• Title/Summary/Keyword: OECD test guidelines

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Toxicity prediction of chemicals using OECD test guideline data with graph-based deep learning models (OECD TG데이터를 이용한 그래프 기반 딥러닝 모델 분자 특성 예측)

  • Daehwan Hwang;Changwon Lim
    • The Korean Journal of Applied Statistics
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    • v.37 no.3
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    • pp.355-380
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    • 2024
  • In this paper, we compare the performance of graph-based deep learning models using OECD test guideline (TG) data. OECD TG are a unique tool for assessing the potential effects of chemicals on health and environment. but many guidelines include animal testing. Animal testing is time-consuming and expensive, and has ethical issues, so methods to find or minimize alternatives are being studied. Deep learning is used in various fields using chemicals including toxicity prediciton, and research on graph-based models is particularly active. Our goal is to compare the performance of graph-based deep learning models on OECD TG data to find the best performance model on there. We collected the results of OECD TG from the website eChemportal.org operated by the OECD, and chemicals that were impossible or inappropriate to learn were removed through pre-processing. The toxicity prediction performance of five graph-based models was compared using the collected OECD TG data and MoleculeNet data, a benchmark dataset for predicting chemical properties.

A Comparative Study of Standard Methods for Assessing Ecotoxicity of Endocrine Disrupting Chemicals (내분비계장애물질의 생태독성평가를 위한 표준시험법 비교연구)

  • Kwak, Jin Il;Cui, Rongxue;Moon, Jongmin;Kim, Dokyung;An, Youn-Joo
    • Journal of Korean Society of Environmental Engineers
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    • v.39 no.3
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    • pp.132-139
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    • 2017
  • Endocrine disrupting chemicals (EDCs) interfere with endocrine system in organisms, and have different mode of actions compared to conventional chemicals. Therefore, EDCs specific ecotoxicity tests and assessments have been globally developed by some organizations such as OECD, ASTM, and USEPA. In Korea, researches on EDCs and monitoring of EDCs in domestic environments were also continued. However, Korean ecotoxicity test guidelines for EDCs are not suggested till date. The purpose of this study is to review and analyze international ecotoxicity test guidelines for EDCs and the compare ecotoxicity methods and toxicity endpoints among standard test guidelines. We found that there are very limited EDCs specific soil ecotoxicity test guidelines (only in ASTM) compared to aquatic ecotoxicity test guidelines. Currently, fish, amphibian, waterflea, copepoda, earthworm, white worm, springtail, nematode, mite, and midge are suggested as standard ecotoxicity test species for EDCs. Reproduction, hormones, growth, vitellogenin, sex retio and development were proposed as endpoints for EDCs ecotoxicity. This study provided the comparison of EDCs specific ecotoxicity methods and endpoints between standard test guidelines, and suggested the further research to develop the method for assesseing ecotoxicity of EDCs.

Physicochemical Properties of Bistrifluron, Benzoylphenylurea Insecticide (Benzoylphenylurea 계 살충제 Bistrfluron의 물리화학적 특성)

  • Kim, Kyun;Chang, Hee-Ra;Yang, Kyu-Wan;Jeong, Bong-Jin;Kim, Yong-Hwa
    • Korean Journal of Environmental Agriculture
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    • v.26 no.3
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    • pp.254-258
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    • 2007
  • Several physicochemical properties including water solubility, vapor pressure, and hydrolysis of bistrifluron benzoylphenylurea insecticide developed in Korea, were measured based on OECD guidelines for testing of chemicals and Toxic Substances Control Act Test guidelines. Water solubility was low showing 30 ${\mu}g/l$ at $25^{\circ}C$ and in hydrolysis study, half-life at $20^{\circ}C$ was 10.9 days (pH 9.0) and was stable in pH 7.0 solution. At $40^{\circ}C$ hydrolysis rate was 20.6 days (pH 7.0) and 1.5 days (pH 9.0). The vapor pressure of bistrifluron was not obtained from vapor pressure experiments at $25^{\circ}C$ because the bistrifluron was not detected. Therefore, the vapor pressure was determined to be ${\leq}\;2.05{\times}10^{-8}$ torr which was calculated to apply the detection limit (50 ng) of bistrifluron. And this value is suggests it would not give environmental contamination by volatilization.

Genotoxicity Test of Bojungikkeehapdaechilki-tang water extract (보중익기합대칠기탕(補中益氣合大七氣湯) 추출물의 유전독성 평가)

  • Hwang, Hui-Jeung;Byun, Joon-Seok;Heo, Jin-Il
    • Herbal Formula Science
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    • v.14 no.1
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    • pp.141-167
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    • 2006
  • The genotoxicity of water extract of Bojungikkeehapdaechilki-tang was tested by In Vitro Chromosome Aberration Test. Bacterial Reverse Mutation Assay and Micronucleus test according to OECD Guidelines and KFDA Guidelines. The obtained results were as follows : 1. Chromosome Aberration Test: In Vitro Chromosome Aberration Test of Bojungikkeehapdaechilki-tang extracts was carried out using cultured Chinese hamster lung cells in the presence and absence of metabolic activation system(S-9 mix). No significant changes in the number of aberrant metaphases having structural and number of aberrations were detected in Bojungikkeehapdaechilki-tang extracts treated groups. 2. Bacterial Reveres Mutation Assay: Bojungikkeehapdaechilki-tang extracts was evaluated for its potential to induce reverse mutation in the histidine auxotroph strains of Salmonella typhimurium such as TA100, TA1535, TA98 and TAl537 and the tryptophan auxotroph strain of Escherichia coli WP2 uvrA. No significant changes in the number of revertant colonies compared to its negative control were detected in Bojungikkeehapdaechilki-tang extracts treated groups against all 5 strains. 3. Micronucleus test: Micronucleus test of Bojungikkeehapdaechilki-tang extracts were performed using specific pathogen free 7-week old male ICR mouse. No significant changes in the number of micronucleated polychromatic erythrocytes among 2000 polychromatic erythrocytes compared to negative control were detected in all Bojungikkeehapdaechilki-tang extracts treated groups. In summarized above-mentioned results, it is concluded that Bojungikkeehapdaechilki-tang extracts have not genotoxicity against In Vitro Chromosome Aberration Test, Bacterial Reverse Mutation Assay and Micronucleus test.

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Aqueous Photolysis of the Organophosphorus Insecticide Carbofuran (살충제 Carbofuran의 수중광분해)

  • Kim, Kyun;Kim, Yong-Hwa
    • Korean Journal of Environmental Agriculture
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    • v.21 no.3
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    • pp.172-177
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    • 2002
  • Photodegadation rates of carbofuran in aqueous solution were measured under various test conditions mainly following the guidelines of U.S. EPA and OECD. Half-lives of carbofuran in distilled water were 9.7 days. 3.3 days, and 1 hr under natural sunlight, SUNTEST with UV filter, and SUNTEST without UV filter, respectively. Waters from a paddy field accelerated the decomposition by factor of 6. It was confirmed that the use of SUNTEST could shorten the test period of photodegradation.

In vivo Genotoxicity of Silver Nanoparticles after 90-day Silver Nanoparticle Inhalation Exposure

  • Kim, Jin-Sik;Sung, Jae-Hyuck;Ji, Jun-Ho;Song, Kyung-Seuk;Lee, Ji-Hyun;Kang, Chang-Soo;Yu, Il-Je
    • Safety and Health at Work
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    • v.2 no.1
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    • pp.34-38
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    • 2011
  • Objectives: The antimicrobial activity of silver nanoparticles has resulted in their widespread use in many consumer products. Yet, despite their many advantages, it is also important to determine whether silver nanoparticles may represent a hazard to the environment and human health. Methods: Thus, to evaluate the genotoxic potential of silver nanoparticles, in vivo genotoxicity testing (OECD 474, in vivo micronuclei test) was conducted after exposing male and female Sprague-Dawley rats to silver nanoparticles by inhalation for 90 days according to OECD test guideline 413 (Subchronic Inhalation Toxicity: 90 Day Study) with a good laboratory practice system. The rats were exposed to silver nanoparticles (18 nm diameter) at concentrations of $0.7\;{\times}\;10^6$ particles/$cm^3$ (low dose), $1.4\;{\times}\;10^6$ particles/$cm^3$ (middle dose), and $2.9\;{\times}\;10^6$ particles/$cm^3$ (high dose) for 6 hr/day in an inhalation chamber for 90 days. The rats were killed 24 hr after the last administration, then the femurs were removed and the bone marrow collected and evaluated for micronucleus induction. Results: There were no statistically significant differences in the micronucleated polychromatic erythrocytes or in the ratio of polychromatic erythrocytes among the total erythrocytes after silver nanoparticle exposure when compared with the control. Conclusion: The present results suggest that exposure to silver nanoparticles by inhalation for 90 days does not induce genetic toxicity in male and female rat bone marrow in vivo.

Comparison of International Guidelines of Dermal Absorption Tests Used in Pesticides Exposure Assessment for Operators

  • So, Jaehwan;Ahn, Junyoung;Lee, Tae-Hee;Park, Kyung-Hun;Paik, Min-Kyoung;Jeong, Mihye;Cho, Myung-Haing;Jeong, Sang-Hee
    • Toxicological Research
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    • v.30 no.4
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    • pp.251-260
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    • 2014
  • The number of farmers who have suffered from non-fatal acute pesticide poisoning has been reported to vary from 5.7% to 86.7% in South Korea since 1975. Absorption through the skin is the main route of exposure to pesticides for farmers who operate with them. Several in vitro tests using the skins of humans or animal and in vivo tests using laboratory animals are introduced for the assessment of human dermal absorption level of pesticides. The objective of this study is to evaluate and compare international guidelines and strategies of dermal absorption assessments and to propose unique approaches for applications into pesticide registration process in our situation. Until present in our situation, pesticide exposure level to operator is determined just using default value of 10 as for skin absorption ratio because of data shortage. Dermal absorption tests are requested to get exposure level of pesticides and to ultimately know the safety of pesticides for operators through the comparison with the value of AOEL. When the exposure level is higher than AOEL, the pesticide cannot be approved. We reviewed the skin absorption test guidelines recommended by OECD, EFSA and EPA. The EPA recommends assessment of skin absorption of pesticides for humans through the TPA which includes all the results of in vitro human and animal and animal in vivo skin absorption studies. OECD and EFSA, employ a tiered approach, which the requirement of further study depends on the results of the former stage study. OECD guidelines accept the analysis of pesticide level absorbed through skin without radioisotope when the recovery using the non-labeled method is within 80~120%. Various factors are reviewed in this study, including the origin of skin (gender, animal species and sites of skin), thickness, temperature and, etc., which can influence the integrity of results.

Erythrocyte Micronucleus Test of Pomace Schisandra chinensis Extracts Using ICR Mouse (ICR 마우스를 이용한 오미자박 추출물의 소핵 시험)

  • Seokho, Kim;Sun Youn, Kim;Young-Suk, Kim;Jong-Min, Lim;Bon-Hwa, Ku;Kyeong Tae, Kwak;Byeong Yeob, Jeon
    • Herbal Formula Science
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    • v.30 no.4
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    • pp.259-267
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    • 2022
  • Objectives : In this study, erythrocyte micronucleus test of pomace Schisandra chinensis extracts was conducted in order to up-cycling to a high value-added industry using by-products discarded in the production process of Schisandra chinensis products and active ingredients such as dibenzocyclooctadiene lignans in Schisandra chinensis. Methods : The micronucleus test was performed according to the 'OECD Guidelines'. Including the negative control group(0 mg/kg) and the positive control group(CPA 70 mg/kg), pomace Schisandra chinensis extracts were orally administered to ICR mouse at doses of 500, 1,000, and 2,000 mg/kg. After sacrificing the experimental animals bone marrow cells were collected and micronucleated polychromatic erythrocyte were counted. And genetic toxicity was confirmed according to the frequency of micronucleus. Results : As a result of the micronucleus test, there were no changes in body weight, clinical signs, or death in any group. But, a significant increase was observed in the frequency of micronucleated polychromatic erythrocyte among polychromatic erythrocytes in the positive control group administered with CPA compared to the negative control group(p<0.05). Whereas, no significant increase was observed in the group administered with pomace Schisandra chinensis extracts compared to the negative control group. Conclusions : Pomace Schisandra chinensis extracts did not induce micronucleus in bone marrow cells of ICR mouse up to a concentration of 2,000 mg/kg, and it was judged that no genetic toxicity was observed.

A study on Genotoxicity Test of Hyeong-gae-yeon-gyo-tang extract (형개연교탕(荊芥連翹湯) 추출물의 유전독성(遺傳毒性) 평가)

  • Jee, Seon-Young;Hwang, Sun-Yi;Lee, Jong-Rok;Kim, Sang-Chan
    • The Korea Journal of Herbology
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    • v.22 no.4
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    • pp.287-300
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    • 2007
  • Objectives : The genotoxicity of extract of "Hyeonggaeyeongyotang", a polyherbal formula has been used as a tonic agents in oriental medicine was tested. Methods : Extract of "Hyeonggaeyeongyotang" was tested by In Vitro Chromosome Aberration Test, Bacterial Reverse Mutation Assay and Micronucleus test according to OECD Guidelines and KFDA Guidelines [2005-60]. Results : The obtained results were as follows: 1. Chromosome Aberration Test: No significant changes in the number of aberrant metaphases having structural and number of aberrations were detected in all concentrations of "Hyeonggaeyeongyotang" extracts treated in this study. 2. Bacterial Reverse Mutation Assay: No significant increases in the number of revertant colonies compared to its negative control were detected in all concentrations of "Hyeonggaeyeongyotang" extracts treated in this study against all 5 strains except for $50{\mu}g/ml$ treated group where significantly decreases in colony numbers were detected agains all five strains used in this study as pharmacological effects not genotoxicity. 3. Micronucleus test: No significant changes in the number of micronucleated polychromatic erythrocytes among 2000 polychromatic erythrocytes compared to negative control were detected in all "Hyeonggaeyeongyotang" extracts-dosing groups tested. Conclusions : From above-mentioned results, it is concluded that "Hyeonggaeyeongyotang" extracts have not any genotoxicity against In Vitro Chromosome Aberration Test, Bacterial Reverse Mutation Assay and Micronucleus test.

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International Harmonisation of Pesticide Environmental Safety Assessments (농약(農藥) 환경(環境) 안전성(安全性) 평가(評價)의 국제적(國際的)인 조화(調和))

  • Riley, D.;Dyson, J.
    • Korean Journal of Weed Science
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    • v.17 no.1
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    • pp.73-79
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    • 1997
  • Governments and industry have a growing interest in the harmonization of environmental test methods and risk assessment procedures. OECD are currently producing a set of harmonised test guidelines for studying the environmental fate and ecological effects of pesticides. FAO has published an environmental risk assessment procedure. This procedure, which is similar to those used in US and Europe, is based on calculating the ratio of the toxicity of a pesticide to indicator organisms to their level of exposure to the pesticide. The exposure depends on both the concentration of the pesticide and its bioavailability. Ratios which indicate a pesticide will not produce a harmful effect have been established using ecological field studies. Examples are presented for assessing the risk to aquatic ecosystems, earthworms and honeybees. Long-term field studies(up to 20 years) have also shown that pesticides can be used indefinitely without harming soil fertility. Herbicides can be used to avoid the ecologically damaging effects of using soil cultivations excessively for weed control.

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