• Title/Summary/Keyword: Chemical screening

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Discovery of Porous Materials for H2/CO2 Gas Separation and High-Throughput Computational Screening (수소/이산화탄소 가스분리용 다공성 물질 탐색 및 고속전산스크리닝 연구동향)

  • Byung Chul Yeo
    • Korean Chemical Engineering Research
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    • v.61 no.1
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    • pp.1-7
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    • 2023
  • Gas separation technology becomes more useful because key gases such as H2 and CO2 regarding renewable energy resources and environmental pollutant can be effectively extracted in mixed gases. For reducing energy consumption on gas separation, membrane and adsorption processes are widely used. In both processes, porous materials are needed as membrane and adsorbent. In particular, metal-organic frameworks (MOFs), one class of the porous materials, have been developed for the purpose of gas adsorption and separation. While the number of the MOF structures is increasing due to chemical and structural tunability, good MOF membranes and adsorbents have been rarely reported by trial-and-error experiments. To accelerate the discovery of high-performing porous materials that can separate H2 and CO2, a high-throughput computational screening technique was used as efficient skill. This review introduces crucial studies of porous materials and the high-throughput computational screening works focusing on gas separation of H2 and CO2.

Rapid Screening Method of Peroxidase by Colorimetric Assay and Screening of 2, 4-DCP Degradable Strains (발색법에 의한 Peroxidase의 신속한 스크리닝법과 2, 4-DCP 분해균주의 스크리닝)

  • Ryu, Kang;Lee, Eun-Kyu
    • KSBB Journal
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    • v.23 no.6
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    • pp.484-488
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    • 2008
  • Chlorinated phenols are widely used by the chemical industry as intermediate products in synthesis and previously were frequently applied to various industry fields. Peroxidases catalyze the peroxide-dependent oxidation of a range of inorganic and organic compounds. Peroxidase was shown to mineralize a variety of recalcitrant aromatic compounds and to oxidize a number of polycyclic aromatic and phenolic compounds. Among monomeric phenolic and nonphenolic compounds, peroxidase is known to oxidize its compounds. In this study, a colorimetric assay was developed to quantitatively evaluate the peroxidase activity for rapid screening. Color products of different intensity were developed proportionally to the peroxidase activity on agar plate and 96-well plate. This method correlates well with the RP-HPLC result. Using this screening method, 12 colonies of strain was screened which survived at high concentration of 2,4-DCP (1000 ppm) and with peroxidase activity for the $7^{th}$ round screening step on agar plate. These strains were utilized 2,4-DCP as a sole carbon source and produced peroxidase. After the screening test, four of the bacteria have significant better effect of COD removal on dye waste-water. COD removal of these was from 44% to 61%, respectively.

An Evaluation of Thermal Stability on Esterification Process in Manufacture of Concrete Mixture Agents (시멘트 혼화제 제조시 에스테르화공정의 열 안정성 평가)

  • Lee, Keun-Won;Lee, Jung-Suk;Choi, Yi-Rae;Han, In-Soo
    • Journal of the Korean Society of Safety
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    • v.24 no.4
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    • pp.40-46
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    • 2009
  • The early identification of thermal hazards associated with a process such as the heats of reaction, exothermic decompositions, and the understanding of thermodynamics before any large scale operations are undertaken. The evaluation of reaction factors and thermal behavior on esterification process in manufacture of concrete mixture agents are described in the present paper. The experiments were performed in the differential scanning calorimetry(DSC), C 80 calorimeter, and thermal screening unit($TS^u$). The aim of the study was to evaluate the thermal stability of single material and mixture in esterification process. We provided the thermal data of chemical materials to present safe operating conditions through this study.

The Evaluating Metod of the Insecticidal Activity of Three Chitin Synthesis Inhibitors against the Yellow Mealworm, Tenebrio molitor Linnaeus (갈색거저리(Tenebrio molitor L.)에 대한 키틴합성저해제의 활성평가법)

  • Park, No-Joong;Song, Cheol;Kim, Gil-Hah;Cho, Kwang-Yun
    • Korean journal of applied entomology
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    • v.33 no.4
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    • pp.281-285
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    • 1994
  • This study was conducted to establish a nce insect pest control system, ~ es.ys tematic application of insecticides using carbohran and buproiezin, in Korea. The effects oi various dates of application and rates of buprofezin (25% WP) after carbofuran (3G) soil incorpombon in late May on the pop~~lation densities of the brown planthoppa (BPH) immigrating in July were investigated Appropriate application tune of buprofezin for the BPH that had evaded insecticidal effect of 5011 incorporated carbofuran was late July-early August. Application rate of buprofezln at 7.0g a.i/lOa was enough to suppress the BPH density. Buprofezin treatment after carbofumn soil incorporation could also suppress the whlte backed planthopper population but did not affect the densities oi the paddy rice spiders. Considering the charactenstics of occurring patterns of the nce insect pests in Korea. buprofezin treatment m late July or early August after carbofuran soil incorporation in late May can be a useful application system of ir~sectic~deins controlling early season Insect pests and migmtoly planthoppers on rice.

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Testicular Lesion in the Sprague-Dawley Rats Treated with High of 2-Bromopropane (고용량의 2-Bromopropane 투여가 Sprague-Dawley 랫트의 고환에 미치는 영향)

  • Son, Hwa-Young;Cho, Sung-Whan;Kim, Yong-Bum;Ha, Chang-Su;Kang, Boo-Hyon
    • Korean Journal of Veterinary Pathology
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    • v.1 no.2
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    • pp.97-106
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    • 1997
  • This study was carried out to investigate the testicular toxicity of environmental toxicant, 2-bromopropane(2-BP) recently caused occupational intoxication in Korea by light microscopy and electron microscopy. To evaluate the effect on spermatogenesis and find target germ cell 10 weeks old male Sprague-Dawley rats were treated with 5g/10m ℓ/kg/day of 2-bromopropane for 3 consecutive days orally and observed on day 1 or day 7 after treatment. 2-BP induced depletion of spermatogonia and early spermatocytes on stages I-IX or extensive degeneration of germ cells on the other stages on day 1. But extensive degeneration of germ cells without stage specificity was observed and round spermatid formed multinucleated giant cells in the lumen of seminiferous tubules on day 7. Electron microscopically Sertoli cells showed irregular shape of nucleus and cytoplasmic vauolation. And spermatocyte showed a extensive heterochromatin and cytoplasmic vacuolation. But there was no histopathological changes in the interstial cells. On the base of the results the target germ cell was spermatogonia in the early of the study but Srtoli cells also effected by high-dosed 2-BP in the late of the study.

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Cardiovascular Actions of KR-30006 and KR-1008, a New Dihydropyridine derivatives (새로운 Dihydropyridine 유도체, KR-30006과 KR-1008의 심장순환계 약리작용)

  • Lee, Byung-Ho;Jung, Yee-Sook;Kwon, Kwang-Il;Zee, Ok-Pyo
    • YAKHAK HOEJI
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    • v.33 no.3
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    • pp.167-174
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    • 1989
  • KR-1008 and KR-30006 are 1,4-dihydropyridine derivatives, new vasodilatory calcium antagonists from KRICT. Calcium antagonistic properties of the compounds were studied in the isolated heart (Langendorff preparation), pulmonary artery (vasodilation), and in the papillary muscle (negative inotropic effect) of the guinea pig. Antihypertensive effect were also investigated after i.v. or oral administration in the SHR (spontaneously hypertensive rat). They produced a sigificant inhibition of Ca-induced contraction in the guinea pig pulmonary artery at the concentrations of above $10^{-8}M$. The negative inotropic effect of the electrically stimulated papillary muscle appeared from the concentration of $10^{-6}M$, which is about hundred times higer than the concentration of vasodilation effect. Left ventricular pressure also decreased from the concentration of $3\;{\times}\;10^{-6}M$ in KR-1008 and KR-3006 in the Langendorff heart preparations. Coronary flow rate increased from $10^{-6}M$ in KR-1008 and nicardipine and appeared no change in KR-30006. The antihypertensive effect of KR-1008 (EC 20: $2.9\;{\mu}g/kg$) was potent more than nicardipine (EC 20: $3.4\;{\mu}g/kg$) and than Kr-30006 (EC 20: $6.8\;{\mu}g/kg$) was, after i.v. bolus injection in the anesthetized SHR. The antihypertensive effect in the conscious SHR appeared 30 minutes after oral administration of 10 mg/kg and persisted 4 hrs in KR-1008 and 12 hrs in KR-30006. Heart rate tended to increase for 0.5-1 hr after oral administration of the test compounds.

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A Systematic Review of Toxicological Studies to Identify the Association between Environmental Diseases and Environmental Factors (환경성질환과 환경유해인자의 연관성을 규명하기 위한 독성 연구 고찰)

  • Ka, Yujin;Ji, Kyunghee
    • Journal of Environmental Health Sciences
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    • v.47 no.6
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    • pp.505-512
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    • 2021
  • Background: The occurrence of environmental disease is known to be associated with chronic exposure to toxic chemicals, including waterborne contaminants, air/indoor pollutants, asbestos, ingredients in humidifier disinfectants, etc. Objectives: In this study, we reviewed toxicological studies related to environmental disease as defined by the Environmental Health Act in Korea and toxic chemicals. We also suggested a direction for future toxicological research necessary for the prevention and management of environmental disease. Methods: Trends in previous studies related to environmental disease were investigated through PubMed and Web of Science. A detailed review was provided on toxicological studies related to the humidifier disinfectants. We identified adverse outcome pathways (AOPs) that can be linked to the induction of environmental diseases, and proposed a chemical screening system that uses AOP, chemical toxicity big data, and deep learning models to select chemicals that induce environmental disease. Results: Research on chemical toxicity is increasing every year, but there is a limitation to revealing a clear causal relationship between exposure to chemicals and the occurrence of environmental disease. It is necessary to develop various exposure- and effect-biomarkers related to disease occurrence and to conduct toxicokinetic studies. A novel chemical screening system that uses AOP and chemical toxicity big data could be useful for selecting chemicals that cause environmental diseases. Conclusions: From a toxicological point of view, developing AOP related to environmental diseases and a deep learning-based chemical screening system will contribute to the prevention of environmental diseases in advance.

Identification of Potent Leukocyte Common Antigen-Related Phosphatase Inhibitors via Structure-Based Virtual Screening

  • Park, Hwangseo;Pham, Ngoc Chien;Chun, Ha-Jung;Ryu, Seong Eon
    • Bulletin of the Korean Chemical Society
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    • v.34 no.7
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    • pp.2006-2010
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    • 2013
  • Leukocyte common antigen-related phosphatase (LAR) has been considered a promising target for the development of therapeutics for neurological diseases. Here, we report the first example for a successful application of the structure-based virtual screening to identify the novel small-molecule LAR inhibitors. Five of these inhibitors revealed micromolar inhibitory activities with the associated $IC_{50}$ values ranging from 2 to 6 ${\mu}M$. Because the newly identified inhibitors were also screened for having desirable physicochemical properties as a drug candidate, they may serve as a starting point of the structure-activity relationship study to optimize the medical efficacy. Structural features relevant to the stabilization of the new inhibitors in the active site of LAR are discussed in detail.

Antifungal Activities Against Plasmodiophora brassicae Causing Club Root

  • Kim, Bum-Joon;Choi, Gyung-Ja;Cho, Kwang-Yun;Yang, Hee-Jung;Shin, Choon-Shik;Lee, Chul-Hoon;Lim, Yoong-Ho
    • Journal of Microbiology and Biotechnology
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    • v.12 no.6
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    • pp.1022-1025
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    • 2002
  • Club root is one of the major diseases that occur in crucifers. It is caused by Plasmodiophora brassicae. In order to discover microbial biopesticides against P. brassicae, forty-eight Streptomyces isolated from soil were screened. Among these, three strains showed excellent pesticidal activities. We report results on in vivo screening with fermentation broths of these strains and identification of the strain taxa.

Development of a FRET-based High-Throughput Screening System for the Discovery of Hsp90 Inhibitors

  • Oh, Sang-Mi;Ko, Yeon-Jin;Lee, Han-Jae;Kim, Jong-Hoon;Chung, Young-Sun;Park, Seung-Bum
    • Bulletin of the Korean Chemical Society
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    • v.32 no.9
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    • pp.3229-3232
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    • 2011
  • A FRET-based high-throughput screening system was developed for the discovery of competitive smallmolecule Hsp90 inhibitors. The biarsenical fluorescein derivative FlAsH and dabcyl-conjugated Hsp90 inhibitor GM were employed as the FRET donor and quencher, respectively. The spatial proximity perturbation between FlAsH-labeled Hsp90N and GM-dabcyl upon treatment of a small molecule led to changes in the FRET-induced fluorescence, monitored in a high-throughput fashion.