effects of epsilon(LUMO) on the genotoxic potentials could not be identified. The QSAR model was also used to predict the genotoxic potentials for 14 quinolone antibacterials, including 1 second-generation, 2 third-generation, and 11 fourth-generation quinolone antibacterials. A correlation between the genotoxic potentials and their minimal inhibition concentrations (MIC50) against Streptococcus pneumoniae from the literature for 18 quinolone antibacterials was observed, providing a potential method to estimate MIC50.