• Korean Chemical Engineering Research
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• v.61 no.4
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• pp.523-541
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• 2023

As accessibility to 3D printers increases, there is a growing frequency of exposure to chemicals associated with 3D printing. However, research on the toxicity and harmfulness of chemicals generated by 3D printing is insufficient, and the performance of toxicity prediction using in silico techniques is limited due to missing molecular structure data. In this study, quantitative structure-activity relationship (QSAR) model based on data-centric AI approach was developed to predict the toxicity of new 3D printing materials by imputing missing values in molecular descriptors. First, MissForest algorithm was utilized to impute missing values in molecular descriptors of hazardous 3D printing materials. Then, based on four different machine learning models (decision tree, random forest, XGBoost, SVM), a machine learning (ML)-based QSAR model was developed to predict the bioconcentration factor (Log BCF), octanol-air partition coefficient (Log Koa), and partition coefficient (Log P). Furthermore, the reliability of the data-centric QSAR model was validated through the Tree-SHAP (SHapley Additive exPlanations) method, which is one of explainable artificial intelligence (XAI) techniques. The proposed imputation method based on the MissForest enlarged approximately 2.5 times more molecular structure data compared to the existing data. Based on the imputed dataset of molecular descriptor, the developed data-centric QSAR model achieved approximately 73%, 76% and 92% of prediction performance for Log BCF, Log Koa, and Log P, respectively. Lastly, Tree-SHAP analysis demonstrated that the data-centric-based QSAR model achieved high prediction performance for toxicity information by identifying key molecular descriptors highly correlated with toxicity indices. Therefore, the proposed QSAR model based on the data-centric XAI approach can be extended to predict the toxicity of potential pollutants in emerging printing chemicals, chemical process, semiconductor or display process.

• Korean Journal of Environmental Biology
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• v.36 no.3
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• pp.392-399
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• 2018

Toxicity assessment of antifouling agent, zinc undecylenate (ZU) has been investigated using the rate of survival and population growth in marine rotifer, Brachionus plicatilis. The survival rate of Brachionus plicatilis was determined after 24 h of exposure to ZU and was not affected up to the maximum level of $100.0mg\;L^{-1}$ of ZU. The population growth rate (r) was determined after 72 h of exposure to ZU. It was observed that r in the controls (absence ZU) was greater than 0.5 but exhibited a sudden decrease with an increase in the concentration of ZU. ZU reduced r in a dose-dependent manner and a significant reduction occurred at a concentration greater than $12.5mg\;L^{-1}$. The 50% effective concentration ($EC_{50}$) value of r during ZU exposure was $26.4mg\;L^{-1}$, No-observed-effect-concentration (NOEC) was $6.3mg\;L^{-1}$ and Lowest-observed-effect-concentration (LOEC) was $12.5mg\;L^{-1}$, respectively. Based on the results, it is apparent that ZU concentration greater than $12.5mg\;L^{-1}$ exhibited a toxic effect on the r of zooplankton, B. plicatilis in natural ecosystems.

• Journal of the Society of Cosmetic Scientists of Korea
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• v.31 no.1 s.49
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• pp.51-58
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• 2005

Alkyl ethoxy sulfate type surfactants, widely used in commercial cleansers, are easily adsorbed to skin to often cause skin irritation and inflammation if not thoroughly rinsed nut. In order to replace or complement existing surfactants, we screened the existing surfactants through protein denaturation method, cell cytotoxicity assay and human IL-1$\alpha$ assay, etc. Fourteen surfactants have been chosen from among too irritant anionic, cationic and/or zwitter-ionic ones and investigated for cell cytotoxicity in human fibroblast cell lines using monolayer culture with the thirteen commercially available cleansers for sensitive skin. From these results, we selected 5 surfactants and 2 commercial cleansers (names not shown), such as sodium laureth sulfate (anionic), sodium cocoyl isethionate (anionic), sodium lauroamphoacetate (zwitter-ionic), and cocamidopropyl betaine (zwitter-ionic), alkyl polyglycoside (non-ionic). 20 formulations were made out of 5 surfactants and five of them were chosen through a protein denaturation method (lower than 3 M sodium dodecyl sulfate solution ($13.2\%$)), cell cytotoxicity and human patch test. These five selected formulations containing preservatives were compared to two selected commercial cleansers by cell cytotoxicity and human IL-1$\alpha$ ELISA assay using dermal equivalent. Finally, we selected the best formulation. To this formulation, fructan ($3\%$ or $5\%$) or/and portulaca extract ($3\%$ or $5\%$) well known for its anti-inflammatory and moisturizing effects were added and investigated for cell cytotoxicity using dermal equivalent. In cytotoxicity assay using dermal equivalent, two formulations containing $5\%$ fructan and $3\%$ or $5\%$ portulaca extract were less toxic than the others. In cytotoxicity assay and human IL-1$\alpha$ ELISA using 3D culture, the selected formulation containing $5\%$ fructan and $5\%$ portulaca extract showed better efficiency than those of the others and 2 commercial cleansers. As a result, we could develop a low irritant and safe liquid cleanser.

• Restorative Dentistry and Endodontics
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• v.29 no.1
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• pp.23-29
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• 2004

최근 근관 치료 영역에서는 적절한 기계적 근관 성형과 근관 세척으로만 효과적으로 근관 내 미생될의 숫자를 감소시킬 수 있어 다른 약제의 사용은 권장되고 있지 않다. 그럼 에도 불구하고 수종의 근관내 약제는 감염된 근관에서 미생물의 숫자를 줄이고 근관 내용물의 불활성화와 삼출액을 줄이기 위해 사용되고 있다. 그 중 포름 알데하이드를 함유하고 있는 Depulpin$^{(R)}$과 근관 치료학에서 오랫동안 널리 사용되어온 수산화 칼슘을 포함하고 있는 Tempcanal$^{(R)}$과 Vitapex$^{(R)}$ 등에 대한 세포 독성은 충분한 연구가 이루어지지 못한 상태이다. 이에 본 연구에서는 이들 약제가 백서에서의 세포 독성에 미치는 영향에 관하여 고찰하고자 하였다. Sprague-Dawley계 백서 숫놈 20마리를 사용하여, 각각의 쥐는 케타민과 럼푼을 근육내 주사하여 마취하였고, 복부의 피하 부위를 절개한 뒤 3개씩의 Teflon-coating된 매식체를 삽입하였다 매식체 안에는 각각 Tempcanal$^{(R)}$, Vitapex$^{(R)}$, Depulpin$^{(R)}$을 넣고, 백서 20마리를 6개군으로 나누어 매식체 삽입 후 1주 뒤, 4주 뒤에 희생시켜 매식체 주위 조직을 잘라내고 10%포르말린에 고정 후 파라핀에 포매 하였다 미세 절단기로 4$\mu$m로 연속 절단 후, hematoxy-line-eosin염색 후 3명의 관찰자가 광학 현미경으로 관찰하여 염증의 정도를 4단계로 평가한 뒤 Kruskall-Wallis test(P<0.05)로 통계 처리하였다. 그 결과 제 1군Tempcanal$^{(R)}$ 7일후 군), 제 2군(Vitapex$^{(R)}$ 7일후 군), 제 3군(Depulpin$^{(R)}$ 7일후 군) 모두 중등도의 염증도를 보였으나, 세 군간의 통계학적 유의성은 없었다. 그러나, 제 4군(Tempcanal$^{(R)}$ 30일후 군)과, 제 5군(Vitapex$^{(R)}$ 30일후 군)의 경우에서는 약한 염증도를 보여주었으나, 제 6군(Depulpin$^{(R)}$ 30일후 군)은 가장 심한 염증 반응과 함께 조직 괴사의 양상을 보여주었으며, 4, 5군과 6군간에 통계학적 유의성을 보였다. 본 실험 결과, Depulpin$^{(R)}$은 Tempcanal$^{(R)}$와 Vitapex$^{(R)}$에 비해 높은 세포 독성을 보여주공 있으나, 좀 더 많은 임상적 검증이 필요할 것으로 사료된다.

• Environmental Analysis Health and Toxicology
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• v.15 no.1_2
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• pp.31-37
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• 2000

Acetanilide may be released into the environment through air and wastewater from its production and use sites and exposed to human. Acetanilide is known to produce an analgesic effect and may pose adverse effects on human health by overly exposure. According to the EUSES system, acetanilide showed a high MOS (Margin of safety) value exceeding 6$\times$10$^4$ on a regional exposure, which is safe enough for public health. Whereas the lowest MOS value in dermal exposure was estimated as 3$\times$10$^{-4}$ on a local basis (workplace), the risk could be partly counteracted by taking preventive measures such as using mask and globes and good ventilation in the work places. Acetanilide may pose a potential risk for workers by dust inhalation. For the sake of health protection in the work places, additional data should be accumulated with respect to repeated dose toxicity, reproduction toxicity and developmental toxicity, etc. It is, therefore, recommended that acetanilide should be a candidate for further work to supplement the lacking data until it is proved to be safe in the occupational health aspects.

• The Korean Journal of Pesticide Science
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• v.13 no.2
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• pp.87-97
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• 2009

Octachlorostyrene (OCS) is a persistant and bioaccumulative toxic subtance (PBTs). In this study, acute toxicity tests on algae, daphnia and fish for octachlorostyrene and its isomers were done to determine effective concentration ($EC_{50}$), Lethal concentration ($LC_{50}$), no observed effect concentration (NOEC) or lowest observed effect concentration (LOEC). As a result, NOEC on algae growth inhibition test for octacholorostyrene and 2-, 3-chlorostyrene was determined as $0.50\;mg\;L^{-1}$, and NOEC for 4-chlorostyrene was determined as $0.13\;mg\;L^{-1}$. NOEC on daphnia, acute immobilisation test for octachlorostyrene and 2-, 3-chlorostyrene was determined as $5.00\;mg\;L^{-1}$ and $EC_{50}$ for 4-chlorostyrene was determined as $2.128\;mg\;L^{-1}$. NOEC on Oryzias Latipes, acute toxicity test for octachlorostyrene was determined as $80.0\;mg\;L^{-1}$ and NOEC for 2-, 3-chlorostyrene was determined as $60.0\;mg\;L^{-1}$. $LC_{50}$ for 4-chlorostyrene was determined as $39.0\;mg\;L^{-1}$ (48h) and $22.6\;mg\;L^{-1}$ (96h).

• Korean Journal of Environmental Biology
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• v.32 no.3
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• pp.234-242
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• 2014

In this study, gametotoxicity and embryotoxicity experiments using Hemicentrotus pulcherrimus were carried out to investigate the ecotoxicological effects of bisphenol A (BPA). We examined the effects of BPA on fertilization and normal embryogenesis at various concentrations (0, 300, 500, 800, 1000, and 1500 ppb). The results demonstrated that the fertilization rates were not changed. The normal embryogenesis rates were gradually decreased in a dose-dependent manner, and were significantly lowered following 800 ppb BPA treatment ($EC_{50}$=1056.1 ppb, 95% Cl=981.8~1163.9 ppb). The observed effective concentration and the lowest observed effective concentration of the normal embryogenesis rate were 500 ppb and 800 ppb, respectively. The embryos showed retarded development at each tested concentration, indicating the fact the embryonic development was delayed due to the increasing concentrations of BPA. Furthermore, we examined the expression of glutathione S-transferase (GST) mRNA at various concentrations of BPA in H. pulcherrimus. Interestingly, it was found that the expression level of GST mRNA was significantly increased in the experimental group exposed to BPA. Based on these results, we suggested that BPA at greater than 800 ppb has a toxic effect during the early embryonic stages of H. pulcherrimus, and GST mRNA may be used as a biomarker for risk assessment of BPA contamination.

• Korean journal of applied entomology
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• v.61 no.4
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• pp.519-528
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• 2022

The western flower thrips, Frankliniella occidentalis, infests the hot pepper cultivated in greenhouses and has been considered to be controlled by a natural enemy, Orius laevigatus. However, sporadic outbreaks of the thrips due to fast population growth occasionally need chemical insecticide treatments. This study was designed to develop an optimal integrated pest management (IPM) by using selective insecticides along with a safe re-introduction technique of the natural enemy after the chemical insecticide treatment. First, chemical insecticides were screened to select the high toxic commercial products against F. occidentalis. Five insecticides containing active components (pyriproxyfen+spinetoram, abamectin, spinosad, acetamiprid, and chlorpyrifos) were selected among 17 commercial products. These five selected insecticides gave different toxic properties to the natural enemy, O. laevigatus. Especially, abamectin and spinetoram gave relatively low toxicity to the natural enemy compared to organophosphate or neonicotinoid. Furthermore, the five selected insecticides were assessed in their residual toxicities against O. laevigatus. Organophosphate and neonicotinoid insecticides showed relatively longer residual toxicity compared to abamectin and spinosads. Indeed, abamectin or spinetoram did not give any significant toxicity to O. laevigatus after 3 days post-treatment. These residual effects were further supported by the assessment of the chemical residue analysis of the insecticides using LC-MS/MS. These results suggest an IPM technology: (1) chemical treatment of abamectin or spinetoram against sporadic outbreaks of F. occidentalis infesting hot pepper and (2) re-introduction of O. laevigatus to the crops after 3 days post-treatment to depress the equilibrium density below an economic injury level.

• Journal of the Korea Convergence Society
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• v.8 no.1
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• pp.239-243
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• 2017

This study aims to demonstrate the inhibitory effect of proinflammatory cytokines by using Frankinsense. The present data was designed to determine the production of the frankincence on pro-inflammatory factors such as $TNF-{\alpha}$ and $IL-1{\beta}$ in lipopolysaccharide(LPS) stimulated RAW264.7 macrophages cell. The cell toxicity was identified by CellTiter 96 AQueous One solution cell proliferation assay. To evaluate of anti-inflammatory effect of frankincence, pro-inflammatory cytokines were measured by ELISA kit. As a result, the frankincence reduced NO and $TNF-{\alpha}$ production without cytotoxicity. As a result, Francincense was not cytotoxic at 10 ug / ml-1000 ug / ml and significantly inhibited the proinflammatory cytokines $TNF-{\alpha}$ and $IL-1{\beta}$. The secretion inhibition effect of proinflammatory cytokine is believed to be applicable to various physiological activity data and functional materials to demonstrate the anti - inflammatory properties of frankincense.

• Journal of Soil and Groundwater Environment
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• v.14 no.1
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• pp.18-28
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• 2009

Many countries have recently established legal regulations and soil quality standards for soil protection, This study investigated the role of soil quality standards in soil protection policy and methods of selecting standard substances from various types of chemicals. In most countries, soil quality standards act as guidance for further detail surveyor risk assessment from comparing soil concentration with the soil quality standards. Soil quality standards of Switzerland, Demark and Japan were used as enforcement tools. Priority substances for the standards were first selected from frequently detected chemicals in contaminated sites. Those substances were extensively evaluated for toxic effects, exposure potential and availability in chemical analysis.