• Title/Summary/Keyword: cell modeling method

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Homology Modeling and Molecular Docking Study of Translationally Controlled Tumor Protein and Artemisinin

  • Chae, Jin-Sun;Choi, In-Hee;Kim, Choon-Mi
    • Archives of Pharmacal Research
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    • v.29 no.1
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    • pp.50-58
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    • 2006
  • Translationally controlled tumor protein (TCTP), also known as histamine releasing factor (HRF), is found abundantly in different eukaryotic cell types. The sequence homology of TCTP between different species is very high, belonging to the MSS4/DSS4 superfamily of proteins. TCTP is involved in both cell growth and human late allergy reaction, as well as having a calcium binding property; however, its primary biological functions remain to be clearly elucidated. In regard to many possible functions, the TCTP of Plasmodium falciparum (Pf) is known to bind with an antimalarial agent, artemisinin, which is activated by heme. It is assumed that the endoperoxide-bridge of artemisinin is opened up by heme to form a free radical, which then eventually alkylates, probably to the Cys14 of PfTCTP. Study of the docking of artemisinin with heme, and subsequently with PfTCTP, was carried out to verify the above hypothesis on the basis of structural interactions. The three dimensional (3D) structure of PfTCTP was built by homology modeling, using the NMR structure of the TCTP of Schizosaccharomyces pombe as a template. The quality of the model was examined based on its secondary structure and biological function, as well as with the use of structure evaluating programs. The interactions between artemisinin, heme and PfTCTP were then studied using the docking program, FlexiDock. The center of the peroxide bond of artemisinin and the Fe of heme were docked within a short distance of $2.6{\AA}$, implying the strong possibility of an interaction between the two molecules, as proposed. When the activated form of artemisinin was docked on the PfTCTP, the C4-radical of the drug faced towards the sulfur of Cys14 within a distance of $2.48{\AA}$, again suggesting the possibility of alkylation having occurred. These results confirm the proposed mechanism of the antimalarial effect of artemisinin, which will provide a reliable method for establishing the mechanism of its biological activity using a molecular modeling study.

Modeling of the defect on the slit in Patterned Vertical Aligned (PVA) LC Cell using the fast Q-tensor method

  • Son, Jung-Hee;Choi, Yong-Hyun;Lee, Wa-Ryong;Choi, Seong-Wook;Kim, Kyung-Mi;Hue, Tae-Kyung;Yang, Jin-Seok;Lee, Seung-Hee;Lee, Gi-Dong
    • 한국정보디스플레이학회:학술대회논문집
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    • 2006.08a
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    • pp.858-861
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    • 2006
  • In this paper we model the liquid crystal director field in the Patterned Vertical Alignment (PVA) LC using the fast Q-tensor method, which can model multidimensional director configurations with defects in the liquid crystal director field. We observed the dynamic behaviors of the defect experimentally by applying the voltage and modeled the LC director field with defect in the active area of the PVA cell. As a result, we could also calculate the optical transmittance.

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A dynamic connection admission control algorithm using variable-sized moving window in ATM networks (가변 크기 Moving Window를 적용한 ATM 망에서의 동적 호 접속 제어 연구)

  • 이수경;송주석
    • The Journal of Korean Institute of Communications and Information Sciences
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    • v.22 no.3
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    • pp.593-603
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    • 1997
  • Connection admission decision in ATM networks requires decision made in real time using fast algorithm. It is difficult to construct a model of the multiplexed traffic and thus, approximation of the traffic load is necessary. In this paper, we propose a measurement-based dynamic CAC(Connection admission Control) in ATM(Asynchronous Transfer Mode) networks, which observes current traffic by the moving window and set the window size to the value which is computed from the measured cell loss amount. It is based on the measurements of the traffic load over an admission period that is load enough to reflect the current traffic behavior instead of analytic modeling. And, the dynamic reallocation of bandwidth for each class leads to effective bandwidth utilization. The performance of proposed method is analyzed through computer simulation. The performance of proposed method is analyzed by using SIMAN simulation package and FORTRAN language. As can be seen in the simulation result, cell loss performance and bandwidth utilization have been increased.

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Prediction of Effective Material Properties for Triaxially Braided Textile Composite

  • Geleta, Tsinuel N.;Woo, Kyeongsik;Lee, Bongho
    • International Journal of Aeronautical and Space Sciences
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    • v.18 no.2
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    • pp.222-235
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    • 2017
  • In this study, finite element modeling was used to predict the material properties of tri-axially braided textile composite. The model was made based on an experimental test specimen which was also used to compare the final results. The full interlacing of tows was geometrically modelled, from which repeating parts that make up the whole braid called unit cells were identified based on the geometric and mechanical property periodicity. In order to simulate the repeating nature of the unit cell, periodic boundary conditions were applied. For validation of the method, a reference model was analyzed for which a very good agreement was obtained. Material property calculation was done by simulating uniaxial and pure shear tests on the unit cell. The comparison of these results with that of experimental test results showed an excellent agreement. Finally, parametric study on the effect of number of plies, stacking type (symmetric/anti-symmetric) and stacking phase shift was conducted.

Interaction fields based on incompatibility tensor in field theory of plasticity-Part II: Application-

  • Hasebe, Tadashi
    • Interaction and multiscale mechanics
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    • v.2 no.1
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    • pp.15-30
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    • 2009
  • The theoretical framework of the interaction fields for multiple scales based on field theory is applied to one-dimensional problem mimicking dislocation substructure sensitive intra-granular inhomogeneity evolution under fatigue of Cu-added steels. Three distinct scale levels corresponding respectively to the orders of (A)dislocation substructures, (B)grain size and (C)grain aggregates are set-up based on FE-RKPM (reproducing kernel particle method) based interpolated strain distribution to obtain the incompatibility term in the interaction field. Comparisons between analytical conditions with and without the interaction, and that among different cell size in the scale A are simulated. The effect of interaction field on the B-scale field evolution is extensively examined. Finer and larger fluctuation is demonstrated to be obtained by taking account of the field interactions. Finer cell size exhibits larger field fluctuation whereas the coarse cell size yields negligible interaction effects.

CFD Simulation Tool for Anode-Supported Flat-Tube Solid Oxide Fuel Cell

  • Youssef M. Elsayed.;Lim, Tak-Hyoung;Song, Rak-Hyun;Lee, Seung-Bok;Shin, Dong-Ryul
    • Journal of the Korean Electrochemical Society
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    • v.9 no.4
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    • pp.151-157
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    • 2006
  • A two-dimensional numerical model to study the performance of anode-supported flat-tube solid oxide fuel cell (SOFC) far the cross section of the cell in the flow direction of the fuel and air flows is developed. In this model a mass and charge balance, Maxwell-Stefan equation as well as the momentum equation by using, Darcy's law are applied in differential form. The finite element method using FEMLAB commercial software is used for meshing, discritization and solving the system of coupled differential equations. The current density distribution and fuel consumption as well as water production are analyzed. Experimental data is used to verify a predicted voltage-current density and power density versus current density to judge on the model accuracy.

Optimization of PEM Fuel Cell System Using a RSM (반응표면기법에 의한 고분자전해질형 연료전지 시스템의 최적화)

  • Xuan, Dongji;Kim, Jin-Wan;Nan, Yanghai;Ning, Qian;Kim, Young-Bae
    • Proceedings of the KSME Conference
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    • 2008.11b
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    • pp.3140-3141
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    • 2008
  • The output power efficiency of the fuel cell system depends on the demanded current, stack temperature, air excess ratio, hydrogen excess ratio and inlet air humidity. Thus, it is necessary to determine the optimal operation condition for maximum power efficiency. In this paper, we developed a dynamic model of fuel cell system which contains mass flow model, diffusivity gas layer model, membrane hydration and electrochemistry model. In order to determine the maximum output power and minimum use of hydrogen in a certain power condition, response surface methodology (RSM) optimization based on the proposed PEMFC stack model is presented. The results provide an effective method to optimize the operation condition under varied situations.

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Continuum Modeling and dynamic Analysis of Platelike Truss Structures (평판형 트러스구조물의 연속체 모델링 및 동적해석)

  • 이우식;김종윤
    • Transactions of the Korean Society of Mechanical Engineers
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    • v.16 no.6
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    • pp.1021-1029
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    • 1992
  • A rational and straightforward method is introduced for developing continuum models of large platelike periodic lattice structures based on energy equivalence. The procedure for developing continuum plate models involves the use of existing well-defined finite element matrices for the easy calculation of strain and kinetic energies of a repeating cell, from which the reduced stiffness and mass matrices are obtained in terms of continuum degrees- of-freedom defined in this paper. The equivalent continuum plate properties are obtained from the direct comparison of the reduced matrices for continuum plate with those for lattice plate. The advantages of the present continuum method are that it may be applied to arbitrary lattice configurations and may give most diverse equivalent continuum plate properties including all kinds of coupling, while other methods may give only limited structural properties. To evaluate the continuum method developed in this paper, free vibration analyses for both of continuum and lattice plates are conducted. Numerical results show that the present continuum method gives very reliable structural and dynamic properties compared to other well-recognized methods.

Estimation of Halftone Cell Information by Analyzing Distribution of Halftone Dots and Refining Location of Their Spectral Peaks (해프톤 도트 분포 분석 및 주파수 피크 위치 정제에 의한 해프톤 셀 정보 추정)

  • 한영미;김민환
    • Journal of Korea Multimedia Society
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    • v.4 no.2
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    • pp.116-129
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    • 2001
  • To improve the performance of the inverse halftoning, smoothing masks should be designed optimally by using the accurate information of halftone cells. In this thesis, the method of energy minimization is so defined as to determine the exact information of halftone cell. A heuristic search method is proposed to obtain efficiently the parameters of halftone cells which determine the minimum energy. A halftone-peak modeling method with several functions is proposed and used to get initial values of the parameters. The dimension decomposition technique is also adopted to speed up the search process of energy minimization. Several experiments show that the proposed method extracts correct location of the seed pixel of the halftone cell and the extracted information of the halftone cell can be used to get more exactly smoothed color images. The proposed method can be applied to extract the texture patterns, to separate channel images of a scanned color halftone image, and to extract the moire area in an image.

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An Ambiguity-free Surface Construction from Volume Data (입체적인 데이터에서 애매성-프리 표면 재구성)

  • Lee, Ee-Taek;Oh, Kwang-Man;Park, Kyu Ho
    • Journal of the Korea Computer Graphics Society
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    • v.4 no.1
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    • pp.55-66
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    • 1998
  • This paper presents a simple method for relieving the ambiguity problems within the sub-voxel based surface-fitting approach for the surface construction. ECB algorithm is proposed to avoid the ambiguity problem which is the root of the holes within the resulting polygon based approximation. The basic idea of our disambiguation strategy is the use of a set of predefined modeling primitives (we call SMP) which guarantees the topological consistency of resulted surface polygons. 20 SMPs are derived from the extension of the concept of the elementary modeling primitives in the CB algorithm [3], and fit one to five faces of them to the iso-surface crossing a cell with no further processing. A look-up table which has a surface triangle list is pre-calculated using these 20 SMPs. All of surface triangles in the table are from the faces of SMPs and are stored in the form of edge list on which vertices of each surface triangle are located. The resulted polygon based approximation is unique at every threshold value and its validity is guaranteed without considering the complicated problems such as average of density and postprocessing. ECB algorithm could be free from the need for the time consuming post-processing, which eliminates holes by revisiting every boundary cell. Through three experiments of surface construction from volume data, its capability of hole avoidance is showed.

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