• Korean Chemical Engineering Research
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• v.47 no.6
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• pp.747-754
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• 2009

In this study, adsorption isotherms of o-DCB(ortho-dichlorobenzene) on an activated carbon heated at $1000^{\circ}C$ for 24 hours were obtained by experiment and were predicted by using molecular simulation. The initial molecular structure of the activated carbon was designed on the basis of its molecular formula and functional groups ratio measured experimentally. Then, the molecular structure was optimized using the COMPASS(condensed-phase optimized molecular potentials for atomistic simulation studies) force field. The particle porosity, specific surface area, and particle density obtained from the optimized molecular structure of activated carbon were compared with those experimental data. The errors between experimental data and simulation results of the particle porosity, specific surface area, and particle density were shown as 7.6, 3.8, and 2.8%, respectively. Adsorption isotherms constants of o-DCB are calculated by the GCMC(grand canonical Monte Carlo) method in the optimized molecular structure of activated carbon. The simulation result of the adsorption isotherms showed an error of under 3%, compared to that of experimental data. Adsorption isotherms, adsorption heat and pore diffusivity of 2,3,7,8-TCDD(tetrachlorodibenzo-p-dioxin) was finally obtained in the same molecular structure of the activated carbon as used for o-DCB. Thus, adsorption characteristics of persistent organic pollutants on activated carbon, which are not easy to experimentally evaluate, are predicted by the molecular simulation.

• Transactions of the Korean Society of Mechanical Engineers A
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• v.34 no.6
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• pp.731-742
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• 2010

Modeling of rubber for design or analysis often requires confusing or complex work because there are a large number of constitutive models to be considered. Some models have few material constants, while others have many. Researchers have to prepare and fit extensive experimental data with caution and discretion. In this paper, we first compared some typical rubber models in which deformation was carried out by stretching up to around eight times the original size. We conclude that continuum-based models and chain molecular models can be used in the study of the small deformation in most engineering applications, but chain molecular models are preferred in the study of the large deformations in most biomaterial applications. As discrimination problems, Treloar's patch and cylindrical balloon stick are tested theoretically and numerically for studying bifurcation. In the case of Treloar's patch, by using the Kearsley's equation, we show that bifurcation exists for continuum-based models but not for chain molecular models. Both models show bifurcation in the cylindrical balloon stick. Therefore, in the analysis of the bifurcation of rubber showed that its existence also depends on the constitutive model selected.

• Journal of Life Science
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• v.28 no.4
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• pp.488-495
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• 2018

The p53 gene plays a critical role in the transcriptional regulation of cellular response to stress, DNA damage, hypoxia, and tumor development. Keeping in mind the recently discovered manifold physiological functions of p53, its involvement in the regulation of cancer is not surprising. In about 50% of all human cancers, inactivation of p53's protein function occurs either through mutations in the gene itself or defects in the mechanisms that activate it. This disorder plays a crucial role in tumor evolution by allowing the evasion of a p53-dependent response. Many recent studies have focused on directly targeting p53 mutants by identifying selective, small molecular compounds to deplete them or to restore their tumor-suppressive function. These small molecules should effectively regulate various interactions while maintaining good drug-like properties. Among them, the discovery of the key p53-negative regulator, MDM2, has led to the design of new small molecule inhibitors that block the interaction between p53 and MDM2. Some of these small molecule compounds have now moved from proof-of-concept studies into clinical trials, with prospects for further, more personalized anti-carcinogenic medicines. Here, we review the structural and functional consequences of wild type and mutant p53 as well as the development of therapeutic agents that directly target this gene, and compounds that inhibit the interaction between it and MDM2.

• The Korean Journal of Pesticide Science
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• v.11 no.2
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• pp.72-81
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• 2007

Quantitative structure-activity relationships (QSARs) on the pre-emergency herbicidal activity and reactivity of a series of new O,O-dialkyl-1-phenoxyacetoxy-1-methylphosphonates (S) analogues against seed of cucumber (Cucumus Sativa) were discussed quantitatively using 2D-QSAR and HQSAR methods. The statistical values of HQSAR model were better than that of 2D-QSAR model. From the frontier molecular orbital (FMO) interaction between substrate molecule (S) and $BH^+$ ion (I) in PDH enzyme, the electrophilic reaction was superior in reactivity. From the effect of substituents, $R_2$-groups in substrate molecule (S) contributed to electrophilic reaction with carbonyl oxygen atom while X, Y-groups contributed to nucleophilic reaction with carbonyl carbon atom. And the influence of X,Y-groups was more effective than that of $R_2$-groups. As a results of 2D-QSAR model (I & II) and atomic contribution maps with HQSAR model, the more length of X, Y-groups is longer, the more herbicidal activity tends to increased. And also, the optimal ${\epsilon}LUMO$ energy, $({\epsilon}LUMO)_{opt.}$=-0.479 (e.v.) of substrate molecule is important factor in determining the herbicidal activity. It is predicted that the herbicidal activity proceeds through a nucleophilic reaction. From the analytical results of 2D-QSAR and HQSAR model, it is suggested that the structural distinctions and descriptors that contribute to herbicidal activities will be able to applied new herbicide design.

• Korean Journal of Clinical Laboratory Science
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• v.54 no.2
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• pp.79-94
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• 2022

Due to the highly contagious nature and severity of the respiratory diseases caused by COVID-19, economical and accurate tests are required to better monitor and prevent the spread of this contagion. As the structural and molecular properties of SARS-CoV-2 were being revealed during the early stage of the COVID-19 pandemic, many manufacturers of COVID-19 diagnostic kits actively invested in the design, development, validation, verification, and implementation of diagnostic tests. Currently, diagnostic tests for SARS-CoV-2 are the most widely used and validated techniques for rapid antigen, and immuno-serological assays for specific IgG and IgM antibody tests and molecular diagnostic tests. Molecular diagnostic assays are the gold standard for direct detection of viral RNA in individuals suspected to be infected with SARS-CoV-2. Antibody-based serological tests are indirect tests applied to determine COVID-19 prevalence in the community and identify individuals who have obtained immunity. In the future, it is necessary to explore technical problems encountered in the early stages of global or regional outbreaks of pandemics and provide future directions for better diagnostic tests. This article evaluates the commercially available and FDA-approved molecular and immunological diagnostic assays and analyzes their performance characteristics.

• Journal of the Korea Institute of Information and Communication Engineering
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• v.17 no.7
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• pp.1709-1714
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• 2013

Biological and chemical processes in the refining process can include several steps of chromatographic separation processes. Recently, with the development of biotechnology is important to a lot of attention has been paid to the process in Adsorption chromatography for the separation of biological molecules such as proteins. Therefore, in this paper, we have designed and implemented a simulation system for adsorption process modeling. This system appear visualization for simulation result or curve graph according to adsorption process modeling. The development of this system has been developed to focus on the batch adsorption process simulation program, is limited.

• Proceedings of the Korean Institute of Surface Engineering Conference
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• 2017.05a
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• pp.70-70
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• 2017

TSV(through silicon via)는 긴 종횡비를 갖는 패턴에 Cu, Ta, Ti을 높은 conformality를 갖도록 증착하는 공정이다. Magnetron cathode의 자석 배열 설계는 target 물질 종류에 따라서 multitrack, water drop type등이 있으며 target과 substrate 사이의 공간에 플라즈마를 형성시켜서 기판에 이온 입사량을 늘린 후 기판 바이어스를 이용하여 이온 충돌, re-sputtering을 통한 재증착 과정을 통해 치밀한 금속 박막을 연속적으로 형성할 수 있도록 하는 것이 목적이다. 또한 sputter가 사용되고 있는 분야에 효율을 증대시키고, 증착되는 막의 품질향상을 위해 UBMS를 사용하고 있으며, 산업에 사용되어 지는 300 mm wafer용 시스템은 제작비가 약 10억 원 정도 소요되며 다양한 테스트를 진행하기 위해선 많은 비용이 소요된다. 따라서 비용과 소요시간을 줄여 다양한 테스트를 위해 소규모 플라즈마 시스템을 설계하게 되었다. 61 l/sec 터보 분자 펌프와 다이아프램 펌프를 기초로한 TMP station에 2.75 인치 CF flange가 장착된 6 way cross를 main 챔버로 활용하고, 작은 size의 unbalanced magnetron cathode를 제작, 장착한 다음 6 way cross 주변에 전자석을 적절히 배치하여 300 mm wafer system에서와 동일한 물리적 현상을 테스트 할 수 있도록 하였다. Fig1. (a) UBMS system의 사진을 나타내었고, (b)에는 6 way cross 내부에 발생된 플라즈마의 형상을 나타내었다. 전원 장치는 Advanced Energy사의 MDX-1.5K DC power supply를 사용하였고, 방전 전압 - 전류 관계의 가스 압력에 따른 plasma 현상과 magnetron 배율에 따른 plasma 현상 그리고 전자석에 의한 영향을 주로 관찰 하였다.

• Membrane Journal
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• v.33 no.6
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• pp.409-415
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• 2023

Apart from developing better membranes, a clever reconfiguration of membrane cascade process can improve the solute selectivity and minimize solvent consumption. In this work, solvent resistant cellulose nanofiltration membranes were fabricated and the solute rejection performance in various organic solvents were tested. Interestingly, cellulose membranes exhibited unique negative rejection profile in non-polar solvents. Such trend could be exploited to yield reverse selectivity, which showed that low molecular weight solute could be concentrated in the retentate. It was found that more than 3-fold solvent saving could be achieved at the same final purity.

• Polymer Science and Technology
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• v.3 no.1
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• pp.36-43
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• 1992

Trifluoromethyl group을 내열성고분자의 주쇄에 도입하면 내열성의 큰 손실없이 용해도의 증가 및 유전상수의 감소등 절연재료로서의 성능을 향상시켜 주지만, 유연한기의 도입에 따른 $T_g$의 저하등 부정적인 효과도 나타낸다. 분자구조설계에 의해 기존 고분자재료의 성능을 향상시키려는 시도는 흔히 향상되어지는 성질들에 반비례하여 어는 다른 성질의 저하를 초래하는 경향이 있으나, 유전상수나 가공성 이외에도 낮은 열팽창계수를 갖는 polyimides, 열경화성수지인 poly(benzocyclobutene) 등의 packaging 재료로서의 개발등, 낮은 절연율, 내열성, 가공성, 접착력, 적절한 열팽창계수 및 기계적 성질 등 가능한 모든 필요성질을 동시에 최대한 만족시키는 고분자재료에 대한 개발노력이 계속되어지고 있으며 장차 혁신적인 새로운 고분자 재료의 등장도 이루어지리라고 본다.

• Proceedings of the KSME Conference
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• 2004.11a
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• pp.760-765
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• 2004

One of the obstacles for a magnetic bearing to be used in the wide range of industrial applications is the failure modes associated with magnetic bearings, which we don't expect for conventional passive bearings. These failure modes include electric power outage, power amplifier faults, position sensor faults, and the malfunction of controllers. Fault-tolerant magnetic bearing systems have been proposed so that the system can operate in spite of some faults in the system. In this paper, we designed and implemented a fault-tolerant magnetic bearing system for a turbo-molecular vacuum pump. The system can cope with the actuator/amplifier faults as well as the faults in position sensors, which are the two major fault modes in a magnetic bearing system.