• Title/Summary/Keyword: electrostatic forces

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Drug-Biomacromolecule Interaction VIII

  • Kim, Chong-Kook;Yang, Ji-Sun;Lim, Yun-Su
    • Archives of Pharmacal Research
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    • v.7 no.2
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    • pp.87-93
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    • 1984
  • The effects of ionic strength and pH on the binding of cefazolin to bovine serum albumin (BSA) were studied by UV difference spectrophotometry. As ionic strength at constant pH and temperature increases, the apparent bining constant decreased but the number of binding sites remained almost constant at 2. The constancy of the number of binding sites with increasing the ionic strength suggests that purely electrostatic forces between BSA and drug do not have great importance in the drug binding, even though there is a decrease in the apparent binding constant. Thus, the effect of ionic strength on the interaction between drug and BSA may be explained by the changes in ionic atmosphere of the aggregated BSA molecules and competitive inhibition by phosphate ions. In addition, the higher apparent binding constant at high ionic strength is explained by conformational changes of BSA from its aggregate forms into subunits. The pH effects on the afinity of interactions indicated that the binding affinity of cefazoline is higher in the neutral region than in the alkaline region. An d at high pH value, the number of binding sites decreased from 2 to 1 because of the conformational change of BSA in the alkaline region.

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Molecular Dynamics Simulation and Density Functional Theory Investigation for Thiacalix[4]biscrown and its Complexes with Alkali-Metal Cations

  • Hong, Joo-Yeon;Lee, Che-Wook;Ham, Si-Hyun
    • Bulletin of the Korean Chemical Society
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    • v.31 no.2
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    • pp.453-456
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    • 2010
  • The structural and energetic preferences of thiacalix[4]biscrown-5 with and without alkali metal ions ($Na^+$, $K^+$, $Rb^+$, and $Cs^+$) have been theoretically investigated for the first time using molecular dynamic (MD) simulations and density functional theory (MPWB1K/6-31G(d)//B3LYP/6-31G(d)) methods. The formation of the metal ion complex by the host is mainly driven by the electrostatic attraction between crown-5 oxygens and a cation together with the minor contribution of the cation-$\pi$ interaction between two facing phenyl rings around the cation. The computed binding energies and the atomic charge distribution analysis for the metal binding complexes indicate the selectivity toward a potassium ion. The theoretical results herein explain the experimentally observed extractability order by this host towards various alkali metal ions. The physical nature and the driving forces for cation recognition by this host are discussed in detail.

Dispersion of Silicon Nitride Particles and Sintering Additives of AlN and Nd$_2$O$_3$ in Nonaqueous Suspending Media (비수계분산매체에서 질화규소와 소결첨가제 AlN 및 Nd$_2$O$_3$의 분산)

  • 김재원;백운규;윤경진
    • Journal of the Korean Ceramic Society
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    • v.36 no.2
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    • pp.210-219
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    • 1999
  • The fundamental dispersion property of Si2N4 and a combination of AlN and Nd2O3 as sintering additives in a variety of organic solvents such as alcohols, hydrocarbons, ketones, and ethers was investigated. The stabilization mechanism and interaction between organic functional groups of the various organic additives were studied to clarify the dispersibility of the ceramic particles in the nonaqueous suspending medium. characterization of the suspensions was based mainly on electrokinetic sonic amplitude(ESA) measurements and the flow curves obtained from the rheological studies as well as estimated Hamaker constants. It was found that the contribution of electrostatic repulsive forces to the Si3N4, AlN and Nd2O3 stabilization in organic media is appreciably greater than anticipated and is dependent on the physicochemical properties of organic solvents.

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Effects of Electrospinning Parameters on the Fiber Formation and Application (전기방사 조건에 따른 나노섬유상의 구조 및 응용)

  • RYU, HO SUK;PARK, JIN SOO
    • Transactions of the Korean hydrogen and new energy society
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    • v.29 no.1
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    • pp.71-80
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    • 2018
  • Electrospinning is a versatile technique that utilizes electrostatic forces to produce very thin and fine fibers of polymer ranging from submicron to nanometer scale. The technique can be applied to fibers of a various polymer types. Working parameters in the electrospinning are very important to understand not only the nature of electrospinning but also the conversion of polymer solutions into nanofibers through electrospinning. Those parameters in the electrospinning can be broadly divided into three parts. The first parameter is solution parameters such as molecular weight of polymer, concentration, viscosity, surface tension and conductivity/surface charge density of solution. The second parameter is process such as voltage, distance between the collector and the tip of the syringe, shape of collectors, flow rate. The third parameter is ambient parameters such as humidity and temperature. Fibers which made by electrospinning with working parameters are applied for various fields according to shape such as medical, cloth, photodiode, a sensor technology, catalyst, filtration, battery etc.

A Fundamental Study on Bingham Characteristics of Electro-Rheological Fluids for Control System Application (제어 시스템 적용을 위한 ER유체의 빙햄 특성에 관한 기초적 연구)

  • Jang, Sung-Cheol;Jeong, Young-Bin;Jang, Gil-Sik
    • Journal of the Korean Society of Manufacturing Process Engineers
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    • v.3 no.3
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    • pp.86-92
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    • 2004
  • This paper describes the properties of temperature-viscosity characteristics of hydrous and anhydrous electro-rheological fluids containing starch and titanium particle in silicone oil ER effects arise from electrostatic forces between the starch particles and titanium particles dispersed to the electrically insulating silicone oil induced when electric field is applied ER fluids under electric field control have been found to provide resonable estimates of ER fluid viscosity variation characteristics. Yield shear stress of the ER fluids were measured the couette cell type rheometer as a function of electrlc fields. The outer cup is connected to positive electrode(+) and bob becomes ground(-). The electrie field is applied by high voltage DC power supply. In this experiment shear rates were increased from 0 to 200 $s^{-1}$ in 2 minutes. The ER fluid's viscosity change is very small and stable at the temperature range of $40^{\circ}C$ to $60^{\circ}C$. Therefore, applications of a new ER fluid to control systems application are suitable.

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Guest Changes Host: Adsorption Site and Binding Nature of Hydrogen in MOF-5

  • Ju, Jae-Yong;Kim, Hyeong-Jun;Han, Sang-Su
    • Proceedings of the Korean Vacuum Society Conference
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    • 2014.02a
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    • pp.160.1-160.1
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    • 2014
  • Using a density functional theory calculation including van der Waals (vdW) corrections, we report that $H_2$ adsorption in a cubic-crystalline microporous metal-organic framework (MOF-5) leads to volume shrinkage, which is in contrast to the intuition that gas adsorption in a confined system (e.g., pores in a material) increases the internal pressure and then leads to volumetric expansion. This extraordinary phenomenon is closely related to the vdW interactions between MOF and $H_2$ along with the $H_2$-$H_2$ interaction, rather than the Madelung-type electrostatic interaction. At low temperatures, $H_2$ molecules adsorbed in the MOF-5 form highly symmetrical interlinked nanocages that change from a cube-like shape to a sphere-like shape with $H_2$ loading, helping to exert centrosymmetric forces and hydrostatic (volumetric) stresses from the collection of dispersive interactions. The generated internal negative stress is sufficient to overcome the stiffness of the MOF-5 which is a soft material with a low bulk modulus (15.54 GPa).

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Molecular Dynamics Study on the Pattern Transfer in Nanoimprint Lithography (분자 동역학을 이용한 나노임프린트 리소그래피에서의 패턴 전사에 관한 연구)

  • Kang Ji-Hoon;Kim Kwang-Seop;Kim Kyung-Woong
    • Tribology and Lubricants
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    • v.21 no.4
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    • pp.177-184
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    • 2005
  • The molecular dynamics simulation of nanoimprint lithography (NIL) using $SiO_2$ stamp and amorphous poly-(methylmethacrylate) (PNMA) film is performed to study pattern transfer in NIL. Force fields including bond, angle, torsion, van der Waals and electrostatic potential are used to describe the intermolecular and intramolecular force of PMMA molecules and $SiO_2$ stamp. Nose-Hoover thermostat is used to control the system temperature and cell multipole method is adopted to treat long range interactions. The deformation of PMMA film is observed during pattern transfer in the NIL process. For the detail analysis of deformation characteristics, the distributions of density and stress in PMHA film are calculated. The adhesion and friction forces are obtained by dividing the PMMA film into subregions and calculating the interacting force between subregion and stamp. Their effects on the pattern transfer are also discussed as varying the indentation depth and speed.

A semi-analytical study on the nonlinear pull-in instability of FGM nanoactuators

  • Attia, Mohamed A.;Abo-Bakr, Rasha M.
    • Structural Engineering and Mechanics
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    • v.76 no.4
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    • pp.451-463
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    • 2020
  • In this paper, a new semi-analytical solution for estimating the pull-in parameters of electrically actuated functionally graded (FG) nanobeams is proposed. All the bulk and surface material properties of the FG nanoactuator vary continuously in thickness direction according to power law distribution. Here, the modified couple stress theory (MCST) and Gurtin-Murdoch surface elasticity theory (SET) are jointly employed to capture the size effects of the nanoscale beam in the context of Euler-Bernoulli beam theory. According to the MCST and SET and accounting for the mid-plane stretching, axial residual stress, electrostatic actuation, fringing field, and dispersion (Casimir or/and van der Waals) forces, the nonlinear nonclassical equation of motion and boundary conditions are obtained derived using Hamilton principle. The proposed semi-analytical solution is derived by employing Galerkin method in conjunction with the Particle Swarm Optimization (PSO) method. The proposed solution approach is validated with the available literature. The freestanding behavior of nanoactuators is also investigated. A parametric study is conducted to illustrate the effects of different material and geometrical parameters on the pull-in response of cantilever and doubly-clamped FG nanoactuators. This model and proposed solution are helpful especially in mechanical design of micro/nanoactuators made of FGMs.

Electrochemical Catalysts Test for Nano Pt Particles on Carbon Support Synthesized by a Polyol Process Parameter Control (폴리올 공정 제어에 의한 탄소기반 나노 Pt 촉매 담지 특성 평가)

  • Chae Lin Moon;Jin Woo Bae;Soon Mok Choi
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.36 no.2
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    • pp.164-169
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    • 2023
  • Nano Pt particles were dispersed on carbon-based supports by a polyol process for a catalyst application in a polymer electrolyte fuel cell. We tried to optimize the effect of pH on the electrostatic forces between the support and the Pt colloids. We investigated the relationship among the surface charges on the carbon support, the solution pH, and the concentration of a glycolate, and the Pt particle size. The produced catalyst with nano Pt particles on the support was evaluated by the long-term cyclic voltammetry (CV) performance test and compared with the results from a commercial catalyst. Our experimental results reveal that the pH-control can modify the particle size distribution and the dispersion of the nano Pt particles. This resulted in a cost-effective method for the synthesis of highly Pt loaded Pt/C catalysts for fuel cells better than a commercial catalyst system.

Analyses of the current market trend and research status of indoor air quality control to develop an electrostatic force-based dust control technique (정전기적 힘을 이용한 실내공기 미세부유먼지 제거 요소기술의 개발을 위한 기술별 시장현황 및 연구 동향 분석)

  • Yoon, Young H.;Joo, Jin-Chul;Ahn, Ho-Sang;Nam, Sook-Hyun
    • Journal of the Korea Academia-Industrial cooperation Society
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    • v.14 no.12
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    • pp.6610-6617
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    • 2013
  • This study examined the current and future Indoor Air Quality (IAQ) control device markets and analyzed the recent studies on indoor air pollutantr emoval to develop a new technology for fine dust control. Currently, the mechanical filter technique occupies the bulk of the IAQ control market but the electronic technique is emerging as an alternative to control fine dust efficiently. Among the gaseous VOCs and fine dust particles contaminating the indoor air quality, fine dust particles are more problematic because they threaten human health by penetrating deep into the body and producing secondary contaminants by chemical reaction with VOCs. The electronic IAQ control device using dielectrophoretic and electrostatic forces is a good option for public spaces where many people pass, and at the same time, it needs to consider temperature, humidity, and the particle properties of specific areas to highlight the control efficiency. Electronic-related technology is expected to be used widely in many public/private spaces wherever a dust-free environment is required.