• Title/Summary/Keyword: Electrostatic Cell

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Explorations of the Electrostatic Character of a Model of Human Immunodeficiency Virus Type 1 Integrase to Offer a Prediction for the Orientation and Nature of DNA binding

  • Jung, Eun-Sun;Kwon, Yong-Jung
    • Journal of Industrial Technology
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    • v.26 no.B
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    • pp.163-171
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    • 2006
  • Human immunodeficiency virus type 1 (HIV-1) integrase plays a critical role in the life cycle of the HIV virus. An ability to accurately map its electrostatic potential, and then use this information to predict the manner in which DNA will bind to the active site of the catalytic domain could provide a foundation for inhibitory design. Attempts to discern the crystal structure of HIV-1 integrase have proven problematic, especially in the region of enzymatic activity, that being those residues involved in the catalysis of the integration of viral DNA into the host cell. However, there is a structural correlation in to the region of interest with avian sarcoma virus (ASV), so a homology model utilizing this similarity was constructed to approximate the behavior/structure of the undetermined portions of the HIV-1 integrase crystal. After this model was constructed and its energy minimized, electrostatic calculations were carried out on the substance, so that an electrostatic potential map was constructed. Using this information, it was determined that DNA binding was oriented so as to exploit the regions of positive potential nearby the active site, as well as the positive potential of the magnesium cofactors.

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Numerical Simulation far the Non-Spherical Aggregation of Charged Particles (하전 입자의 비구형 응집 성장에 대한 수치적 연구)

  • Park, Hyeong-Ho;Kim, Sang-Su;Jang, Hyeok-Sang
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.26 no.2
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    • pp.227-237
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    • 2002
  • A numerical technique for simulating the aggregation of charged particles was presented with a Brownian dynamic simulation in the free molecular regime. The Langevin equation was used for tracking each particle making up an aggregate. A periodic boundary condition was used for calculation of the aggregation process in each cell with 500 primary particles of 16 nm in diameter. We considered the thermal force and the electrostatic force for the calculation of the particle motion. The electrostatic force on a particle in the simulation cell was considered as a sum of electrostatic forces from other particles in the original cell and its replicate cells. We assumed that the electric charges accumulated on an aggregate were located on its center of mass, and aggregates were only charged with pre-charged primary particles. The morphological shape of aggregates was described in terms of the fractal dimension. In the simulation, the fractal dimension for the uncharged aggregate was D$\_$f/ = 1.761. The fractal dimension changed slightly for the various amounts of bipolar charge. However, in case of unipolar charge, the fractal dimension decreased from 1.641 to 1.537 with the increase of the average number of charges on the particles from 0.2 to 0.3 in initial states. In the bipolar charge state, the average sizes of aggregates were larger than that of the uncharged state in the early and middle stages of aggregation process, but were almost the same as the case of the uncharged state in the final stage. On the other hand, in the unipolar charge state, the average size of aggregates and the dispersion of particle volume decreased with the increasing of the charge quantities.

Effects of the Particle Electric Conductivity on the Aggregation of Unipolar Charged Nanoparticles (단극하전 나노입자의 응집성장 과정에서 입자의 전기전도도의 효과에 대한 연구)

  • Park, Hyung-Ho;Kim, Sang-Soo;Chang, Hyuk-Sang
    • Transactions of the Korean Society of Mechanical Engineers B
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    • v.27 no.2
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    • pp.173-180
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    • 2003
  • Effects of the electric conductivity of particles were studied for the aggregation process of charged particles with a Brownian dynamic simulation in the free molecular regime. A periodic boundary condition was used for the calculation of the aggregation process in each cell with 500 primary particles of 16 nm in diameter. We considered two extreme cases, a perfect conductor and a perfect nonconductor. The electrostatic force on a particle in the simulation cell was considered as a sum of electrostatic forces from other particles in the original cell and its replicate cells. We assumed that aggregates were only charged with pre-charged primary particles. The morphological shape of aggregates was described in terms of the fractal dimension. The fractal dimension for the uncharged aggregate was D$_{f}$= 1.761. However, the fractal dimension decreased from 1.694 to 1.360 for the case of the perfect conductor, and from 1.610 to 1.476 for the case of the perfect nonconductor, with the increase of the average number of charges on the primary particle from 0.2 to 0.3. These values were smaller than that of the centered charge case.e.

A Study on the Simulation of the Corona Charging Process of Polypropylene Electret Cell Using Finite Element Method (유한요소법을 이용한 폴리프로필렌 일렉트렛트 셀의 코로나 대전과정 시뮬레이션에 관한 연구)

  • Lee, Su-Kil;Park, Geon-Ho;Jung, Il-Hyung;Jang, Kyung-Uk;Lee, Joon-Ung
    • Proceedings of the KIEE Conference
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    • 1993.11a
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    • pp.169-171
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    • 1993
  • In order to estimate space charging process in the corona charging apparatus which has been used to make polymer electret cell, the electrical properties of 30[${\mu}m$] thick polypropylene film were obtained from TSC measurement after corona charging between copper knife electrode and aluminum cylinder electrode with the voltage of -8, -7, -6, -5 (kV). And, the electrostatic contour and the electric field vector were calculated using Finite Element Method with the electrical properties obtained from TSC spectra analysis. The edge effect around the edge of knife electrode affects electrostatic contour on the surface of specimen and the electric field concentration inside the polymer. As a result the uneven charging state in the electret cell due to the mistake of design was calculated, and the optimal design of corona charging apparatus opprobriate to various specimen was come to be practicable.

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Fabrication of Glass-Ceramic Coacted Electrostatic Chucks by Tape Casting (테이프캐스팅에 의한 결정화유리 도포형 정전척의 제조)

  • 방재철;이경호
    • Proceedings of the International Microelectronics And Packaging Society Conference
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    • 2002.05a
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    • pp.169-172
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    • 2002
  • This study demonstrated the feasibility of using tape-casting followed by sintering as a low-cost alternative for coating glass-ceramic or glass film on a metal substrate. The process has been successfully used to fabricate a glass-on-stainless steel and a glass-ceramic-on-molybdenum electrostatic chuck(ESC) with the insulating layer thickness about $150{\mu}{\textrm}{m}$. Electrical resistivity data of the coaling were obtained between room temperature and 55$0^{\circ}C$; although the resistivity values dropped rapidly with increasing temperature in both coatings, the glass-ceramic still retained a high value of $10^{10}$ ohm-cm at $500^{\circ}C$. Clamping pressure measurements were done using a mechanical apparatus equipped with a load-cell at temperatures up to $350^{\circ}C$ and applied voltages up to 600V; the clamping behavior of all ESCs generally followed the voltage-squared curve as predicted by theory. Based on these results, we believe that we have a viable technology for manufacturing ESCs for use in reactive-ion etch systems.

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Collection Efficiency of Particles with Effect of Blocks in the Two-Stage Electrostatic Precipitator (2단식 전기집진기 내에서 블록의 영향에 따른 입자의 집진효율)

  • 박성호;박청연
    • Proceedings of the Korea Air Pollution Research Association Conference
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    • 2000.04a
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    • pp.217-218
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    • 2000
  • 유해입자 배출 저감을 위한 대기오염 제어장치로는 필터(filter), 관성장치(inertialdevices), 침전조(settling), 스크루버(scrubber), 전기집진기(ElectroStatic Precipitator, ESP)등이 있다. 이 중, 정전기력을 이용한 전기집진기는 대전과정과 집진과정이 동일한 곳에서 이루어지는 1단식(one-stage)과 독립적으로 이루어지는 2단식(two-stage)으로 분류되며, 2단식의 경우, 대전부(charging section)와 집진부(collecting section)는 몇 개의 대전셀(charging cell)과 집진셀(collecting cell)들로 구성되어져 있다. (중략)

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Hypothetical Drug Binding Receptor Site Analysis Using CoMFA Method for 3-Arylisoquinolines Active against SK-OV-3 Tumor Cell Line (CoMFA법을 이용한 3-아릴이소퀴놀린 화합물들의 SK-OV-3 암세포에 대한 가상의 약물 작용 수용체 해석)

  • 김의기;민선영;정병호;천승훈;최보길;조원제
    • YAKHAK HOEJI
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    • v.46 no.4
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    • pp.219-225
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    • 2002
  • We have performed a 3D-QSAR/CoMFA analysis of the cytotoxic activities of thirty-five 3-arylisoquinoline derivatives against SK-OV-3 tumor cell line. The results suggested that the electrostatic, steric and hydrophobic factors of 3-arylisoquinolines were strongly correlated with the antitumor activity. Considerable predictive ability (cross-validated r2 as high as 0.841) was obtained through CoMFA.

Investigating the effect of changing parameters in the IEC device in comparative study

  • H. Ghammas;M.N. Nasrabadi
    • Nuclear Engineering and Technology
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    • v.56 no.1
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    • pp.292-300
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    • 2024
  • Kinetic simulations have been performed on an Inertial Electrostatic Confinement Fusion (IECF) device. These simulations were performed using the particle-in-cell (PIC) method to analyze the behavior of ions in an IEC device and the effects of some parameters on the Confinement Time (CT). CT is an essential factor that significantly contributes to the IEC's performance as a nuclear fusion device. Using the PIC method, the geometry of a two-grided device with variable grid radius, the number of cathode grid rings, variable pressure and different dielectric thickness for the feed stalk was simulated. In this research, with the development of previous works, the interaction of particles was simulated and compared with previous results. The simulation results are in good agreement with the previous results. In these simulations, it was found that with the increase of the dielectric thickness of the feed stalk, the electric field was weakened and as a result, the confinement time was reduced. On the other hand, with the increase of the cathode radius, the confinement time increased. Using the results, an IEC device can be designed with higher efficiency and more optimal CT for ions.