• Title/Summary/Keyword: Partition coefficients

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A Comparative Study on the Pharmaceutical Properties of Rectal Suppository containing Omeprazole Complexes (오메프라졸복합체 함유 직장좌제의 특성비교)

  • Hwang, Sung-Joo;Park, Sung-Bae;Rhee, Gye-Ju
    • Journal of Pharmaceutical Investigation
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    • v.25 no.3
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    • pp.227-237
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    • 1995
  • Omeprazole(OMP) complexes such as inclusion complexes of OMP with $hydroxypropyl-{\beta}-cyclodextrin$(HPCD) and ${\beta}-cyclodextrin({\beta}-CD)$, OMP-cholestyramine(CHL) and OMP-ethylenediamine(OMP-ED) were prepared, respectively. The partition coefficients in Witepsol H-15 /pH 7.4 phosphate buffer solution of OMP complexes$(OMP-HPCD;\;3.69{\pm}0.26,\;OMP-{\beta}-CD;\;4.08{\pm}0.21,\;OMP-CHL;\;4.36{\pm}0.25\;and\;omeprazole\;sodium(OMP-Na);\;3.64{\pm}0.37)$ were higher than that of OMP $(2.66{\pm}0.47)$. OMP was not completely dissolved until even 3 hrs, but all the OMP complexes studied were released about 100% in 20 min. The rectal suppositories containing OMP or each above OMP complex were prepared using Witepsol H-15 base, and their dissolution and stability were examined, and pharmacokinetic study were investigated after their rectal administrations to the rabbits. While the suppository containing OMP was released only less than 60% in 150 min, $OMP-{\beta}-CD$, OMP-CHL, OMP-Na and OMP-ED suppositories were all released about 65% in 20 min. Especially, OMP-HPCD suppository released OMP about 70% in 10 min. All the additives such as sodium laurylsulfate, eglumine, arginine and PVP increased drug release from OMP-HPCD suppository to some extent. The decomposition rate constants of OMP in the suppositories were $9.117{\times}10^{-3}\;day^{-l}$ for OMP suppository, $2.121{\times}10^{-2}$ for OMP-HPCD, $1.607{\times}10^{-2}$ for $OMP-{\beta}-CD$, $9.26{\times}10^{-3}$ for OMP-Na, $6.769{\times}10^{-3}$ for OMP-CHL and $5.58{\times}10^{-3}\;day^{-l}$ for OMP-ED suppository, respectively. Additives such as arginine, eglumine and ED had some stabilizing effect for OMP-HPCD, OMP-CHL and OMP-Na suppositories, respectively. After 6 month-storage at $30^{\circ}C$, 75% RH, OMP-CHL suppository was most stable. The values of Tmax for OMP-HPCD and OMP-Na suppositories were $11.7{\pm}2.36\;and\;11.4{\pm}2.56\;min$, respectively. The values of Cmax for OMP-HPCD and OMP-CHL suppository were $2.31\;{\mu}g/ml\;(p<0.01)\;and\;1.89\;{\mu}g/ml\;p<0.01)$, respectively. The values of AUC for OMP and $OMP-{\beta}-CD$ suppository were $61.9{\pm}25.79\;and\;68.6{\pm}29.48\;{\mu}g\;{\cdot}\;min/ml$, and the corresponding values for OMP-HPCD and OMP-CHL were $106.1{\pm}43.16\;(p<0.05)\;and\;127.3{\pm}42.52\;{\mu}g\;{\cdot}\;min/ml(p<0.01)$, respectively. The above results indicate the OMP-HPCD and OMP-CHL suppositories have the excellent bioavailabilties in vivo study.

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Analytical Methods of Fenpyroximate in Herbal Medicines (생약 중 Fenpyroximate의 분석법 연구)

  • Lee, Ju-Hee;Lee, Yoon-Jeong;Kang, In-Ho;Kim, Do-Hoon;Kang, Shin-Jeong;An, Kyung-A;Lee, Ryun-Kyung;Suh, Sang-Chul;Lee, Jeong-Rim
    • The Korean Journal of Pesticide Science
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    • v.18 no.3
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    • pp.141-147
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    • 2014
  • Fenpyroximate is acaricide of pyrazole group. This acaricide have already been permitted for herb cultivation. This experiment was conducted to establish a determination method for fenpyroximate residue in herbal medicines using HPLC-PDA and HPLC-MS/MS. Fenpyroximate residue was extracted with acetone from samples of herbal which Liquorice Root (Glycyrrhiza uralensis) and Safflower Seed (Carthamus tinctorius Linne). The extract was diluted with saturated saline water and dichloromethane liquid-liquid partition (extraction) was followed to recover fenpyroximate from the aqueous phase. Amino propyl ($NH_2$) and florisil column chromatography was additionally employed for final clean up of the extract. The fenpyroximate was quantitated by HPLC-PDA and HPLC-MS/MS. The herbals were fortified with fenpyroximate at 2 or 3 levels per crop. Mean recovery ratio were ranged from 72.0 to 106.4%. The coefficients of variation were ranged from 0.2 to 4.4. Therefore, this analytical method was reproducible and sensitive enough to determine the residue of fenpyroximate in herbal medicines.

A Strategy for the Risk Assessment of Abandoned Mine Filler Materials (비산재가 포함된 폐광산 채움재의 위해성 평가 전략)

  • Ji, Sangwoo;Jo, Hwanju;Shin, Hee-young;Lee, Sang-hun;Ahn, Ji-Whan
    • Resources Recycling
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    • v.28 no.4
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    • pp.59-64
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    • 2019
  • This study suggests a conceptual strategy and methodology for the risk assessment of the domestic abandoned mine fillers with fly ash. The fillers are composed of coal fly ash and solidification materials, and contain little toxic substances such as carbonates but also some heavy metals; therefore, those requires a risk assessment. The risk assessment should primarily focus on estimation of the effects to human health both on carcinogen and non-carcinogen aspects. The significant data such as toxicity and partition coefficients can be obtained from the national soil or mine environmental risk assessment guidelines. Accurate risk assessment of heavy metal contamination in the fillers may consume lots of time and efforts through site survey and instrumental analyses, etc. Moreover, it is inefficient to explore all of the factors as concentrations and categories in every heavy metal in the fillers, due to a high variety and complexity. Therefore, implementation of a preliminary risk assessment is suggested by using the literature data and the basic characteristics of the filler samples prior to the detailed risk assessment. Certainly, this presumes a thorough understanding of reliable sample analysis methods, exposure pathways, and relevant physicochemical and biological mechanisms.

Development of Individual Residue Analysis Method for Cyanazine in Agricultural Commodities as an Unregistered Herbicide in Korea (국내 미등록 제초제 cyanazine의 농산물 중 개별 잔류분석법 개발)

  • Choung, Myoung-Gun;Im, Moo-Hyeog
    • Journal of the Korean Society of International Agriculture
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    • v.30 no.4
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    • pp.339-346
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    • 2018
  • Cyanazine is a member of the triazine family of herbicides. Cyanazine is used as a pre- and post-emergence herbicide for the control of annual grasses and broadleaf weeds. This experiment was conducted to establish a determination method for cyanazine, as domestic unregistered pesticide, residue in major agricultural commodities using HPLC-DAD/MS. Cyanazine was extracted with acetone from representative samples of five raw products which comprised apple, green pepper, Kimchi cabbage, hulled rice and soybean. The extract was diluted with saline water and partitioned to dichloromethane for remove polar extractive in the aqueous phase. For the hulled rice and soybean samples, n-hexane/acetonitrile partition was additionally employed to remove non-polar lipids. The extract was finally purified by optimized florisil column chromatography. On a $C_{18}$ column in HPLC, cyanazine was successfully separated from co-extractives of sample, and sensitively quantitated by diode array detection at 220 nm. Accuracy and precision of the proposed method was validated by the recovery experiment on every major agricultural commodity samples fortified with cyanazine at 3 concentration levels per agricultural commodity in each triplication. Mean recoveries were ranged from 83.6 to 93.3% in five major representative agricultural commodities. The coefficients of variation were all less than 10%, irrespective of sample types and fortification levels. Limit of quantitation(LOQ) of cyanazine was 0.02 mg/kg as verified by the recovery experiment. A confirmatory method using LC/MS with selected-ion monitoring(SIM) technique was also provided to clearly identify the suspected residue.

Global Fate of Persistent Organic Pollutants: Multimedia Environmental Modelling and Model Improvement (잔류성 유기오염물질의 전 지구적 거동: 다매체 환경모델의 결과해석 및 개선방안)

  • Choi, Sung-Deuk;Chang, Yoon-Seok
    • The Sea:JOURNAL OF THE KOREAN SOCIETY OF OCEANOGRAPHY
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    • v.12 no.1
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    • pp.24-31
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    • 2007
  • Global fates of polychlorinated biphenyl(PCB) were investigated with a fugacity based multimedia transport and fate model, Globe-POP(persistent organic pollutant). The accumulation of PCB was directly affected by the emission patterns of PCB into the atmosphere and surface areas of environmental compartments. Partition coefficients and reaction rates also influenced on the accumulation patterns of PCB. The emission patterns of PCB in 10 climate zones were consistent for the past 70 years, while the contribution of PCB in high-latitude zones to the globe has increased by cold condensation. Considering the amounts of emission and accumulation of PCB, the North temperature zone is regarded as an important source and sink of PCB. Meanwhile, in spite of no significant sources, POPs accumulate in Antarctic environments mainly due to extremely low temperature. Finally we suggested that a global water balance accounting for snow/ice should be incorporated into multimedia environmental models for high-latitude zones and polar regions with the seasonal snow pack and/or permanent ice caps. The modified model will be useful to evaluate the influence of climate change on the fate of POPs.

Determination of Fomesafen Residue in Agricultural Commodities Using HPLC-UVD/MS (HPLC-UVD/MS를 이용한 농산물 중 fomesafen의 분석)

  • Lee, Su-Jin;Hwang, Young-Sun;Kim, Young-Hak;Nam, Mi-Young;Hong, Seung-Beom;Yun, Won-Kap;Kwon, Chan-Hyeok;Do, Jung-A;Im, Moo-Hyeog;Lee, Young-Deuk;Choung, Myoung-Gun
    • The Korean Journal of Pesticide Science
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    • v.14 no.2
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    • pp.95-103
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    • 2010
  • Fomesafen is a selective herbicide, and used to control annual and perennial broad-leaf grass on soybean and fruit fields in USA and China, but not introduced in Korea yet. So, MRL (Maximum Residue Level), and analytical method of fomesafen were not establishment in Korea. Therefore, this experiment was conducted to establish a determination method for fomesafen residue in crops using HPLC-UVD/MS. Fomesafen residue was extracted with acetone from representative samples of five raw products which comprised hulled rice, soybean, apple, green pepper, and Chinese cabbage. The extract was diluted with saline water, and dichloromethane partition was followed to recover fomesafen from the aqueous phase. Florisil column chromatography was additionally employed for final clean up of the extract. The fomesafen was quantitated by HPLC with UVD, using a Shiseido CAPCELL-PAK UG C18 column. The crops were fortified with fomesafen at 3 levels per crop. Mean recovery ratio were ranged from 87.5% for a 0.4 ppm in hulled rice to 102.5% for a 0.4 ppm in apple. The coefficients of variation were ranged from 0.6% for a 2.0 ppm in hulled rice to 7.7% for a 0.04 ppm in green pepper. Quantitative limit of fomesafen was 0.04 mg/kg in representative 5 crop samples. A LC/MS with selected-ion monitoring was also provided to confirm the suspected residue. Therefore, this analytical method was reproducible and sensitive enough to determine the residue of fomesafen in agricultural commodities.

Development of QSAR Model Based on the Key Molecular Descriptors Selection and Computational Toxicology for Prediction of Toxicity of PCBs (PCBs 독성 예측을 위한 주요 분자표현자 선택 기법 및 계산독성학 기반 QSAR 모델 개발)

  • Kim, Dongwoo;Lee, Seungchel;Kim, Minjeong;Lee, Eunji;Yoo, ChangKyoo
    • Korean Chemical Engineering Research
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    • v.54 no.5
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    • pp.621-629
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    • 2016
  • Recently, the researches on quantitative structure activity relationship (QSAR) for describing toxicities or activities of chemicals based on chemical structural characteristics have been widely carried out in order to estimate the toxicity of chemicals in multiuse facilities. Because the toxicity of chemicals are explained by various kinds of molecular descriptors, an important step for QSAR model development is how to select significant molecular descriptors. This research proposes a statistical selection of significant molecular descriptors and a new QSAR model based on partial least square (PLS). The proposed QSAR model is applied to estimate the logarithm of partition coefficients (log P) of 130 polychlorinated biphenyls (PCBs) and lethal concentration ($LC_{50}$) of 14 PCBs, where the prediction accuracies of the proposed QSAR model are compared to a conventional QSAR model provided by OECD QSAR toolbox. For the selection of significant molecular descriptors that have high correlation with molecular descriptors and activity information of the chemicals of interest, correlation coefficient (r) and variable importance of projection (VIP) are applied and then PLS model of the selected molecular descriptors and activity information is used to predict toxicities and activity information of chemicals. In the prediction results of coefficient of regression ($R^2$) and prediction residual error sum of square (PRESS), the proposed QSAR model showed improved prediction performances of log P and $LC_{50}$ by 26% and 91% than the conventional QSAR model, respectively. The proposed QSAR method based on computational toxicology can improve the prediction performance of the toxicities and the activity information of chemicals, which can contribute to the health and environmental risk assessment of toxic chemicals.

Simultaneous Pesticide Analysis Method for Bifenox, Ethalfluralin, Metolachlor, Oxyfluorfen, Pretilachlor, Thenylchlor and Trifluralin Residues in Agricultural Commodities Using GC-ECD/MS (GC-ECD/MS를 이용한 농산물 중 Bifenox, Ethalfluralin, Metolachlor, Oxyfluorfen, Pretilachlor, Thenylchlor 및 Trifluralin의 동시 분석)

  • Ahn, Kyung Geun;Kim, Gi Ppeum;Hwang, Young Sun;Kang, In Kyu;Lee, Young Deuk;Choung, Myoung Gun
    • Korean Journal of Environmental Agriculture
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    • v.37 no.2
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    • pp.104-116
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    • 2018
  • BACKGROUND: This experiment was conducted to establish a simultaneous analysis method for 7 kinds of herbicides in 3 different classes having similar physicochemical property as diphenyl ether(bifenox and oxyfluorfen), dinitroaniline (ethalfluralin and trifluralin), and chloroacetamide (metolachlor, pretilachlor, and thenylchlor) in crops using GC-ECD/MS. METHODS AND RESULTS: All the 7 pesticide residues were extracted with acetone from representative samples of five raw products which comprised apple, green pepper, Kimchi cabbage, hulled rice and soybean. The extract was diluted with saline water and directly partitioned into n-hexane/dichloromethane(80/20, v/v) to remove polar co-extractives in the aqueous phase. For the hulled rice and soybean samples, n-hexane/acetonitrile partition was additionally employed to remove non-polar lipids. The extract was finally purified by optimized Florisil column chromatography. The analytes were separated and quantitated by GLC with ECD using a DB-1 capillary column. Accuracy and precision of the proposed method was validated by the recovery experiment on every crop samples fortified with bifenox, ethalfluralin, metolachlor, oxyfluorfen, pretilachlor, thenylchlor, and trifluralin at 3 concentration levels per crop in each triplication. CONCLUSION: Mean recoveries of the 7 pesticide residues ranged from 75.7 to 114.8% in five representative agricultural commodities. The coefficients of variation were all less than 10%, irrespective of sample types and fortification levels. Limit of quantitation (LOQ) of the analytes were 0.004 (etahlfluralin and trifluralin), 0.008 (metolachlor and pretilachlor), 0.006 (thenylchlor), 0.002 (oxyfluorfen), and 0.02 (bifenox) mg/kg as verified by the recovery experiment. A confirmatory technique using GC/MS with selected-ion monitoring was also provided to clearly identify the suspected residues. Therefore, this analytical method was reproducible and sensitive enough to determine the residues of bifenox, ethalfluralin, metolachlor, oxyfluorfen, pretilachlor, thenylchlor, and trifluralin in agricultural commodities.

Modification of Vermiculite for Use as a Floating Adsorbent for Copper Removal (수중의 구리 제거를 위한 질석흡착제의 표면개질 연구)

  • Lee, Sangmin;Lee, Taeyoon
    • Journal of the Korean GEO-environmental Society
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    • v.17 no.11
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    • pp.5-14
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    • 2016
  • The main objective of this study was to evaluate the removal properties of Cu from existing exfoliated vermiculite (EV) coated with a mixed solution of sulfuric acid and glycerol on the $580^{\circ}C$ in heating, which uses coated with glycerol of copper ions can be removed more effectively. Serial batch kinetic tests and batch sorption tests were conducted to determine the removal characteristics for Cu in aqueous solution. The result of batch kinetic test shows that removal rate, $K_{obs}$ (1/hr), of Cu are 0.579, 0.878, 3.459, and 6.578 for MEV weight 1 g (25 g/L), 2 g (50 g/L), 3 g (75 g/L), 4 g (100 g/L), respectively. In this case the initial pH of the solution was 3.26. The removal experiment according to the concentration, $K_{obs}$ (1/hr), of Cu are 1.96, 0.878, 1.25, and 1.04 for the initial concentration of 3 mg/L, 5 mg/L, 8 mg/L, 10 mg/L, and the initial pH of the solution are 3.46, 3.26, 3.10, 2.96, respectively. Influence of initial pHs on Cu removal were tested under 1g of MEV with 5 mg/L of Cu solution. $K_{obs}$ (1/hr) were increased from 0.263 (pH 3) to 0.525 (pH 5). It leads to the conclusion that the removal rates are inversely proportional to the initial Cu concentration and are increased proportional to the initial pHs. Sorption capacity of MEV was determined by batch sorption tests. The maximum sorption capacity ($Q_{max}$) obtained from Langmuir was 0.761 mg/g, Linear and Freundlich partition coefficients were 0.494 L/g and 0.729 L/g (1/n = 0.476). These results show that the MEV could be used as an excellent adsorbent for copper contained in various types of aqueous solutions.

Meta-Analytic Approach to the Effects of Food Processing Treatment on Pesticide Residues in Agricultural Products (식품가공처리가 농산물 잔류농약에 미치는 영향에 대한 메타분석)

  • Kim, Nam Hoon;Park, Kyung Ai;Jung, So Young;Jo, Sung Ae;Kim, Yun Hee;Park, Hae Won;Lee, Jeong Mi;Lee, Sang Mi;Yu, In Sil;Jung, Kweon
    • The Korean Journal of Pesticide Science
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    • v.20 no.1
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    • pp.14-22
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    • 2016
  • A trial of combining and quantifying the effects of food processing on various pesticides was carried out using a meta-analysis. In this study, weighted mean response ratios and confidence intervals about the reduction of pesticide residue levels in fruits and vegetables treated with various food processing techniques were calculated using a statistical tool of meta-analysis. The weighted mean response ratios for tap water washing, peeling, blanching (boiling) and oven drying were 0.52, 0.14, 0.34 and 0.46, respectively. Among the food processing methods, peeling showed the greatest effect on the reduction of pesticide residues. Pearsons's correlation coefficient (r=0.624) between weighted mean response ratios and octanolwater partition coefficients ($logP_{ow}$) for twelve pesticides processed with tap water washing was confirmed as having a positive correlation in the range of significance level of 0.05 (p=0.03). This means that a pesticide having the higher value of $logP_{ow}$ was observed as showing a higher weighted mean response ratio. These results could be used effectively as a reference data for processing factor in risk assessment and as an information for consumers on how to reduce pesticide residues in agricultural products.