• Title/Summary/Keyword: 분자 설계

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Output characteristics of a continuous wave deuterium fluoride chemical laser (연속발진 불화중수소 화학 레이저 출력특성)

  • 이정환;박병서;김재기
    • Korean Journal of Optics and Photonics
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    • v.13 no.1
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    • pp.65-69
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    • 2002
  • A continuous wave deuterium fluoride (DF) chemical laser was designed and manufactured, and we have achieved DF laser beam generation with the maximum output power of 101 W. The gain medium is vibration-rotationally excited DF molecules produced by F+D$_2$ cold reaction through supersonic diffusion mixing in an optical cavity. F atoms are produced in a combustor by F$_2$+ H$_2$ reaction and injected into the cavity through a supersonic nozzle. The optimal chemical efficiency was measured to be 5.12% and specific power to be 96.5 J/g.

Altered Langmuir Adsorption Isotherm under the Consideration of the Displacement of Water Molecules with Adsorbate Ion at the Surface of Adsorbent (흡착제(吸着劑) 표면(表面)에서의 흡착질(吸着質)과 물분자(分子)의 치환(置換)을 고려(考慮)한 수정(修正) Langmuir 등온흡착식(等溫吸着式))

  • Kim, Dong-Su
    • Resources Recycling
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    • v.15 no.3 s.71
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    • pp.81-86
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    • 2006
  • Altered Langmuir adsorption isotherm has been suggested for adsorption reactions occurring in aqueous environment based upon the concept of the steric displacement between adsorbates and water molecules at the surface of adsorbent. For the adsorption of $Cd^{2+}$ on activated carbon, the suggested adsorption isotherm was shown to be more well applied to the experimental results compared with the classical Langmuir adsorption isotherm. Based on this, regarding the adsorption system which following the Langmuir model more precise design and controllable operation of the process were considered to be attainable when the adsorption process is analyzed employing the altered adsorption isotherm.

Data Mining Techniques for Analyzing Promoter Sequences (프로모터 염기서열 분석을 위한 데이터 마이닝 기법)

  • 김정자;이도헌
    • Proceedings of the Korean Institute of Information and Commucation Sciences Conference
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    • 2000.10a
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    • pp.328-332
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    • 2000
  • As DNA sequences have been known through the Genome project the techniques for dealing with molecule-level gene information are being made researches briskly. It is also urgent to develop new computer algorithms for making databases and analyzing it efficiently considering the vastness of the information for known sequences. In this respect, this paper studies the association rule search algorithms for finding out the characteristics shown by means of the association between promoter sequences and genes, which is one of the important research areas in molecular biology. This paper treat biological data, while previous search algorithms used transaction data. So, we design a transformed association nile algorithm that covers data types and biological properties. These research results will contribute to reducing the time and the cost for biological experiments by minimizing their candidates.

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Measurement and Analysis of Diffusivity for SBS/cyclic Solvent Systems Using CCIGC Technique (CCIGC 기법을 사용한 SBS/cyclic solvent 시스템에서의 확산계수 측정 및 해석)

  • Kim, Jiui;Hong, Seong Uk
    • Applied Chemistry for Engineering
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    • v.25 no.2
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    • pp.147-151
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    • 2014
  • In many polymer processing operations, the diffusion of small molecules in polymeric materials plays an important role. The fundamental physical property required to design and optimize processing operations is the mutual diffusion coefficient. To investigate the transport properties of polymer/solvent systems at infinite dilution, capillary column inverse gas chromatography (CCIGC) is often employed. In this study, diffusion and partition coefficients of cyclic solvents in styrene/butadiene/styrene (SBS) block copolymer were measured over a wide temperature range using the CCIGC technique.

HDM2-p53 상호작용 억제제 개발에서의 탄화수소체인의 역할과 중요성

  • Yeo, Jin-Hui;Im, Hae-Ri;Ham, Si-Hyeon
    • Proceeding of EDISON Challenge
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    • 2017.03a
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    • pp.158-164
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    • 2017
  • 암을 억제시키는 기능을 하는 단백질로 잘 알려진 p53은, 주로 종양세포에서 과도하게 발현되는 단백질인 HDM2와 복합체를 형성하여 비활성화되고 항암기능을 상실하게 됩니다. 때문에 종양세포에서의 p53-HDM2의 상호작용을 억제하기 위해 현재까지 많은 연구가 진행되어왔으며, 다양한 p53-HDM2 억제제가 개발된 바 있습니다. 최근 연구들에 따르면, HDM2와 결합친화도를 높이고 소수성 작용(hydrophobic interaction)에 기여하여 보다 안정한 구조를 만드는 탄화수소체인(staple)을 연결시킨 펩타이드 설계에 대한 관심이 높아지고 있는 추세입니다. 이에, 본 연구에서는 분자동역학 모의실험을 통해서 얻은 탄화수소체인-p53과 비탄화수소체인-p53 및 각각의 HDM2와 결합한 복합체를 기반으로 EDISON의 용매화 자유에너지(Solvation Free Energy) 프로그램을 이용하여 탄화수소체인의 특징 및 역할을 구조적인 측면과 열역학적인 측면으로 분석하여 비교하고자 합니다. 우리 연구에서 비탄화수소체인-p53의 구조는 분자동역학 시뮬레이션을 수행하는 동안 나선구조형태로 풀려 HDM2와 결합 유도 시에 주요결합 아미노산 잔기가 올바른 결합부위와 상호작용하지 못한 결과를 확인한 반면, 탄화수소체인이 형성된 구조는 시뮬레이션 동안에도 펩타이드의 나선구조를 유지시켜 HDM2와 주요 결합을 형성하는 아미노산 잔기들을 올바른 방향으로 배치시켜 HDM2와의 결합친화도를 높였습니다. 이 연구 결과는 탄화수소체인이 펩타이드의 나선성을 유지시키고, HDM2와의 상호작용을 통한 구조적인 안정성 유도 및 용매화 자유에너지에 큰 기여를 통해 p53-HDM2상호작용 억제제에서 긍정적인 역할을 할 가능성을 보여줍니다.

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Data Mining Techniques for Analyzing Promoter Sequences (프로모터 염기서열 분석을 위한 데이터 마이닝 기법)

  • 김정자;이도헌
    • Journal of the Korea Institute of Information and Communication Engineering
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    • v.4 no.4
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    • pp.739-744
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    • 2000
  • As DNA sequences have been known through the Genome project the techniques for dealing with molecule-level gene information are being made researches briskly. It is also urgent to develop new computer algorithms for making databases and analyzing it efficiently considering the vastness of the information for known sequences. In this respect, this paper studies the association rule search algorithms for finding out the characteristics shown by means of the association between promoter sequences and genes, which is one of the important research areas in molecular biology. This paper treat biological data, while previous search algorithms used transaction data. So, we design a transformed association rule algorithm that covers data types and biological properties. These research results will contribute to reducing the time and the cost for biological experiments by minimizing their candidates.

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Process Development for in-situ Transverse Orientation of TLCP Fibril in PC/TLCP Blends (액정고분자 복합계의 in-situ 횡단면 배향을 위한 공정개발)

  • 이재욱
    • The Korean Journal of Rheology
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    • v.10 no.2
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    • pp.82-91
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    • 1998
  • 액정고분자/폴리카보네이트 혼합계로 구성된 분자복합계를 쉬트상으로 가공할 때 취 약해지기 쉬운 횡단면 방향의 물성을 향상시키기 위하여 미세섬유상의 배향을 in-situ 상태 로 적절히 제어할수 있는 Simultaneous Convergent-Divergent(SCD) 다이를 설계·제작하 고 압출실험을 수행하여 얻은 압출 쉬트를 대상으로 구조-물성-가공의 상관관계를 조사하 였다. 액정고분자의 첨가 함량에 따른 토오크와 토출량의 변화는 액정고분자를 10wt% 소량 첨가하였음에도 현저한 감소 효과를 보였으며 약 30wt%일 때 최소로되었다. 이는 액정고분 자가 보강 기능외에 가공특성의 개선에도 큰 효과가 있어 가공조제로서의 가능성을 보이는 결과로 혼합계의 유변학적 특성 결과에서도 확인할수 있었다. 또 DSC와 DMA를 이용한 열 분석 결과 액정고분자의 함량이 증가함에 따라 PC의 유리전이온도가 다소 감소하는 현상을 보임에 미루어 이 혼합계는 부분적으로 상용성을 갖는 것으로 볼수 있으며 모폴로지 분석을 통해서도 이를 확인할수 있었다. TLCP/PC 혼합계로 구성되는 분자복합재를 SCD 다이를 사용하여 제조한 압출 쉬트의 방향성에 따른 기계적 물성은 기존의 쉬트 다이보다 흐름방향 으로는 다소 낮은 물성치를 보이지만 횡단면 방향으로는 물성이 현저히 향상됨을 관찰할수 있었다. 모폴로지 분석결과 기존의 쉬트 다이의 경우 벽면 부근에서는 액정고분자가 미세섬 유상으로 형성되어 흐름방향으로 배향되어 있지만 중심부에서는 액정 상태로 존재하는 반 면, SCD 다이의 경우 미세섬유상으로 형성된 액정고분자가 벽면에서부터 중심부로 갈수록 횡단면 방향으로 서서히 배향되어 있음을 확인할수 있었다.

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Herbicidal activity and molecular design of benzotriazole derivatives (Benzotriazole계 유도체의 제초활성과 분자 설계)

  • Sung, Nack-Do;Park, Hyeon-Joo;Park, Seung-Heui;Pyon, Jong-Yeong
    • Applied Biological Chemistry
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    • v.34 no.3
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    • pp.287-294
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    • 1991
  • The relationships between the quantitative structure of benzotriazoles and their post-emergence growth inhibiting activity$(pI_{50})$ against Oryzae sativa L. and Echinochloa crus-galli were investigated using a generalized quantitative structure activity relationships (QSAR). According to the QSAR analysis, the free radical parameter $(E_R)$ is a very important factor and the growth inhibiting activity values showed parabolic relation to $E_R$ parameter of para-substituents(X). The activity of (3) was superior to those of (4) and (3b) is selected as the most highly effective compound. The optimal values of $E_R$ parameter of the growth inhibiting activity aganist E.crus-galli are $E_R(3)=0.52\;and\;E_R(4)=0.15$, respectively. From the result of molecular design, the substituents(X) of electron withdrawing properties and $E_R$ parameter of optimal value(0.52) were most desirable for high activity of the benzotriazoles. And in view of this, benzotriazoles may also be effective in blocking the photosynthetic electron transfer.

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Design and Configuration of 200kW Organic Rankine Cycle Turbine (200kW ORC 터빈 개발 및 구성)

  • Han, Sangjo;Seo, JongBeom
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.38 no.12
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    • pp.1057-1064
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    • 2014
  • Recently, there has been a growing interest in sustainable energy. One method that has been used is an organic Rankine cycle using conventional turbine technology with a low-temperature waste heat source. A 200-kW organic Rankine cycle (ORC) system was designed for a waste heat recovery application using R245fa as the working fluid. A radial turbine running at 15,000 rpm was employed to generate more than 200 kW with an expansion ratio of nine. Because an ORC turbine uses a refrigerant as the working fluid, the ideal gas law was not employed to design the turbine. In addition, the complexity of the molecular structure of R245fa made it difficult to design the turbine. Because R245fa has an Ma value of one at a low velocity for the working fluid (about 1/3 of the speed of sound in air) at about $100^{\circ}C$, it easily reaches a supersonic flow condition with a small pressure expansion. To increase the efficiency of the turbine, a dual stage radial-type turbine with a subsonic speed was suggested. This paper will describe the design procedure and performance evaluation of the ORC turbine using R245fa.

Multi-scale Analysis of Thin film Considering Surface Effects (표면효과를 고려한 박막구조의 멀티스케일 해석)

  • Cho, Maeng-Hyo;Choi, Jin-Bok;Jung, Kwang-Sub
    • Journal of the Computational Structural Engineering Institute of Korea
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    • v.20 no.3
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    • pp.287-292
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    • 2007
  • In general, the response of bulk material is independent of its size when it comes to considering classical elasticity theory. Because the surface to bulk ratio of the large solids is very small, the influence of surface can be negligible. But the surface effect plays important role as the surface to bulk ratio becomes larger, that is, the contribution of the surface effect must be considered in nano-size elements such as thin film or beam structure. Molecular dynamics computation has been a conventional way to analyze these ultra-thin structures but this method is limited to simulate on the order of $10^6{\sim}10^9$ atoms for a few nanoseconds, and besides, very time consuming. Analysis of structures in submicro to micro range(thin-film, wire etc.) is difficult with classical molecular dynamics due to the restriction of computing resources and time. Therefore, in this paper, the continuum-based method is considered to simulate the overall physical and mechanical properties of the structures in nano-scale, especially, for the thin-film.