• Title/Summary/Keyword: Electrostatic analysis

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CoMFA Based Quantitative Structure Toxicity Relationship of Azo Dyes

  • Pasha, F.A.;Nam, Kee-Dal;Cho, Seung-Joo
    • Molecular & Cellular Toxicology
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    • v.3 no.2
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    • pp.145-149
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    • 2007
  • Studies of relationship between structure and toxicity of azo dyes have been performed with comparative molecular field analysis (CoMFA) techniques. 3D QSTR analyses indicate that the steric and electrostatic interactions are important. The steric field based model gives strong correlation ($q^2$=0.57, $r^2$= 0.92). The steric field in conjunction with electrostatic field give more strong correlation ($q^2$=0.57, $r^2$=0.95). All study indicates that a bulky and electronegative group at benzene ring and a small group at position 3 of aniline ring might be significant to reduce the mutagenicity.

Numerical Modeling of Perturbation Effects of Electrostatic Probe into 2D ICP(inductively coupled plasma) (2D-ICP(inductively coupled plasma)에서 정전 탐침 삽입 시의 플라즈마 수치 계산)

  • Joo, Jung-Hoon
    • Journal of Surface Science and Engineering
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    • v.44 no.1
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    • pp.26-31
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    • 2011
  • Numerical modeling is used to investigate the perturbation of a single Langmuir probe (0.2 mm diameter shielded with 6 mm insulator) inserted along the center axis of a cylindrical inductively coupled plasma chamber filled with Ar at 10 mTorr and driven by 13 MHz. The probe was driven by a sine wave. When the probe tip is close to a substrate by 24.5 mm, the probe characteristics was unperturbed. At 10 mm above the substrate, the time averaged electric potential distribution around the tip was severly distorted making a normal probe analysis impossible.

Characteristics of the Multi-Hydrogen Bonded Systems: DFT Description on the Solvated Electrons

  • Xu, Jun
    • Bulletin of the Korean Chemical Society
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    • v.34 no.11
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    • pp.3265-3268
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    • 2013
  • The multi-hydrogen bonded systems with the solvated electrons are investigated at the B3LYP/6-311++$G^{**}$ basis set level. The symmetrical linear geometrical characteristic is common for the dimer systems, while for the tetramer system, the tetrahedron configuration is generated. The NBO charge analyses demonstrate that the multi-hydrogen-multi-electron (mH-ne) coupling exist in these anion systems, as is supported by the electrostatic potential and the molecular orbital analyses. The positive chemical shift value of the central hydrogen ($H_c$) and the negative chemical shift value of the terminal hydrogen ($H_t$) indicate that the $H_c$ is electronegative while the $H_t$ is electropositive, respectively. Strong coupling between two central hydrogen atoms is demonstrated by the large spin-spin coupling constants. The solvated electron donates significant contributions for the stability of these systems.

Thermodynamic Elucidation of Binding Isotherms for Hemoglobin & Globin of Human and Bovine upon Interaction with Dodecyl Trimethyl Ammonium Bromide

  • Bordbar, A.K.;Nasehzadeh, A.;Ajloo, D.;Omidiyan, K.;Naghibi, H.;Mehrabi, M.;Khajehpour, H.;Rezaei-Tavirani, M.;Moosavi-Movahedi, A.A.
    • Bulletin of the Korean Chemical Society
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    • v.23 no.8
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    • pp.1073-1077
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    • 2002
  • Binding of dodecyl trimethylammonium bromide (DTAB) to human and bovine hemoglobin and globin samples has been investigated in 50 mM glycine buffer pH = 10, I = 0.0318 and 300 K by equilibrium dialysis and temperature scanning spectrophotometry techniques and method for calculation of average hydrophobicity. The binding data has been analyzed, in terms of binding capacity concept $({\theta})$, Hill coefficient (nH) and intrinsic Gibbs free energy of binding $({\Delta}Gbv).$ The results of binding data, melting point (Tm) and average hydrophobicity show that human hemoglobin has more structural stability than bovine hemoglobin sample. Moreover the results of binding data analysis represent the systems with two and one sets of binding sites for hemoglobin and globin, respectively. It seems that the destabilization of hemoglobin structure due to removal of heme group, is responsible of such behavior. The results indicating the removal of heme group from hemoglobin caused the depletion of first binding set as an electrostatic site upon interaction with DTAB and exposing the hydrophobic patches for protein.

Analysis of Characteristics on the Static Electricity by Streaming Electrification (유동대전에 의한 정전기 특성 분석)

  • Kim, Gil-Tae;Lee, Jae-Keun
    • Journal of the Korean Society of Safety
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    • v.20 no.3 s.71
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    • pp.42-46
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    • 2005
  • The static electricity by thinner flow and discharge energy is investigated experimentally for the purpose of preventing the electrostatic discharge and damage. Test system for evaluating streaming electrification consists of a teflon pipe, a reservoir tank a pump, flowmeters and an electrometer. When dielectric liquid flows through a pipe from one vessel to another, the potential difference generated in the collecting vessel is due to the accumulation of charges. These charges result from the convection of a part of the electrical double layer existing in the tube at the contact between the liquid and the inner wall. When the fluid velocity increases, the electric current increases proportionally. The charging current and accumulated charges by streaming electrification at the thinner velocity of 40cm/s are measured a range of 5 nA and $0.27{\mu}C$ respectively. This amount of static discharge energy generated by streaming electrification is enough to ignite flammable solvent. Therefore surface electric potential should decrease by using electrostatic shielding and ground.

Space Charge Analysis in Polymers Irradiated by Electron Beam (E-빔 조사에 의한 폴리머의 공간전하 해석)

  • Yun, Ju-Ho;Choi, Yong-Sung;Moon, Jong-Dae;Lee, Kyung-Sup
    • Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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    • 2007.11a
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    • pp.309-310
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    • 2007
  • Spacecrafts such as most of commercial satellites that are operating in the geostationary orbit can be subjected to intense irradiation by charged particles. The surface made of dielectric materials can therefore become probable sites for damaging electrostatic discharges. Thanks to a specially equipped chamber, the spatial environment can be reproduced experimentally in the laboratory. In this paper, the behavior of high energy electrons injected in polymers such as PolyMethylMetaAcrylate (PMMA) and Kapton is studied. Results obtained by surface potential technique, pulse-electro acoustic device and a cell based on the split Faraday cup system are analyzed and discussed.

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Quantitative Structure-Activity Relationship (QSAR) Study by Use of Theoretical Descriptors : Quinolone and Naphthyridine

  • Lee Keun Woo;Kim Hojing
    • Bulletin of the Korean Chemical Society
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    • v.15 no.12
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    • pp.1070-1079
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    • 1994
  • Quantitative Structure-Activity Relationship (QSAR) studies are performed for the sets of 40 quinolones and 47 naphthyridines. Net charge, van der Waals volume, polarizability, and dipole moment are empolyed as theoretical descriptors(independent variables) to find the relationship between activity and physicochemical properties such as electrostatic effect, steric effect, and transferability. The results are analyzed by the regression and the factor analysis. It is found that for Gram-negative bacteria, the QSAR of quinolone and naphthyridine are substantially different: to describe the activity, the electrostatic effect is the most important for quinolone, and the steric effect and the transferability for naphthyridine.

Simulation and Quasi-linear Theory of Magnetospheric Bernstein Mode Instability

  • Lee, Junggi;Yoon, Peter H.;Hwang, Junga;Choe, Gwang Son
    • The Bulletin of The Korean Astronomical Society
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    • v.44 no.2
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    • pp.70.1-70.1
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    • 2019
  • Multiple-harmonic electron cyclotron emissions, often known in the literature as the (n + 1∕2)fce emissions, are a common occurrence in the magnetosphere. These emissions are often interpreted in terms of the Bernstein mode instability driven by the electron loss cone velocity distribution function. Alternatively, they can be interpreted as quasi-thermal emission of electrostatic fluctuations in magnetized plasmas. The present paper carries out a one-dimensional relativistic electromagnetic particle-in-cell simulation and also employs a reduced quasi-linear kinetic theoretical analysis in order to compare against the simulation. It is found that the Bernstein mode instability is indeed excited by the loss cone distribution of electrons, but the saturation level of the electrostatic mode is quite low, and that the effects of instability on the electrons is rather minimal. This supports the interpretation of multiple-harmonic emission in the context of the spontaneous emission and reabsorption in quasi-thermal magnetized plasma in the magnetosphere.

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Particle Swarm Optimization based Haptic Localization of Plates with Electrostatic Vibration Actuators

  • Gwanghyun Jo;Tae-Heon Yang;Seong-Yoon Shin
    • Journal of information and communication convergence engineering
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    • v.22 no.2
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    • pp.127-132
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    • 2024
  • Haptic actuators for large display panels play an important role in bridging the gap between the digital and physical world by generating interactive feedback for users. However, the generation of meaningful haptic feedback is challenging for large display panels. There are dead zones with low haptic sensations when a small number of actuators are applied. In contrast, it is important to control the traveling wave generated by the actuators in the presence of multiple actuators. In this study, we propose a particle swarm optimization (PSO)-based algorithm for the haptic localization of plates with electrostatic vibration actuators. We modeled the transverse displacement of a plate under the effect of actuators by employing the Kirchhoff-Love plate theory. In addition, starting with twenty randomly generated particles containing the actuator parameters, we searched for the optimal actuator parameters using a stochastic process to yield localization. The capability of the proposed PSO algorithm is reported and the transverse displacement has a high magnitude only in the targeted region.

Advanced atomic force microscopy-based techniques for nanoscale characterization of switching devices for emerging neuromorphic applications

  • Young-Min Kim;Jihye Lee;Deok-Jin Jeon;Si-Eun Oh;Jong-Souk Yeo
    • Applied Microscopy
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    • v.51
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    • pp.7.1-7.9
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    • 2021
  • Neuromorphic systems require integrated structures with high-density memory and selector devices to avoid interference and recognition errors between neighboring memory cells. To improve the performance of a selector device, it is important to understand the characteristics of the switching process. As changes by switching cycle occur at local nanoscale areas, a high-resolution analysis method is needed to investigate this phenomenon. Atomic force microscopy (AFM) is used to analyze the local changes because it offers nanoscale detection with high-resolution capabilities. This review introduces various types of AFM such as conductive AFM (C-AFM), electrostatic force microscopy (EFM), and Kelvin probe force microscopy (KPFM) to study switching behaviors.