• Title/Summary/Keyword: Toxicity prediction

Search Result 84, Processing Time 0.025 seconds

Prediction of Water Quality and Water Treatment in Saemankeum Lake 2. Effects on the Acute Toxicity of Heavy Metal Pollutants Associated with Metabolism of Purifier of Freshwater Quality, Corbicula leana (새만금호의 수질예측과 그에 따른 대책 2. 담수수질 정화처리자인 참재첩 ( Corbicula leana ) 의 대사생리에 미치는 중금속 오염원의 급성독성 영향)

  • 정의영;신윤경;최문술
    • The Korean Journal of Malacology
    • /
    • v.14 no.1
    • /
    • pp.51-59
    • /
    • 1998
  • 담수산 이매패류인 참재?, Corbicula leana를 대상으로 크기와 수온별로 카드뮴, 구리 및 수은 등의 중금속에 노출시켜 반수치사농도, 호흡률 및 여수율 등의 생리적 내성에 관하여 알아보았다. 17%C에서 작은 개체rnhr,-LC$^{50}$ 은 수은이 1.63 ppm이었으며, 카드뮴과 구리는 각각 7.45및 8.71 ppm으로서 수은에 비해 상당히 높은 값을 나타내었다. 큰 개체구의 경우는 수은이 2.62ppm이었으며, 카드뮴과 구리가 각각10.15와 10.20 ppm이었다. 22$^{\circ}C$의 경우 작은 개체구의 96 hr-LC$^{50}$ ppm은 카드뮴, 구리 및 수은이 각각 5.94, 7.08및 1.63 ppm이었으며, 큰 개체구에서는 각각 8.29, 8.35, 1.87ppm으로서 두수온구에서 모두 작은 개체구에서 중금속 오염원에 의한 영향이 컸으며, 독성순위는 수은>카드뮴>구리 순이었다. 한편 중금속 오염원에 노출시킨 참재첩의 수온-개체크기별 산소소비율과 여수율은 오염원의 농도증가에 따라 고수온에서 영향을 많이 받았으며, 특히 수은의 경우, 22%C-작은 개체구에서 호흡률이 50.7%, 여수율이 52.15%감소되고 있어 여수율이 보다 크게 영향을 받았다.

  • PDF

Recommended Evacuation Distance for Offsite Risk Assessment of Ammonia Release Scenarios (냉동, 냉장 시스템에서 NH3 누출 사고 시 장외영향평가를 위한 피해범위 및 대피거리 산정에 관한 연구)

  • Park, Sangwook;Jung, Seungho
    • Journal of the Korean Society of Safety
    • /
    • v.31 no.3
    • /
    • pp.156-161
    • /
    • 2016
  • An accident of an ammonia tank pipeline at a storage plant resulted in one death and three injuries in 2014. Many accidents including toxic gas releases and explosions occur in the freezing and refrigerating systems using ammonia. Especially, the consequence can be substantial due to that the large amount of ammonia is usually being used in the refrigeration systems. In this study, offsite consequence analysis has been investigated when ammonia leaks outdoors from large storages. Both flammable and toxic effects are under consideration to calculate the affected area using simulation programs for consequence analysis. ERPG-2 concentration (150 ppm) has been selected to calculate the evacuation distance out of various release scenarios for their dispersions in day or night. For offsite residential, the impact area by flammability is much smaller than that by toxicity. The methodology consists of two steps as followings; 1. Calculation for discharge rates of accidental release scenarios. 2. Dispersion simulation using the discharge rate for different conditions. This proactive prediction for accidental releases of ammonia would help emergency teams act as quick as they can.

Mathematical modeling to simulate the adsorption and internalization of copper in two freshwater algae species, Pseudokirchneriella subcapitata and Chlorella vulgaris

  • Kim, Yongeun;Lee, Minyoung;Hong, Jinsol;Cho, Kijong
    • Korean Journal of Environmental Biology
    • /
    • v.39 no.3
    • /
    • pp.298-310
    • /
    • 2021
  • Prediction of the behavior of heavy metals over time is important to evaluate the heavy metal toxicity in algae species. Various modeling studies have been well established, but there is a need for an improved model for predicting the chronic effects of metals on algae species to combine the metal kinetics and biological response of algal cells. In this study, a kinetic dynamics model was developed to predict the copper behavior(5 ㎍ L-1, 10 ㎍ L-1, and 15 ㎍ L-1) for two freshwater algae (Pseudokirchneriella subcapitata and Chlorella vulgaris) in the chronic exposure experiments (8 d and 21 d). In the experimental observations, the rapid change in copper mass between the solutions, extracellular and intracellular sites occurred within initial exposure periods, and then it was slower although the algal density changed with time. Our model showed a good agreement with the measured copper mass in each part for all tested conditions with an elapsed time (R2 for P. subcapitata: 0.928, R2 for C. vulgaris: 0.943). This study provides a novel kinetic dynamics model that is compromised between practical simplicity and realistic complexity, and it can be used to investigate the chronic effects of heavy metals on the algal population.

Predicting the Fetotoxicity of Drugs Using Machine Learning (기계학습 기반 약물의 태아 독성 예측 연구)

  • Myeonghyeon Jeong;Sunyong Yoo
    • Journal of Life Science
    • /
    • v.33 no.6
    • /
    • pp.490-497
    • /
    • 2023
  • Pregnant women may need to take medications to treat preexisting diseases or diseases that develop during pregnancy. However, some drugs may be fetotoxic and lead to, for example, teratogenicity and growth retardation. Predicting the fetotoxicity of drugs is thus important for the health of the mother and fetus. The fetotoxicity of many drugs has not been established because various challenges hinder the ability of researchers to determine their fetotoxicity. The need exists for in silico-based fetotoxicity assessment models, as they can modernize the testing paradigm, improve predictability, and reduce the use of animals and the costs of fetotoxicity testing. In this study, we collected data on the fetotoxicity of drugs and constructed fetotoxicity prediction models based on various machine learning algorithms. We optimized the models for more precise predictions by tuning the hyperparameters. We then performed quantitative performance evaluations. The results indicated that the constructed machine learning-based models had high performance (AUROC >0.85, AUPR >0.9) in fetotoxicity prediction. We also analyzed the feature importance of our model's predictions, which could be leveraged to identify the specific features of drugs that are strongly associated with fetotoxicity. The proposed model can be used to prescreen drugs and drug candidates at a lower cost and in less time. It provides a predictive score for fetotoxicity risk, which may be beneficial in the design of studies on fetotoxicity in human pregnancy.

Decomposition Characteristics of Fungicides(Benomyl) using a Design of Experiment(DOE) in an E-beam Process and Acute Toxicity Assessment (전자빔 공정에서 실험계획법을 이용한 살균제 Benomyl의 제거특성 및 독성평가)

  • Yu, Seung-Ho;Cho, Il-Hyoung;Chang, Soon-Woong;Lee, Si-Jin;Chun, Suk-Young;Kim, Han-Lae
    • Journal of Korean Society of Environmental Engineers
    • /
    • v.30 no.9
    • /
    • pp.955-960
    • /
    • 2008
  • We investigated and estimated at the characteristics of decomposition and mineralization of benomyl using a design of experiment(DOE) based on the general factorial design in an E-beam process, and also the main factors(variables) with benomyl concentration(X$_1$) and E-beam irradiation(X$_2$) which consisted of 5 levels in each factor was set up to estimate the prediction model and the optimization conditions. At frist, the benomyl in all treatment combinations except 17 and 18 trials was almost degraded and the difference in the decomposition of benomyl in the 3 blocks was not significant(p > 0.05, one-way ANOVA). However, the % of benomyl mineralization was 46%(block 1), 36.7%(block 2) and 22%(block 3) and showed the significant difference of the % that between each block(p < 0.05). The linear regression equations of benomyl mineralization in each block were also estimated as followed; block 1(Y$_1$ = 0.024X$_1$ + 34.1(R$^2$ = 0.929)), block 2(Y$_2$ = 0.026X$_2$ + 23.1(R$^2$ = 0.976)) and block 3(Y$_3$ = 0.034X$_3$ + 6.2(R$^2$ = 0.98)). The normality of benomyl mineralization obtained from Anderson-Darling test in all treatment conditions was satisfied(p > 0.05). The results of prediction model and optimization point using the canonical analysis in order to obtain the optimal operation conditions were Y = 39.96 - 9.36X$_1$ + 0.03X$_2$ - 10.67X$_1{^2}$ - 0.001X$_2{^2}$ + 0.011X$_1$X$_2$(R$^2$ = 96.3%, Adjusted R$^2$ = 94.8%) and 57.3% at 0.55 mg/L and 950 Gy, respectively. A Microtox test using V. fischeri showed that the toxicity, expressed as the inhibition(%), was reduced almost completely after an E-beam irradiation, whereas the inhibition(%) for 0.5 mg/L, 1 mg/L and 1.5 mg/L was 10.25%, 20.14% and 26.2% in the initial reactions in the absence of an E-beam illumination.

Screening for the 3' UTR Polymorphism of the PXR Gene in South Indian Breast Cancer Patients and its Potential role in Pharmacogenomics

  • Revathidevi, Sundaramoorthy;Sudesh, Ravi;Vaishnavi, Varadharajan;Kaliyanasundaram, Muthukrishnan;MaryHelen, Kilyara George;Sukanya, Ganesan;Munirajan, Arasambattu Kannan
    • Asian Pacific Journal of Cancer Prevention
    • /
    • v.17 no.8
    • /
    • pp.3971-3977
    • /
    • 2016
  • Background: Breast cancer, the commonest cancer among women in the world, ranks top in India with an incidence rate of 1,45,000 new cases and mortality rate of 70,000 women every year. Chemotherapy outcome for breast cancer is hampered due to poor response and irreversible dose-dependent cardiotoxicity which is determined by genetic variations in drug metabolizing enzymes and transporters. Pregnane X receptor (PXR), a member of the nuclear receptor superfamily, induces expression of drug metabolizing enzymes (DMEs) and transporters leading to regulation of xenobiotic metabolism. Materials and Methods: A genomic region spanning PXR 3' UTR was amplified and sequenced using genomic DNA isolated from 96 South Indian breast cancer patients. Genetic variants observed in our study subjects were queried in miRSNP to establish SNPs that alter miRNA binding sites in PXR 3' UTR. In addition, enrichment analysis was carried out to understand the network of miRNAs and PXR in drug metabolism using DIANA miRpath and miRwalk pathway prediction tools. Results: In this study, we identified SNPs rs3732359, rs3732360, rs1054190, rs1054191 and rs6438550 in the PXR 3; UTR region. The SNPs rs3732360, rs1054190 and rs1054191 were located in the binding site of miR-500a-3p, miR-532-3p and miR-374a-3p resulting in the altered PXR level due to the deregulation of post-transcriptional control and this leads to poor treatment response and toxicity. Conclusions: Genetic variants identified in PXR 3' UTR and their effects on PXR levels through post-transcriptional regulation provide a genetic basis for interindividual variability in treatment response and toxicity associated with chemotherapy.

The Search of Pig Pheromonal Odorants for Biostimulation Control System Technologies: Prediction of Pig Pheromonal Tetrahydrofuran-2-yl Family Compounds by Means of Ligand Based Approach (생물학적 자극 통제 수단으로 활용하기 위한 돼지 페로몬성 냄새 물질의 탐색: Ligand Based Approach에 의한 돼지 페로몬성 Tetrahydrofuran-2-yl 계 화합물의 예측)

  • Soung, Min-Gyu;Cho, Yun-Gi;Park, Chang-Sik;Sung, Nack-Do
    • Reproductive and Developmental Biology
    • /
    • v.32 no.3
    • /
    • pp.141-146
    • /
    • 2008
  • To search a new porcine pheromonal odorant, the models of four type (2D-QSAR, HQSAR, CoMFA & CoMSlA) were derived from quantitative structure-activity relationship (QSAR) between tetrahydrofuran-2-yl family compounds and their observed binding affinity constants (Obs.p$[Od]_{50}$). The optimized CoMFA model (predictability; $r^{2}_{cv.}(q^2)$=0.886 & correlation coefficient: $r^{2}_{ncv.}$=0.984) from ligand based approaches was confirmed as the best model among them. The $N^{1}$-allyl-$N^{2}$-(tetrahydrofuran-2-yl)methyl)oxalamide (P1), 2-(4-trimethylammoniummethylcyclohexyloxy)tetrahydrofurane (P5) and 2-(3-trimethylammoniummethylcyclohexyloxy)tetrahydrofurane (P6) molecules predicted as porcine pheromonal odorant by the CoMFA model were showed relatively high binding affinity constant values (Pred.p$[Od]_{50}=8{\sim}10$) and very lower toxicity values against some sorts of toxicity.

Prediction of Damages and Evacuation Strategies for Gas Leaks from Chlorine Transport Vehicles (염소 운송차량 가스누출시 피해예측 및 대피방안)

  • Yang, Yong-Ho;Kong, Ha-Sung
    • The Journal of the Convergence on Culture Technology
    • /
    • v.10 no.2
    • /
    • pp.407-417
    • /
    • 2024
  • The objective of this study is to predict and reduce potential damage caused by chlorine gas leaks, a hazardous material, when vehicles transporting it overturn due to accidents or other incidents. The goal is to forecast the anticipated damages caused by chlorine toxicity levels (ppm) and to design effective response strategies for mitigating them. To predict potential damages, we conducted quantitative assessments using the ALOHA program to calculate the toxic effects (ppm) and damage distances resulting from chlorine leaks, taking into account potential negligence of drivers during transportation. The extent of damage from toxic gas leaks is influenced by various factors, including the amount of the leaked hazardous material and the meteorological conditions at the time of the leak. Therefore, a comprehensive analysis of damage distances was conducted by examining various scenarios that involved variations in the amount of leakage and weather conditions. Under intermediate conditions (leakage quantity: 5 tons, wind speed: 3 m/s, atmospheric stability: D), the estimated distance for exceeding the AEGL-2 level of 2 ppm was calculated to be 9 km. This concentration poses a high risk of respiratory disturbance and potential human casualties, comparable to the toxicity of hydrogen chloride. In particular, leaks in urban areas can lead to significant loss of life. In the event of a leakage incident, we proposed a plan to minimize damage by implementing appropriate response strategies based on the location and amount of the leak when an accident occurs.

A Study on the Advancement of the Contingency Plan upon Prediction of Toxicity Damage Considering Seasonal Characteristics (계절 특성을 고려한 독성 피해예측에 따른 위기대응 고도화에 관한 연구)

  • Hwang, Man Uk;Hwang, Yong Woo;Lee, Ik Mo;Min, Dal Ki
    • Journal of Korean Society of Disaster and Security
    • /
    • v.9 no.2
    • /
    • pp.23-32
    • /
    • 2016
  • Today the issue of deterioration of industrial complexes that are located close to life space of residents has been raised as a cause of threats to the safety of local communities. In this study, in order to improve the current risk analysis and scope of community notification, simulated threat zones were comparatively analyzed by utilizing the threat zones of alternative accident scenarios and modes of seasonal weather, and the area with a high probability of damage upon the leakage of toxic substances was predicted by examining wind directions observed at each time slot for each season. In addition, limit evacuation time and minimum separation distance to minimize casualties were suggested, and a proposal to enable more reasonable safety measures for on-site workers and nearby residents made by reviewing the risk management plan currently utilized for emergency response.

Application of TREECS Program to Predict the Fate of TNT and RDX from Firing Range (TREECS 프로그램을 이용한 화약류 오염 군 사격장 토양의 TNT와 RDX 유출 특성 연구)

  • Yu, Gihyeon;Jung, Jae-Woong;Nam, Kyoungphile
    • Journal of Soil and Groundwater Environment
    • /
    • v.20 no.6
    • /
    • pp.133-139
    • /
    • 2015
  • Attention to munitions constituents such as 2,4,6-trinitrotoluene (TNT) and hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) in the firing ranges is increasing due to their toxicity and high mobility to the environment. It is helpful to use a systemic model to predict the amount of contaminants for the establishment of environmental management of firing ranges. This study employed Training Range Environmental Evaluation and Characterization System (TREECS) program to estimate the mobility characteristics of TNT and RDX via groundwater leaching, soil erosion and surface water runoff. The prediction results of the TNT and RDX migration with TREECS showed that 68% of initial TNT and 21% of initial RDX were discharged through the soil erosion and the 20% of initial TNT and 54% of initial RDX ran out the firing range via the groundwater leaching. The rest of the initial TNT and RDX moved to adjacent surface water via surface runoff. The data suggest that soil erosion and surface runoff occupying 80% of TNT to the total amount are important migration pathways. On the other hand, groundwater leachning occupying 54% to the total amount was also important pathway for RDX.