• Title/Summary/Keyword: halogenated aromatic compounds

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Comparative Molecular Field Analysis of Dioxins and Dioxin-like Compounds

  • Ashek, Ali;Cho, Seung-Joo
    • Molecular & Cellular Toxicology
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    • v.1 no.3
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    • pp.157-163
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    • 2005
  • Because of their widespread occurrence and substantial biological activity, halogenated aromatic hydrocarbons are one of the important classes of contaminants in the environment. We have performed comparative molecular field analysis (CoMFA) on structurally diverse ligands of Ah (dioxin) receptor to explore the physico-chemical requirements for binding. All CoMFA models have given $q^{2}$ value of more than 0.5 and $r^{2}$ value of more than 0.83. The predictive ability of the models was validated by an external test set, which gave satisfactory predictive $r^{2}$ values. Best predictions were obtained with CoMFA model of combined modified training set ($q^{2}=0.631,\;r^{2}=0.900$), giving predictive residual value = 0.002 log unit for the test compound. We have suggested a model comprises of four structurally different compounds, which offers a good predictability for various ligands. Our QSAR model is consistent with all previously established QSAR models with less structurally diverse ligands. The implications of the CoMFA/QSAR model presented herein are explored with respect to quantitative hazard identification of potential toxicants.

Isolation of 2,4,5-Trichlorophenoxyacetic Acid-Degrading Bacteria (2,4,5-trichlorophenoxyacetic acid 를 분해하는 세균의 분리)

  • Park, Young-Doo;Eum, Jin-Seong
    • Korean Journal of Soil Science and Fertilizer
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    • v.33 no.1
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    • pp.47-51
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    • 2000
  • 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)-degrading bacterial strains were isolated from rice field and field in suburbs of Taejon. Of the total 100 isolates, 19 strains were selected by fast growth on solid minimal media containing 2,4,5-T as a sole of carbon and energy, and they were identified to genus level. 11 strains were identified as Pseudomonas, 4 strains as Acinetobacter, 1 strains were as Alcaliagenes and 3 strains were not identified. Strains MU19 and MU92 which were identified as Pseudomonas were capable of degradation for 4 kinds of chlorinated aromatic hydrocarbons, 2,4-D, 2,4,5-T, MCPA and 3CB. Acinetobacter sp. MU38 showed the highest degradability in liquid minimal media at 48 hours after inoculation, and Pseudomonas spp. MU19. MU57, MU73, and MU92 were able to degrade carbon source at higher rates. As the results Acinetobacter sp. MU38 and Pseudomonas spp. MU19 and MU92 were capable of biodegradation for broad range of halogenated aromatic hydrocarbons, and had higher rates of degradation for 2,4,5-T.

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The Concentrations of PCBs in the Serum and Theri Predictors of Exposure n Korean Women (일부 한국 성인 여성들의 혈중 PCBs 농도 및 그 노출요인의 연구)

  • 민선영;정문호;이강숙;노영만;구정환
    • Journal of Environmental Health Sciences
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    • v.26 no.2
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    • pp.97-107
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    • 2000
  • PCBs [Polychlorinated biphenyls] are halogenated aromatic compounds with the empirical formula C12H10-nCln(n=1~10), and are a mixture of possible 209 different chlorinated congeners. PCBs were widely used as dielectric fluids for capacitors, transformers, plasticizers, lubricant inks, and paint additives. once released into the environment, PCBs persist for years because they are so resistant to degradation. In addition to their high degree of lipophilicity. In 1970s, the worldwide production of PCBs seem to be still in use. The environmental load of PCBs was prohibited since 1983 in Korea. In spite of these actions, many PCBs seem to be still in use. The environmental load of PCBs will continue to be recycled through air, land, water, and the biosphere for decades to come. This study was conducted to measure the concentrations of PCBs I the serum samples of 112 women by GC/MSD(Hewlett Packard 5897 Gas Chromatography-Mass Chromatography Detector) and CG/ECD(Hewlett Packard 5890 series-II gas chromatography-Electron capture detector, U.S.A). The main results of this study were as follows; The mean and standard deviation of serum PCBs were 3.613, 0.759 ppb, respectively and median of it was 3.828 ppb. The correlation coefficients of the concentrations of 13 PCB congeners ranged from 0.7913 to 0..9985 and were significantly correlated between each items(p=0.0001). The PCB concentrations were positively associated with age(simple linear regression; R2=0.86, =0.08023, p<0.001) and with total lipids in serums(simple linear regression; R=0.7058, =0.00486, p<0.001). The age adjusted model (Y=$\beta$0+$\beta$1age+$\beta$2X) was applied for possible predictors of PCBs levels in serum. For BMI(Body Mass Index), major residential area, and fish, meat, and dairy consumption, there was no association with PCBs levels, Also there was negative association for the number of pregnancy and lactation period with PCBs levels.

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Health Risk Assessment with Source Apportionment of Ambient Volatile Organic Compounds in Seoul by Positive Matrix Factorization (수용체 모델(PMF)를 이용한 서울시 대기 중 VOCs의 배출원에 따른 위해성평가)

  • Kwon, Seung-Mi;Choi, Yu-Ri;Park, Myoung-Kyu;Lee, Ho-Joon;Kim, Gwang-Rae;Yoo, Seung-Sung;Cho, Seog-Ju;Shin, Jin-Ho;Shin, Yong-Seung;Lee, Cheolmin
    • Journal of Environmental Health Sciences
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    • v.47 no.5
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    • pp.384-397
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    • 2021
  • Background: With volatile organic compounds (VOCs) containing aromatic and halogenated hydrocarbons such as benzene, toluene, and xylene that can adversely affect the respiratory and cardiovascular systems when a certain concentration is reached, it is important to accurately evaluate the source and the corresponding health risk effects. Objectives: The purpose of this study is to provide scientific evidence for the city of Seoul's VOC reduction measures by confirming the risk of each VOC emission source. Methods: In 2020, 56 VOCs were measured and analyzed at one-hour intervals using an online flame ionization detector system (GC-FID) at two measuring stations in Seoul (Gangseo: GS, Bukhansan: BHS). The dominant emission source was identified using the Positive Matrix Factorization (PMF) model, and health risk assessment was performed on the main components of VOCs related to the emission source. Results: Gasoline vapor and vehicle combustion gas are the main sources of emissions in GS, a residential area in the city center, and the main sources are solvent usage and aged VOCs in BHS, a greenbelt area. The risk index ranged from 0.01 to 0.02, which is lower than the standard of 1 for both GS and BHS, and was an acceptable level of 5.71×10-7 to 2.58×10-6 for carcinogenic risk. Conclusions: In order to reduce the level of carcinogenic risk to an acceptable safe level, it is necessary to improve and reduce the emission sources of vehicle combustion and solvent usage, and eco-car policies are judged to contribute to the reduction of combustion gas as well as providing a response to climate change.

Evaluation of Adsorbent Sampling Methods for Volatile Organic Compounds in Indoor and Outdoor Air (실내·외 공기 중 휘발성 유기화합물에 대한 흡착 시료채취 방법의 평가)

  • Baek, Sung-Ok;Moon, Young-Hun
    • Analytical Science and Technology
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    • v.17 no.6
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    • pp.496-513
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    • 2004
  • This study was carried out to evaluate the performance of sampling and analytical methodology used for the measurement of toxic volatile organic compounds (VOCs) in the ambient air. VOCs were determined by the adsorbent tube sampling and automatic thermal desorption coupled with GC/MSD analysis. Target analytes were 33 compounds including major aromatic compounds such as BTEX, and halogenated compounds. The methodology was investigated with a wide range of different adsorbents which are commercially available and have been frequently adopted for the VOC measurement. A total of 10 adsorbents were tested in this study: 6 carbon-based adsorbents such as Carbotrap, Carbopack B, Carbosieve S-III, Carboxen 1000, Carbotrap C, Activated Charcoal; and 4 polymer-based adsorbents including Tenax, Porapak Q, Chromosorb 102, and Chromosorb 106. The sampling performance was evaluated with respect to the sampling capacity of VOCs with single-adsorbent and multiple-adsorbents methods for standard samples and field samples. As a result, the best adsorbents for single-adsorbent method in the sampling of toxic organic compounds (including benzene, toluene, xylenes etc.) appeared to be Carbotrap, Carbopack B and Tenax TA. On the other hand, Chromosorb 102, Chromosorb 106 and Porapak Q were found to be unsuitable adsorbents for VOC measurement based on thermal desorption method. Multi-adsorbent packings were evaluated with 4 carbon-based adsorbents, which classified by 3 combination sets of double adsorbents and 2 combination sets of triple adsorbents. The results indicated that the most suitable combination for toixc VOC measurements is Carbotrap C with Carbotrap. Multi-sorbents tubes packed with a strong adsorbent such as Carbosieve S-III or Carboxen 1000 were found to be relatively unsuitable for several compounds, not only owing to the effect of migration of adsorbed compounds from weaker adsorbent to stronger adsorbent, but to hydrophobic nature of the adsorbents. Therefore, it should be addressed that selection of a proper adsorbent (or combination of multi sorbents) is extremely important to obtain reliable data for the concentrations of toxic VOCs in indoor and outdoor environments.

The Concentrations of Endocrine Disrupter (PCBs and DDE) in the Serumand Their Predictors of Exposure in Korean Women (일부 한국 성인 여성들의 혈중 내분비계 장애물질 농도 및 그 노출요인의 연구)

  • 민선영;정문호
    • Journal of Environmental Health Sciences
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    • v.27 no.2
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    • pp.127-137
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    • 2001
  • Polychlorinated biphenyls(PCBs) are halogenated aromatic compounds with the empirical formula $C_{12}$ $H_{10-n}$C $l_{n}$(n=1~10), and are a mixture of possible 209 different chlorinated congeners. PCBs were widely used as dielectric fluids for capacitors and transformers, plasticizers, lubricant inks and paint addirives. Once released into the environment, PCBs persist for years because they are so resistant to degradation. In addition to their persistence in the environment, PCBs in ecological food chains undergo biomagnification because of their high degree of lipophilicity. In 1970s, the worldwide production of PCBs was ceased and the import of PCBs was prohibited since 1983 in Korea. In spite of these actions, many PCBs seems to be still in use. The environmental load of PCBs will continue to be recycled through air, land, water, and the biosphere for decades to come. This study was conducted to measure the concentrations of PCBs in the serum samples of 112 women by GC/MSD and GC/ECD. The main results of this study were as follows. 1. PCBs were detected in all samples. The mean $\pm$SD levels of PCBs in the serum were 3.613$\pm$0.759 ppb, and median were 3.828 ppb. 2. The correlation coefficients of the concentrations of 13 PCB congeners were from minimum, 0.7913 to maximum, 0.9985, and all was significant(p=0.0001). The correlation coefficient between the concentrations of PCBs and p,p'-DDE was 0.9641(p=0.0001). 3. There was a positive association between age and PCBs' concentrations (simple linear regression ; $R^2$=0.86, $\beta$=0.08023, p<0.001). 4. There was a positive association between total lipids in the serum and PCBs' concentrations (simple linear regression ; $R^2$=0.7058, $\beta$=0.00486, p<0.001). 5. For possible predictors of PCBs and p,p' -DDE levels in the serum, age adjusted model (Y=$\beta$$_{0}$+$\beta$$_1$age+ $B_2$X) was applied. For BMI, major residential area, wether to eat caught fish by angling, where to eat caught fish by angling(by parents in the past), fish consumption, meat consumption, meat consumption, and dairy consumption, there was no association. For total conception frequency and lactation frequency and lactation period, there was negative association.ion.

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