• Environmental Mutagens and Carcinogens
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• v.21 no.2
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• pp.118-121
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• 2001

The predictive screening of various molecular descriptors for predicting carcinogenic, mutagenic, teratogenic and alkylation activity of chlorinated disinfection byproducts (DBPs) has been investigated for the application of quantitative structure-activity relationships (QSAR). The toxicity index for 29 compounds were computed by the PASS program and active values were employed in this study. Studies show that different descriptors account for the model equation of each genotoxic endpoint and that thermodynamic descriptors significantly played a major role on prediction of endpoints of chlorinated aliphatic compounds.

• Environmental Mutagens and Carcinogens
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• v.21 no.2
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• pp.113-117
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• 2001

The screening of various molecular descriptors for predicting carcinogenic, mutagenic and teratogenic activities of chlorinated aliphatic compounds as drinking water disinfection byproducts (DBPs) has been investigated for the application of quantitative structure-activity relationships (QSAR). The present work embodies the study of relationship between molecular descriptors and toxicity parameters of the genotoxicity endpoints for the screening of relevant molecular descriptors. The toxicity Indices for 29 compounds constituting the testing set were computed by the PASS program and active values were chosen. We investigate feasibility of screening descriptors and of their applications among different genotoxic endpoints. The correlation to teratogenicity of all 29 compounds was significantly improved when the same analysis was done with 20 alkanes only without alkene compounds. The HOMO (highest occupied molecular orbital) energy and number of Cl parameters were dominantly contributed.

• Environmental Engineering Research
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• v.12 no.5
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• pp.224-230
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• 2007

The objectives of this study were to evaluate the change of molecular weight (MW) profiles in natural organic matter (NOM) through various treatment processes (coagulation, granular activated carbon (GAC), and ozonation) using high performance size exclusion chromatography based on ultraviolet absorbance and dissolved organic detection (HPSEC-UVA-DOC). In addition, relationships between MW profiles and disinfection by-production (DBP) formation were evaluated. Each treatment process results in significant different effects on NOM profiles. Coagulation is effective to remove high molecular weight NOM, while GAC is effective to remove low molecular weight NOM. Ozonation removes only a small portion of NOM, while it induces a significant reduction of UV absorbance due to breakdown of the aromatic groups. All treated waters are chlorinated, and chlorination DBPs such as trihalomethanes (THMs) and haloacetic acids (HAAs) are measured under formation potential conditions. Both THM and HAA formation potentials were significantly reduced through the coagulation process. GAC was more effective to reduce THM formation compared to HAA formation reduction, while ozonation showed significant HAA reduction compared to THM reduction.

• Journal of Korean Society of Environmental Engineers
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• v.36 no.1
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• pp.35-41
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• 2014

Trihalomethanes (THMs) are formed as a results of the reaction of residual chlorine, used as a disinfectant in drinking water, with the organic matter in raw water. Although chlorinated and brominated THMs are the most common disinfection byproducts (DBPs) reported, iodinated THMs (I-THMs) can be formed when iodide is present in raw water. I-THMs have been usually associated with several medicinal or pharmaceutical taste and odor problems and is a potential health concern since they have been reported to be more toxic than their brominated and chlorinated analogs. Currently, there is no published standard analytical method for I-THMs in water. An automated headspace-gas chromatography/electron capture detector (GC/ECD) technique was developed for routine analysis of 10 THMs including 6 I-THMs in water samples. The optimization of the method is discussed. The limits of detection (LOD) and limits of quantification (LOQ) range from 12 ng/L to 56 ng/L and from 38 ng/L to 178 ng/L for 10 THMs, respectively. Matrix effects in river water, sea water and wastewater treatment plant (WWTP) final effluent water were investigated and it was shown that the method is suitable for the analysis of trace levels of I-THMs, in a wide range of waters. The method developed in the present study has the advantage of being rapid, simple and sensitive.

• Analytical Science and Technology
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• v.16 no.3
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• pp.249-260
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• 2003

The disinfection of drinking water to control microbial contaminants results in the formation of secondary chemical contaminants, DBPs (disinfection by-products). It was studied the formation pattern of DBPs in drinking raw water after hypochlorite, chlorine disinfectant, was added in this study. It was determined TOC (total organic carbon), residual chlorine, turbidity and DBPs in raw water from Han-river during 1~14 days. Total DBPs was $101.3ng/m{\ell}$ (789.6 nM) after 7days and THMs (trihalomethanes) are the dominant portion of 69%. HAAs (haloacetic acids) and chloral hydrate were determined 19% and 10% respectively, and HANs (haloacetonitriles), HKs (haloketones) and chloropicrin were analyzed in trace level. Chloroform occupied about 89% in total THMs in concentration of $61.5ng/m{\ell}$, 95% of HANs was DCAN (dichloroacetonitrile) in $0.72ng/m{\ell}$, 50% of HAAs was TCAA (trichloroacetic acid). On the study of relationship in formation among the DBPs, HANs forms with THMs competitively to the point of the concentration of $40ng/m{\ell}$ of THMs. For HAAs, it did not show the prominent tendency. But it was observed that the compounds of large oxidation state are formed at first, and becomes to the compounds of low oxidation states.

• Analytical Science and Technology
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• v.17 no.1
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• pp.69-81
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• 2004

The formation pattern of DBPs (disinfection by-products) in raw water treated with hypochlorite, chlorine disinfectant was studied. TOC (total organic carbon), residual chlorine, turbidity and 14 DBPs in raw water from Han-river and Nakdong river during 1 ~ 14 days were determined. Total DBPs in Han river was 101.3 ng/mL (789.6 nM) after 7days and THMs (trihalomethanes) are the dominant portion of 68%. HAAs (haloacetic acids) and chloral hydrate were determined 19% and 10% respectively. In Nakdong river total DBPs was 98.4 ng/mL (678.6 nM) and dominant class was HAAs. (55.8 ng/mL, 57%) THMs(34%) and N-compounds like HANs (haloacetonitriles, 5%) and chloropicrin were increased. It may be explained that high concentration of NH4-N in Nakdong river react with chlorine produced chloramine and this formed different pattern of DBPs. As a result, total DBPs formation pattern depends on raw water and disinfectant and in generally the initial concentration of acidic HAAs was high and THMs was increased gradually.