• Title/Summary/Keyword: Organophosphorous

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3D-QSAR Study of Competitive Inhibitor for Acethylcholine Esterase (AChE) Nerve Agent Toxicity

  • San Juan, Amor A.;Cho, Seung-Joo
    • Molecular & Cellular Toxicology
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    • v.2 no.3
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    • pp.216-221
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    • 2006
  • The cholinesterase-inhibiting organophosphorous (OP) compounds known as nerve agents are highly toxic. The principal toxic mechanism of OP compounds is the inhibition of acethylcholine esterase (AChE) by phosphorylation of its catalytic site. The reversible competitive inhibition of AChE may prevent the subsequent OP intoxication. In this study, three-dimensional quantitative structure-activity relationship (3D-QSAR) was performed to investigate the relationship between the 29 compounds with structural diversity and their bioactivities against AChE. In particular, predictive models were constructed using the comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). The results indicate reasonable model for CoMFA ($q^{2}=0.453,\;r^{2}=0.697$) and CoMSIA ($q^{2}=0.518,\;r^{2}=0.696$). The presence of steric and hydophobic group at naphtyl moiety of the model may lead to the design of improved competitive inhibitors for organophosphorous intoxication.

Organophosphorous Pesticide Distribution in Seawater from Asan Bay, Korea in 2008 (2008년도 아산만 해수 중 유기인계 농약 분포)

  • Choi, Jin-Young;Yang, Dong-Beom;Lee, Sung-Gyu;Bang, Jae-Hyun;Hong, Gi-Hoon;Shin, Kyoung-Hoon
    • Ocean and Polar Research
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    • v.32 no.3
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    • pp.203-212
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    • 2010
  • Distribution of organophosphorous pesticides (OPs) was studied from February to September 2008 in the seawater of Asan Bay, Korea. Among the 29 types of OPs detected during the study period, IBP(S-benzyl O,O-diisopropyl phosphorothioate), ranging from <1 ng/l to 377 ng/l, was the most abundant. Other commonly observed OPs concentrations in the study area included diazinon (Diethyl 2-isopropyl-4-methyl-6-pyrimidinyl phosphorothionate; <1~307 ng/l), azinphos ethyl (3,4-Dihydro-4-oxo-3-benzotriazinylmethyl O,O-diethyl phosphorodithioate; <1~1997 ng/l), malathion (1,2-Di(ethoxycarbonyl)ethyl O,Odimethyl phosphordithioates; <1~3013 ng/l), demeton-O (Diethyl 2-(ethylthio)ethyl phosphorothionate; <1~2403 ng/l), and DDVP (2,2-dichlorovinyl dimethyl phosphate; <1~283 ng/l). Seasonal distribution of OPs in seawater is dependent on the OP application period. In August, OPs concentrations were generally decreased with the increased salinity of seawater, implying progressive dilution of pesticides in the estuarine system. OPs were deposited into Asan Bay from Asan and Sabkyo Lakes as well as surrounding tributaries. Ten OPs, including diazinon, were detected in the suspended particles of Asan Bay.

Assessment of Environmental Pollution for Streams of Andong City in Gyeongbuk Province Using Invertebrate Biomarker and Chemical Residual Analysis (무척추동물 생체지표와 화학잔류량 분석을 통한 경북 안동지역내 하천들의 환경오염 평가)

  • Ryoo Keon-Sang;Choi Jong-Ha;Kim Young-Gyun;Cho Sung-Hwan;Lee Hwa-Sung
    • Journal of Environmental Science International
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    • v.14 no.6
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    • pp.583-596
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    • 2005
  • Samples of water, soil, and sediment were taken from 10 streams of Andong city in Gyeongbuk province in October 2004. To assess the degree of environmental pollution for each stream site, the chemical analyses of pollutants such as T-N, T-P, COD, heavy metal, organophosphorous and organochlorine pesticides, and dioxin-like PCB congeners were implemented using the standard process tests or the U. S. EPA methods. In addition, biological assessment using insect immune biomarkers was conducted on the same environmental samples to complement the chemical assessment. Except Waya stream (T-N; 2.91 mg/L, T-P; 0.16 mg/L, COD; 14.0 mg/L) with above the environmental quality standards, the T-P and COD concentrations of 9 sites are relatively low. The contents of Pb and Cd in samples taken from each stream were much lower than environmental quality standards. However, in comparison with soil samples of other streams, several times higher concentrations of Pb and Cd were found in locations at Mi, Gilan, Yeonha, and Waya stream sites. Dementon-S-methyl, diazinon, parathion, and phenthoate compounds among organophosphorous pesticides were detected as concentrations of ppb levels, respectively, from soil samples collected in the vicinity of Gilan, Mi, Norim, and Waya stream. On the other hand, 16 organochlorine pesticides and 12 dioxin-like PCB congeners selected in this study were not found in all samples. In particular, considering significant disrupting effects of Waya stream's samples on insect immune capacity, this stream seems to be contaminated with investigated and/or univestigated pollutants in this study.

Distribution Characteristcs of Organophosphorous Pesticides in Asan Bay, Korea in Summer 2006 (2006년도 하계 아산만의 유기인계 농약의 분포 특성)

  • Choi, Jin-Young;Lee, Sung-Gyu;Yang, Dong-Beom;Hong, Gi-Hoon;Shin, Kyoung-Hoon
    • Journal of the Korean Society of Marine Environment & Safety
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    • v.15 no.1
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    • pp.1-9
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    • 2009
  • Distribution characteristics of organophosphorous pesticides (OPs) were studied over the period from May to September, 2006 in Asan Bay, Korea. During the study period, 28 kinds of organophosphorous pesticides dissolved in surface water and adsorbed on suspended particle were measured. In the surface water, the dominant OPs were IBP and DDVP, and the concentration were in the ranges from not detected to 2014.4 ng/L for IBP and 3.2 to 696.3 ng/L for DDVP. The highest concentrations of OPs in the surface waters in Asan Bay appeared in July and August showing that seasonal distributions of OPs depend on application time and precipitation. The concentrations of OPs generally decreased with the increase of distance from the mouth of Asan Bay, implying progressive dilution of pesticides in the estuarine system. OPs residue in Asan Bay was relatively higher than in other area of Korea. The concentrations of the observed OPs concentrations did not exceed the seawater quality standard of Korea. DDVP, IBP, Diazinon, Phorate, Azinphos ethyl and Chlorfenvinfos had higher adsorption capacity onto suspended particle than the other OPs. In the study area, adsorption coefficients $(K_d)$ of OPs were closely related to the Log $K_ow$ of each compound.

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Distribution characteristics of organophosphorous pesticides in Asan Bay, Korea (아산만 해역의 유기인계농약 분포특성)

  • Choi Jin-Young;Yang Dong-Beom;Ju Hyo-Jung;Kim Kyung-Tae;Hong Gi-Hoon;Shin Kyoung-Hoon
    • Journal of the Korean Society for Marine Environment & Energy
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    • v.9 no.3
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    • pp.176-186
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    • 2006
  • Distribution characteristics of organophosphorous pesticides(OPs) in water and suspended particles were studied in Asan Bay, Korea, from June 2004 to October 2005. 28 organophosphorous pesticides could be detected in Asan Bay during this study. The most commonly and abundantly measured OPs in the surface waters were IBP (max=$6,343.7ng\;l^{-1}$). DDVP, diazionon, ethoprophos and methidathion were also observed at relatively high concentrations. Their maximum concentrations exceeded $100ng\;l^{-1}$ in almost every month. Malathion, mevinphos, ph orate and chlorfenvinphos were also detected at relatively high concentrations. Many OPs more frequently appeared in summer than in winter due to the intensive application of pesticides in summer months. The concentration of OPs generally decreased with increasing distance from the mouth of Asan Bay. This result implies progressive dilution of these pesticides in the marine environment. Measured concentrations of diazinon were well below $20,000ng\;l^{-1}$ which is a limit set by the seawater quality standard of Korea. The concentrations of malathion and parathion in the surface waters of Asan Bay did not exceed the seawater quality standard of Korea($250,000\;and\;60,000ng\;l^{-1}$ respectively). OPs adsorbed on suspended particles were also studied. DDVP, phorate, stirofos, EPN, azinphos-methyl and IBP had higher adsorption capacity onto suspended particles than other pesticides. Calculated pesticide-particle adsorption coefficient($K_d-particle$) for samples collected in Asan Bay were closely related to the reported pesticides-soil adsorption coefficient ($K_d-soil$).

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Decomposition of Organophosphorous Compounds with Ultraviolet Energy(UV-C) (자외선에너지(UV-C)를 이용한 유기인계 화합물의 분해)

  • Kim, Jong-Hyang;Min, Byoung-Chul
    • Applied Chemistry for Engineering
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    • v.9 no.1
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    • pp.28-32
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    • 1998
  • Two organophosphorous insecticides, Dichlorovos and Chloropyrifos were degraded in the presence of UV irradiation, UV irradiation with $TiO_2$ powder and UV irradiation with sea sand using low pressure mercury lamp. The identification of these compounds was carried out by gas chromatograph with a nitrogen-phosphorous detector, Total Organic Carbon and Ion Chromatograph, respectively. Both dichlorvos and chloropyrifos, UV irradiation with sea sand were more degradable than UV irradiation and UV irradiation with $TiO_2$ powder. The final products were $Cl^-$ in Dichlorvos, $Cl^-$ $SO_4{^{2-}}$ in Chloropyrifos, respectively.

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Method Validation for the Simultaneous Analysis of Organophosphorous Pesticides in Blood by GC/MS (GC/MS를 이용한 혈액 중 유기인제류 농약의 동시 분석에 관한 방법의 유효화)

  • Park Mee Jung;Yang Ja Youl;Kim Ki Wook;Park Yoo Shin;Chung Hee Sun;Lee Sang Ki
    • Environmental Analysis Health and Toxicology
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    • v.20 no.4 s.51
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    • pp.297-302
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    • 2005
  • The purpose of this study was to provide the standard method for the analysis of organophosphorous pesticides such as chlorpyrifos, diazinon, malathion and parathion in blood. We performed method validation for these pesticides in blood according to EURACHEM (A focus For Analytical Chemistry in Europe) guide. For the analysis of the pesticides, we used solid-phase extraction ,column (Waters Oasis $HLB^{(R)}$. After the extraction, the supernatants were evaporated to dryness under the nitrogen stream. They were analyzed by gas chromatography/mass spectrometry (GC/MS) after reconstituting with ethanol. Terbufos was used as an internal standard. To validate this method, we performed verification procedures with the following parameters: selectivity, linearity of calibration, accuracy, precision, limit of detection and quantification. Validation data according to Eurachem guide were adequate for our purpose for the analysis of chlorpyrifos, diazinon, malathion and parathion in blood.

Simultaneous determination of carbaryl & organophosphorous pesticides in water by liquid chromatography-tandem mass spectrometry (LC/MS/MS를 이용한 수중의 카바릴·유기인계 농약 동시분석)

  • Park, Keun-Young;Shin, Jung-Chul;Pyo, Dongjin
    • Analytical Science and Technology
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    • v.31 no.1
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    • pp.39-46
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    • 2018
  • Carbaryl and seven organophosphorous pesticides were analyzed simultaneously using on-line solid phase extraction (on-line SPE) coupled with liquid chromatography tandem mass spectrometry (LC/MS/MS). The target pesticides are Carbaryl, Methyl demeton, Fenitrothion, Malathion, Parathion, Phenthoate, Diazinon, and EPN. This method includes the direct injection of $500{\mu}L$ in the water sample, a 15 min separation period using a rapid resolution liquid chromatography system with on-line SPE, and detection through electrospray ionization (ESI) positive mode. The percentage of recovery of all pesticides ranged from 85.3 % to 100 %. This method showed an accuracy of ${\geq}90.0%$, possessing limits of detection and quantification within 0.05 to $0.28{\mu}g/L$ and 0.16 to $0.89{\mu}g/L$, respectively. The correlation coefficients (r) for the calibration curves within a range of 0.5 to $8.0{\mu}g/L$ were higher than 0.99. The evaluation results showed the efficacy of the method for all contents, and no pesticides were detected in the water quality sample.

Reduction Mechansim of Organophosphorus Compounds (유기인제의 수소 환원)

  • Lee Myung Yun
    • Journal of the Korean Chemical Society
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    • v.13 no.2
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    • pp.141-147
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    • 1969
  • Organophosphorous compounds can be reduced by zinc metal in acidic solution after alkaline hydrolysis. Although phosphates and phosphonates did not evolve any gas, dithioates did evolve hydrogen sulfide and phosphine, thionates and thiolates did evolve only hydrogen sulfide. The evolved gases were qualitatively detected by means of lead acetate and silver nitrate or mercuric bromide papers and determined by spectrophotometrically. The reduction mechanism and analytical method of dithioates were proposed.

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