• Title/Summary/Keyword: Molecular dynamic

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The Effects of Molecular Weight Distribution on the Rheological Behavior of PVA/DMSO Solution Systems (PVA/DMSO 용액계의 유변학적 특성에 미치는 PVA의 분자량분포의 영향)

  • Lee, Eun-Jeoung;Kim, Byoung-Chul
    • Polymer(Korea)
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    • v.31 no.6
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    • pp.532-537
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    • 2007
  • The rheological properties of the solutions of atactic poly(vinyl alcohol)(PVA) in dimethyl sulfoxide (DMSO) were investigated in terms of molecular weight distribution (MWD) of the polymer. The dynamic viscosity (${\eta}#$) and loss modulus (G") for the PVA/DMSO solutions with broader MWD were lower than those with narrower MWD at the similar $M_w$. It could be explained by the fact that the free volume for the solution with broader MWD at the similar $M_w$ was increased. The storage modulus(G#) of 14 wt% PVA/DMSO solutions with broader MWD was higher than that with narrower MWD at a lower frequency than 1.3 rad/sec, but lower than that with narrower MWD at a higher frequency (>1.3 rad/sec). The slopes of modified Cole-Cole plots of the 14 wt% solutions showed that as the MWD was broadened, the phase transition with frequency was more noticeable.

Synthesis of Highly Selective Polyimide Material and Comparison of Gas Permeability by Molecular Dynamics Study (고선택성 폴리이미드 소재의 합성 및 분자동력학 연구를 통한 기체투과도의 비교)

  • Lee, Jung Moo;Kim, Deuk Ju;Jeong, Moon Ki;Lee, Myung Gun;Park, Chi Hoon;Nam, Sang Yong
    • Membrane Journal
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    • v.25 no.2
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    • pp.162-170
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    • 2015
  • In this study, gas permeability of polyimide materials having a various amine group was measured and molecular dynamics was used to analyze the dynamic characteristics of the gas molecules in the polyimide by calculating the position and velocity of the gas molecules with change of the time. The gas permeability of polyimide membrane having substitution site which increase free volume in the polymer was increased. However, polyimide with rigid structure showed decreased gas permeability. As a result of analyzing the change in the gas permeation behavior using molecular dynamics simulations, we confirmed that the results show the same tendency with actual measurements of the gas permeability.

Hydrophobisity Recovery of PDMS Blended with Fluorinated Silicone Rubber Using Dynamic Contact Angle Measurement (동적 접촉각 측정을 이용한 실리콘고무 블렌드의 발수성회복 검토)

  • Lee, C.R.;Ryu, S.S.;Homma, H.;Izumi, K.
    • Proceedings of the KIEE Conference
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    • 2001.11a
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    • pp.6-8
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    • 2001
  • This report describes the effect of the blending of poly(trifluoropropylmethylvinylsiloxane) (PTFPMVS) with poly(dimethylsiloxane) (PDMS) on the surface properties such as water repellency using dynamic contact angle (DCA) measurement. We have investigated the surface molecular mobility of the PDMS/PTFPMVS blends via a DCA measurement and an adhesion tension relaxation. It could be shown that a flexible side-chain segment in PTFPMVS having higher surface energy, could be reoriented easily in water to decrease the interfacial tension of the polymer/water interface, which seems to play a major role at the decrease of the receding contact angle and the surface resistivity of PDMS/PTFPMVS blends.

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Numerical Simulation for the Aggregation of Charged Particles (하전입자의 응집성장에 대한 수치적 연구)

  • Park, Hyung-Ho;Kim, Sang-Soo;Chang, Hyuk-Sang
    • Proceedings of the KSME Conference
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    • 2001.06d
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    • pp.605-611
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    • 2001
  • 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 morphological shape of aggregates was described in terms of the fractal dimension. 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.

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Dynamics of ARF regulation that control senescence and cancer

  • Ko, Aram;Han, Su Yeon;Song, Jaewhan
    • BMB Reports
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    • v.49 no.11
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    • pp.598-606
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    • 2016
  • ARF is an alternative reading frame product of the INK4a/ARF locus, inactivated in numerous human cancers. ARF is a key regulator of cellular senescence, an irreversible cell growth arrest that suppresses tumor cell growth. It functions by sequestering MDM2 (a p53 E3 ligase) in the nucleolus, thus activating p53. Besides MDM2, ARF has numerous other interacting partners that induce either cellular senescence or apoptosis in a p53-independent manner. This further complicates the dynamics of the ARF network. Expression of ARF is frequently disrupted in human cancers, mainly due to epigenetic and transcriptional regulation. Vigorous studies on various transcription factors that either positively or negatively regulate ARF transcription have been carried out. However, recent focus on posttranslational modifications, particularly ubiquitination, indicates wider dynamic controls of ARF than previously known. In this review, we discuss the role and dynamic regulation of ARF in senescence and cancer.

Optimal control of continuous system using genetic algorithms (유전 알고리듬을 이용한 연속 공정의 최적 제어)

  • Lee, Moo-Ho;Han, Chonghun;Chang, Kun-Soo
    • Journal of Institute of Control, Robotics and Systems
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    • v.3 no.1
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    • pp.46-51
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    • 1997
  • The optimal control of a continuous process has been performed using genetic algorithms(GAs). GAs are robust and easily applicable for complex and highly nonlinear problems. We introduce the heuristics 'dynamic range' which reduces the search space dramaticaly keeping the robust search of GAs. GAs with dynamic range show the better performance than SQP(Successive Quadratic Programing) method which converges to a local minimum. The proposed methology has been applied to the optimal control of the continuous MMA-VA copolymerization reactor for the production of the desired molecular wieght and the composition of VA in dead copolymer.

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Studying immune system using imaging and microfabrication (생체영상과 미세가공을 이용한 면역 시스템 연구)

  • Doh, Jun-Sang
    • Proceedings of the KSME Conference
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    • 2008.11a
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    • pp.1446-1449
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    • 2008
  • Immune system is composed of multiple cells with distinct functions, and immune responses are orchestrated by complex and dynamic cell-cell interactions. Therefore, each cell behavior and function should be understood under right spatio-temporal context. Studying such complexity and dynamics has been challenging with conventional biological tools. Recent development of new technologies such as state of art imaging instruments and microfabrication techniques compatible with biological systems have provided many exciting opportunities to dissect complex and dynamic immune cell interactions; new microscopy techniques enable us to observe stunning dynamics of immune system in real time. Microfabrication permits us to manipulate microenvironments governing molecular/cellular dynamics of immune cells to study detailed mechanisms of phenomena observed by microscopy. Also, microfabrication can be used to engineer microenvironments optimal for specific imaging techniques. In this presentation, I am going to present an example of how these two techniques can be combined to tackle challenging problems in immunology. Obviously, this strategy can readily be applied to many different fields of biology other than immunology.

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Simulation of Liquid Crystals Considering Flow Effect (흐름효과를 고려한 액정의 시뮬레이션)

  • Kim Hoon;Park Woo-Sang
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.19 no.3
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    • pp.260-266
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    • 2006
  • In this paper, We coupled fluid balance and director balance equation from Ericksen-Leslie's continuum theory and observed the motion of Liquid Crystal molecular. We simulated flow velocity and director distribution in which flow effect is considered in switching on and switching off state. We interpreted the dynamic response characteristic caused by the flow. As the result of the simulation, We could see the flow effect. In the case of Twisted Nematic(TN) cell, this flow caused abnormal twist temporarily in switching off state. We could prove that this abnormal twist is a direct cause of optical bounce phenomenon known well until now with the result of simulation. In addition, We analyzed the mechanism of the fast response due to flow in the case of Optically Compensated Bend(OCB) cell.

Carboxylated Nitrile Elastomer/Filler Nanocomposite: Effect of Silica Nanofiller in Thermal, Dynamic Mechanical Behavior, and Interfacial Adhesion

  • Mahaling R. N.;Jana G. K.;Das C. K.;Jeong, H.;Ha C. S.
    • Macromolecular Research
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    • v.13 no.4
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    • pp.306-313
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    • 2005
  • Surface modified nanofillers are often used as curative-cum reinforcing agents for functional polymers. The polymer nanofiller interaction depends on the curative systems used. In the present study the carboxylic group of the carboxylated nitrile elastomer participated in the reaction with Zn-ion coated nanosilica filler producing a type of ionomeric elastomer. The interaction at the molecular level thus produced a high modulus vulcanizate. In this case, the S and MBT system, as curative, had an edge over the MDA and DPG curative system. Interfacial adhesion was enhanced in the presence of Zn-ion-coated nanosilica filler associated with dynamic mechanical behavior. The inferior properties obtained in the case of the MDA and DPG curative system were due to the decreased reactivity of the silica surface, thus reducing interfacial adhesion.