• 제목/요약/키워드: electrostatic forces

검색결과 113건 처리시간 0.029초

Drug-Biomacromolecule Interaction VIII

  • Kim, Chong-Kook;Yang, Ji-Sun;Lim, Yun-Su
    • Archives of Pharmacal Research
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    • 제7권2호
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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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    • 제31권2호
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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.

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

  • 김재원;백운규;윤경진
    • 한국세라믹학회지
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    • 제36권2호
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    • pp.210-219
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    • 1999
  • Alcohols, hydrocarbons, ketones 그리고 ethers와 같은 다양한 유기용매에서 질화규소 및 소결첨가제로 사용되는 AlN, Nd2O3 입자의 분산특성을 연구하였다. 분산안정화기구 및 유기공정첨가제와의 상호작용에 관한 연구를 수행하여 비수계 시스템에서 세라믹 입자의 분산성을 규명하였다. 현탁액의 물성특성은 산술된 Hamaker 상수 뿐 아니라 electrokinetic sonic amplitude 측정 및 유동학적 결과로부터 얻어진 흐름곡선을 이용하여 평가하였다. 유기용매 내에서 Si3N4, AlN 그리고 Nd2O3 분산안정화에 기여하는 정전기적 척력은 예상보다 컸으며, 이것은 유기용매의 물리화학적 특성에 의존함을 알 수 있었다.

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

  • 유호석;박진수
    • 한국수소및신에너지학회논문집
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    • 제29권1호
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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.

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

  • 장성철;정영빈;장길식
    • 한국기계가공학회지
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    • 제3권3호
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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

  • 주재용;김형준;한상수
    • 한국진공학회:학술대회논문집
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    • 한국진공학회 2014년도 제46회 동계 정기학술대회 초록집
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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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분자 동역학을 이용한 나노임프린트 리소그래피에서의 패턴 전사에 관한 연구 (Molecular Dynamics Study on the Pattern Transfer in Nanoimprint Lithography)

  • 강지훈;김광섭;김경웅
    • Tribology and Lubricants
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    • 제21권4호
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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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    • 제76권4호
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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.

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

  • 문채린;배진우;최순목
    • 한국전기전자재료학회논문지
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    • 제36권2호
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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.

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

  • 윤영한;주진철;안호상;남숙현
    • 한국산학기술학회논문지
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    • 제14권12호
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    • pp.6610-6617
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    • 2013
  • 본 연구에서는 실내공기 오염물질의 제어를 통하여 공기질을 개선 할 수 있는 요소기술의 개발을 위하여 최근의 관련 기술 및 시장 현황을 살펴보고, 실내공기질 오염물질의 특성과 최근에 이루어진 연구를 바탕으로 실내공기질 제어 기술의 특징 및 장 단점을 분석하였다. 적용기술에 따른 공기청정장치의 종류 중에는 현재 필터를 이용한 기계식 여과기술 및 장치산업이 대부분을 차지하고 있으나, 최근에는 설치와 작동이 간편하고 에너지 효율과 기술의 적용성도 좋은 전기전자식 기술이 주목받고 있으며 기계식 장치(5.5%), 이온화 장치(-0.3%), 오존청정(-0.5%) 등 다른 기술에 비하여 향후 시장 발전가능성(성장률 6.3%)이 높은 것으로 분석되었다. 실내 공기질의 오염은 가스상의 VOCs와 입자상의 미세먼지들이 주 원인물질인데 특히 입자가 매우 작은 미세먼지들은 그 특성으로 인체 내부에 깊숙이 침투하여 건강을 위협하고 가스상 오염물질과 반응하여 2차 오염물질을 낼 수 있어 근본적인 제어 기술이 필요하다. 전기전자식 기술 중 유전영동 및 정전기력을 이용한 먼지 제어 기술은 전기적으로 미세먼지와 같은 입자를 부유시켜 제어하는 기술로서 미세부유먼지에 많은 사람들이 노출될 수 있는 다중이용시설 등에 적용될 수 있으며 이를 위해 실내 온도 및 습도, 대상물질의 수분 함량과 같은 주변 조건에 의한 부유먼지의 이동 특성이 함께 고려되어야 한다. 미세 부유먼지를 효과적으로 제어할 수 있는 전기전자식 기술을 이용하여 다중이용시설 뿐 아니라 사무실 및 일반가정 등의 실내 공기질 개선을 위한 핵심기술로 발전할 수 있는 가능성이 높을 것으로 판단된다.