• 제목/요약/키워드: chemical substance estimation

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지식베이스를 이용한 작업자 증상 기반 화학물질 추정 시스템 설계 (Worker Symptom-based Chemical Substance Estimation System Design Using Knowledge Base)

  • 주용택;이동훈;신은지;유상우;신동일
    • 한국가스학회지
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    • 제25권3호
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    • pp.9-15
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    • 2021
  • 본 논문에서는 산업현장 화학물질 인체 접촉 증상 기반 지식베이스 구축 및 화학물질 추정 시스템 설계에 대한 연구이다. 미국NIH에서 제공하는 WISER 프로그램의 499개의 화학물질 접촉 증상 정보로 활용하였다. 지식베이스 구축을 위해 AllegroGraph 7.0.1 프로그램을 이용하였으며 입력된 Chemical structure로 Triple 값인 Cas No., Synonyms, Symptom, SMILES, InChl, Formula를 사용 하였다. 또한 작업자의 증상을 안내하는 방법은 AI 스피커를 활용한 방식이 가능하며 지식베이스 구축 결과 암모니아(CAS No: 7664-41-7)를 기준으로 39개의 증상이 WISER 프로그램과 동일함을 확인 하였다. 이를 통해 화학물질 추정 시스템의 증상 추출 과정에 지식베이스 구축이 가능하였다.

Value of a statistical life estimation of carcinogenic chemicals for socioeconomic analysis in Korea

  • Lee, Geonwoo;Lee, Yongjin;Lee, Hanseul;Hong, Jiyeon;Yang, Jiyeon
    • Environmental Analysis Health and Toxicology
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    • 제30권sup호
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    • pp.5.1-5.5
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    • 2015
  • Objectives To protect public health from risk, the Minister of Environment in Korea legislated an act concerning the registration and evaluation of chemical substances. In this study, we estimated the value of a statistical life (VSL) of carcinogenic chemicals to evaluate the socioeconomic analysis in Korea. Methods The estimation of the health benefit can be calculated through an individual's VSL and willingness to pay (WTP). To estimate the VSL and WTP, we used a contingent valuation method through a web-based survey. Results The survey is conducted with 1434 people living in Seoul and six large cities. An analysis of the survey is essential to review the distribution of the characteristics of the target population. The statistically significant variables affecting the WTP are location, age, household income, quality of life. Through the review of data, we secured statistical validity. The WTP was estimated as 41205 Korean won (KRW)/person, and the estimated VSL appeared as 796 million KRW/person. Conclusions There is a case in which the amount of statistical life value is estimated in connection with domestic environmental policy, fine dust, etc. However, there are no cases of evaluation for chemical. The utilization of this result is possible for conducting other study with chemicals.

Estimation of Physical-Chemical Property and Environmental Fate of Benzoyl peroxide Using (Q)SAR

  • Kim, Mi-Kyoung;Kim, Su-Hyon;Heekyung Bae;Sanghwan Song;Hyunju Koo;Jeon, Seong-Hwan;Na, Jin-Gyun;Park, Kwangsik;Lee, Moon-Soon
    • 한국환경독성학회:학술대회논문집
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    • 한국환경독성학회 2002년도 추계국제학술대회
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    • pp.154-154
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    • 2002
  • Benzoyl peroxide is a High Production Volume Chemical, which is produced about 1,375 tons/year in Korea as of 2001 survey. The substance is mainly used as initiators in polymerization, catalysts in the plastics industry, bleaching agents for flour and medication for acne vulgaris. The substance is one of seven chemicals of which human health and environmental risks are being assessed by National Institute of Environmental Research (NIER) under the frame of OECD SIDS Program. In this study, Quantitative Structure-Activity Relationships (QSAR) is used for getting adequate information on the physical-chemical property and the environmental fate of this chemical. For the assessment of benzoyl peroxide, models such as MPBPWIN for vapor pressure, KOWWIN for octanol/water partition coefficient, HENRYWIN for Henry's Law constant, AOPWIN for photolysis and BCFWN for bioconcentration factor (BCF) were used. These (Q)SAR model programmes were worked by using the SHILES (Simplified Molecular Input Line Entry System) notations. The physical-chemical properties and the environmental fate of benzoyl peroxide were estimated as followed : vapor pressure =0.00929 Pa, Log Kow = 3.43, Henry's Law constant = 0.00000354 atm-㎥/mole at 25 $^{\circ}C$, the half-life of photodegradation = 3 days, bioconcentration factor (BCF) = 92

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Estimation of Environmental Distribution for Benzoyl peroxide Using EQC Model

  • Kim, Mi-Kyoung;Bae, Heekyung;Kim, Su-Hyon;Song, Sanghwan;Koo, Hyunju;Kim, Hyun-Mi;Lee, Moon-Soon;Jeon, Seong-Hwan;Na, Jin-Gyun;Park, Kwangsik
    • 한국환경독성학회:학술대회논문집
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    • 한국환경독성학회 2003년도 춘계학술대회
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    • pp.150-151
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    • 2003
  • Benzoyl peroxide is a high production volume chemical, which was produced about 1,375 tons/year in Korea as of 2001 survey. Most of them are used as initiators in polymerization, catalysts in the plastics industry, bleaching agents for flour and medication for acne vulgaris. The substance is one of the sever chemicals of which human and environmental risks are being assessed by National Institute of Environmental Research under the frame of OECD SIDS Program. It has a melting point of 104-106 $^{\circ}C$ and has solubility of 9.1 mg/1 in water at 25 $^{\circ}C$. The substance was readily biodegradable (83 % after 21days) and had toxic effects to aquatic organisms. The range of 72 hr-EbC50 (biomass) for algae was 0.07-0.44 mg/1 and 48 hr-EC50 for daphnia was 0.07-2.91 mg/1. The LC50 of acute toxicity to fish was 0.24-2.0 mg/1. Although the toxic effects of benzoyl peroxide to aquatic organisms were investigated, environmental monitoring data were not studied. In this study, distribution of the chemical among multimedia environment was estimated using EQC model based on the physical-chemical properties to evaluate the risk of benzoyl peroxide in environment. In level I, II calculation the chemical was distributed to soil (68.3 %) and water (28.7 %). In level III calculation it was primarily distributed to soil (99.9 %) and overall residence time of 3.4 years was estimated. Benzoyl peroxide could be persistent in environment.

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피마자유와 양명아주 추출물을 원료로 하는 유기농업자재 유효성분의 열 안정성 평가 (Thermal Stability of Representative Bioactive Compounds in Biopesticide Derived from Castor Oil or Wormseed Extract under Controlled Temperature)

  • 최근형;정동규;진초롱;노진호;박병준;문병철;김진효
    • 한국환경농학회지
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    • 제36권1호
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    • pp.17-21
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    • 2017
  • BACKGROUND: Castor oil and wormseed extract are important active ingredients for biopesticide, and ricinoleic acid in castor oil and three monoterpenes (ascaridole, carvacrol and p-cymene) in wormseed extract are known bioactive substances. However, their stabilities had not been studied, even though the stability was the core property for estimation of shelf-life of biopesticide. Aimed to investigate the thermal stabilities of the bioactive substances in castor oil and wormseed extracts. METHODS AND RESULTS: The contents of ricinoleic acid and three monoterpenes (ascaridole, carvacrol and p-cymene) were analyzed by gas chromatography (GC). The thermal stabilities of the bioactive substance were measured at $0^{\circ}C$, $23^{\circ}C$, $30^{\circ}C$, $40^{\circ}C$, $45^{\circ}C$ and $54^{\circ}C$ for 84 d. The half-lives of ricinoleic acid in biopesticides was ranged from 28.9 d to 57.8 d at $30^{\circ}C$, and the stability of pure castor oil were located in the range ($t_{1/2}$=46.2d for Indian product and 27.7 d for Korean product) at the same temperature. The half-lives of the total monoterpenes in biopesticides were ranged from 3.9 d to 27.7 d at $30^{\circ}C$. Among the monoterpenes, the stability ascaridole and p-cymene were decreased in acidic condition. All the bioactive substances showed similar stability on the different thermal conditions. CONCLUSION:The half-lives of most bioactive substance from castor oil and wormseed extracts were less than 100 d. To increase the stability of bioactive substance in biopesticide, stabilizing additives like antioxidant and oxygen remover should be considered to extend of the shelf-life.

Estimation of Relative Potency with the Parallel-Line Model

  • Lee, Tae-Won
    • 응용통계연구
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    • 제25권4호
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    • pp.633-640
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    • 2012
  • Biological methods are described for the assay of certain substances and preparations whose potency cannot be adequately assured by chemical or physical analysis. The principle applied through these assays is of a comparison with a standard preparation to determine how much of the examined substance produces the same biological effects as a given quantity (the Unit) of the standard preparation. In these dilution assays, to estimate the relative potencies of the unknown preparations to the standard preparations, it is necessary to compare dose-response relationships of standard and unknown preparations. The dose-response relationship in the dilution assay is non-linear and sigmoid when a wide range of doses is applied. The parallel line model (applied to the dose region with the steepest slope) is used to estimate the relative potency. In this paper, the statistical theory in the parallel line model is explained with an application to a dilution assay data. The parallel line method is implemented in a SAS program and is available at the author's homepage(http://cafe.daum.net/go.analysis).

화학사고 대응을 위한 시간별 급성노출기준 참고치 산정 - 폼알데하이드 사례 - (Estimation of Temporal Acute Exposure Guideline Levels for Emergency Response - A Brief Case using Formaldehyde -)

  • 김은채;조용성;이청수;양원호;황승율;박지훈
    • 한국환경보건학회지
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    • 제47권2호
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    • pp.166-174
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    • 2021
  • Objectives: This study aimed to provide temporal Acute Exposure Guideline Levels (AEGL) for a hazardous substance as a pilot study. Methods: As one of the substances designated by the Korea Ministry of Environment as requiring preparations for potential accidents, formaldehyde was selected to estimate the AEGLs. The calculation was based on Haber's formula (Cn×t=k) using valid toxicity data (for humans/animals). A total of 96 points of AEGL levels were provided using an interval of five minutes over eight hours. Results: The AEGL-1 and 2 values were constant for the entire exposure duration at 0.9 ppm and 14 ppm, respectively. The values were obtained from clinical/animal tests, and the adaptation effect after a given exposure duration was also considered. AEGL-3 was based on animal toxicity data, and it was estimated from 127 ppm for the initial five minutes to 35 ppm for eight hours. Conclusions: More specific AEGL levels for formaldehyde could be obtained in this study using toxicity data with Haber's formula. Based on this methodology, it would be also possible to estimate AEGL levels that can be used at the scene of a chemical accident for other substances requiring preparation for potential accidents.

Ecotoxicity Estimation of Hazardous Air Pollutants Emitted from Semiconductor Manufacturing Processes Utilizing QSAR

  • Park, Hyung-Geun;Yeo, Min-Kyeong
    • Bulletin of the Korean Chemical Society
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    • 제34권12호
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    • pp.3755-3761
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    • 2013
  • This study aims to assess the ecological risk of the hazardous air pollutants (HAPs) emitted in the semiconductor manufacturing processes in Korea by using Quantitative Structure Activity Relationship (QSAR, EPA, US, EPI $Suite^{TM}$ 4.1). Owing to the absence of environmental standards of hazardous air pollutants in the semiconductor manufacturing processes in Korea, 18 HAPs in the semiconductor field included in both the US EPA NESHAPs and the hazardous air pollutant list of Ministry of Environment in Korea were selected. As a results 8 chemicals (44.4%) of the selected 18 HAPs were VOCs. Cyanides (cyanides) and ethylene oxides (epoxy resins), and tetrachloro-ethylene (aliphatic compounds, halides) showed long half-lives. Cyanide HAPs especially had the highest half-life with the estimated value of 356.533 days. Nickel compounds (heavy metal compounds) possessed the highest water solubility followed by acetaldehyde (aldehyde compounds), ethylene oxides, and 1,4-dioxanes. The halides, including tetrachloro-ethylenes, carbon tetra-chlorides, benzene (aromatic compounds), and lead (heavy metals), are estimated to take the longest time for biodegradation. Tetrachloroethylene, with the acute toxicity end point of 3.685-7.033 mg/L, was assessed to be the most highly toxic substance among the 18 HAPs. However, considering the absence of the HAPs in the common category of log $K_{ow}{\geq}4$and $BCF{\geq}500$, which indicates the standard of bioconcentration potentials, potentials of the bioconcentration are considered to be low.

CHARM을 이용한 작업환경측정기관 분석실의 화학물질노출 위험성 평가 연구 (Assessment of Risk of Exposure to Chemicals in the Analysis Centers of Organizations for measuring the Working Environment, using CHARM)

  • 박현아;최서연;우인성;이동호
    • 한국산학기술학회논문지
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    • 제18권4호
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    • pp.660-668
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    • 2017
  • 본 연구는 작업환경측정기관 분석실에서 많이 다루어지고 있는 유해화학물질에 대해 CHARM(Chemical Hazard Risk Management)을 이용한 위험성평가를 실시하고 위험성을 추정하였다. 이를 위하여 서울 및 경기지역의 위험성평가를 실시한 작업환경측정기관 6곳을 선정하였으며, 그 결과 화학물질 노출 위험성 물질은 29개 물질이 선택 되었다. 성상별로는 액체 16개, 고체 10개 물질이었고, 특별관리물질인(CMR) '발암성(Carcinogenic)' 1A - 11개, 1B - 1개, 2 - 8개, '생식세포변이 원성(Mutagenic)' 1A - 4개, 1B - 3개, 2 - 8개, '생식독성(Repro-toxic)' 1A는 해당물질이 없고, 1B - 1, 2 - 6개 물질이 포함되어 있었다. 위험성 추정 결과 '낮음'에 해당하는 물질은 30.4%, '보통' 66.1%, '높음' 3.6%로 평가 되었다. 또한 6개 기관의 각 물질별 위험성 추정 결과 2개 기관이 위험성 추정 결정 중 '높음'에 해당하는 물질을 포함하고 있었다. 본 연구를 통하여 화학물질 평가도구인 CHARM(Chemical Hazard Risk Management)을 이용한 위험성 평가를 시도하였다는데 그 의의가 있으며, 작업환경측정기관 분석실의 위험성과 관리 화학물질을 우선적으로 도출하여 안전성 평가 및 비상조치 계획 수립과 안전관리 매뉴얼 구축과 작업환경측정기관 분석실에 대한 사고 및 위험성 관리의 제도적 법적 관리의 기초 자료로 활용되기를 기대한다.

염소계 유기화합물로 오염된 지하수의 반응성 투과 벽체 처리 효율에 대한 온도의 영향 (Influence of Temperature on the Treatment Efficiency of Chlorinated Organic Substances in Groundwater by Permeable Reactive Barrier)

  • 김선혜;김은지;김동수
    • 한국물환경학회지
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    • 제30권2호
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    • pp.175-183
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    • 2014
  • The influence of temperature on the treatment efficiency of chlorinated organic substances contained in groundwater by permeable reactive barrier which is composed of $Fe^{\circ}$ has been investigated by constructing the Pourbaix diagrams for Fe-$H_2O$ system at different temperatures based on thermodynamic estimation. In aerobic condition, the equilibrium potentials for $Fe^{\circ}/Fe^{2+}$ and $Fe^{2+}/Fe^{3+}$ were observed to increase, therefore, the dechlorination reaction for organic pollutants by $Fe^{\circ}$ was considered to decline with temperature due to the diminished oxidation of reactive barrier. The result for the variations of the ionization fraction of $Fe^{2+}$ and $Fe^{3+}$ ion in the pH range of 0 ~ 2.5 obtained by employing Visual MINTEQ program showed that the ionization fraction of $Fe^{2+}$ increased with pH, however, that of $Fe^{3+}$ decreased symmetrically and the extent of the variation of ionization fraction for both ions was raised as temperature rises. The equilibrium pH for $Fe^{3+}/Fe(OH)_3$ was examined to decrease with temperature so that the treatment efficiency of chlorinated organic substance was expected to decrease with temperature due to the enhanced formation of passivating film in aerobic condition. The change of the reactivity of a specific chemical species with temperature was defined quantitatively based on the area of its stable region in Pourbaix diagram and depending on this the reactivity of $Fe^{3+}$ was shown to decrease with temperature, however, that of $Fe(OH)_3$ was decreased monotonously as temperature is raised for $Fe^{3+}/Fe(OH)_3$ equilibrium system. In anaerobic condition, the equilibrium potential for $Fe^{\circ}/Fe^{2+}$ was observed to rise and the equilibrium pH for $Fe^{2+}/Fe(OH)_2$ were examined to decrease as temperature increases, therefore, similar to that for aerobic condition the efficiency of the dechlorination reaction for organic substances was considered to be diminished when temperature rises because of the reduced oxidation of $Fe^{\circ}$ and increased formation of $Fe(OH)_2$ passivating film.