• Title/Summary/Keyword: secondary structure modeling.

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A Modeling Study of Co-transcriptional Metabolism of hnRNP Using FMR1 Gene

  • Ro-Choi, Tae Suk;Choi, Yong Chun
    • Molecules and Cells
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    • v.23 no.2
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    • pp.228-238
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    • 2007
  • Since molecular structure of hnRNP is not available in foreseeable future, it is best to construct a working model for hnRNP structure. A geometric problem, assembly of $700{\pm}20$ nucleotides with 48 proteins, is visualized by a frame work in which all the proteins participate in primary binding, followed by secondary, tertiary and quaternary binding with neighboring proteins without additional import. Thus, 40S hnRNP contains crown-like secondary structure (48 stemloops) and appearance of 6 petal (octamers) rose-like architectures. The proteins are wrapped by RNA. Co-transcriptional folding for RNP fibril of FMR1 gene can produce 2,571 stem-loops with frequency of 1 stem-loop/15.3 nucleotides and 53 40S hnRNP beaded structure. By spliceosome driven reactions, there occurs removal of 16 separate lariated RNPs, joining 17 separate beaded exonic structures and anchoring EJC on each exon junction. Skipping exon 12 has 5'GU, 3'AG and very compact folding pattern with frequency of 1 stem-loop per 12 nucleotides in short exon length (63 nucleotides). 5' end of exon 12 contains SS (Splicing Silencer) element of UAGGU. In exons 10, 15 and 17 where both regular and alternative splice sites exist, SS (hnRNP A1 binding site) is observed at the regular splicing site. End products are mature FMR-1 mRNP, 4 species of Pri-microRNAs derived from introns 7,9,15 and 3'UTR of exon17, respectively. There may also be some other regulatory RNAs containing ALU/Line elements as well.

Numerical Study of Three-Dimensional Compressible Flow Structure Within an S-Duct for Aircraft Engine Inlet

  • Cho, Soo-Yong;Park, Byung-Kyu
    • International Journal of Aeronautical and Space Sciences
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    • v.1 no.1
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    • pp.36-47
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    • 2000
  • Three-dimensional compressible turbulent flow fields within the passage of a diffusing S-duct have been simulated by solving the Navier-Stokes equations with SIMPLE scheme. The average inlet Mach number is 0.6 and the Reynolds number based on the inlet diameter is $1.76{\times}10^6$ The extended $k-{\varepsilon}$ turbulence model is applied to modeling the Reynolds stresses. Computed results of the flow in a circular diffusing S-duct provide an understanding of the flow structure within a typical engine inlet system. These are compared with experimental wall static-pressure, total-pressure fields, and secondary velocity profiles. Additionally, boundary layer thickness, skin friction values, and streamlines in the symmetric plane are presented. The computed results depict the interaction between the low energy flow by the flow separation and the high energy flow by the reversed duct curvature. The computed results obtained using the extended $k-{\varepsilon}$ turbulence model.

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Homology Modeling and Docking Studies of Streptomyces peucetius CYP147F1 as Limonene Hydroxylase

  • Bhattarai, Saurabh;Liou, Kwangkyoung;Oh, Tae-Jin
    • Journal of Microbiology and Biotechnology
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    • v.22 no.7
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    • pp.917-922
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    • 2012
  • Homology modeling of Streptomyces peucetius CYP147F1 was constructed using three cytochrome P450 structures, CYP107L1, CYPVdh, and CYPeryF, as templates. The lowest energy SPCYP147F1 model was then assessed for stereochemical quality and side-chain environment by Accelrys Discovery Studio 3.1 software. Further activesite optimization of the SPCYP147F1 was performed by molecular dynamics to generate the final SPCYP147F1 model. The substrate limonene was then docked into the model. The model-limonene complex was used to validate the active-site architecture, and functionally important residues within the substrate recognition site were identified by subsequent characterization of the secondary structure. The docking of limonene suggested that SPCYP147F1 would have broad specificity with the ligand based on the two different orientations of limonene within the active site facing to the heme. Limonene with C7 facing the heme with distance of $3.4{\AA}$ from the Fe was predominant.

Multi-objective optimization design for the multi-bubble pressure cabin in BWB underwater glider

  • He, Yanru;Song, Baowei;Dong, Huachao
    • International Journal of Naval Architecture and Ocean Engineering
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    • v.10 no.4
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    • pp.439-449
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    • 2018
  • In this paper, multi-objective optimization of a multi-bubble pressure cabin in the underwater glider with Blended-Wing-Body (BWB) is carried out using Kriging and the Non-dominated Sorting Genetic Algorithm (NSGA-II). Two objective functions are considered: buoyancy-weight ratio and internal volume. Multi-bubble pressure cabin has a strong compressive capacity, and makes full use of the fuselage space. Parametric modeling of the multi-bubble pressure cabin structure is automatic generated using UG secondary development. Finite Element Analysis (FEA) is employed to study the structural performance using the commercial software ANSYS. The weight of the primary structure is determined from the volume of the Finite Element Structure (FES). The stress limit is taken into account as the constraint condition. Finally, Technique for Ordering Preferences by Similarity to Ideal Solution (TOPSIS) method is used to find some trade-off optimum design points from all non-dominated optimum design points represented by the Pareto fronts. The best solution is compared with the initial design results to prove the efficiency and applicability of this optimization method.

Critical earthquake loads for SDOF inelastic structures considering evolution of seismic waves

  • Moustafa, Abbas;Ueno, Kohei;Takewaki, Izuru
    • Earthquakes and Structures
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    • v.1 no.2
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    • pp.147-162
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    • 2010
  • The ground acceleration measured at a point on the earth's surface is composed of several waves that have different phase velocities, arrival times, amplitudes, and frequency contents. For instance, body waves contain primary and secondary waves that have high frequency content and reach the site first. Surface waves are composed of Rayleigh and Love waves that have lower phase velocity, lower frequency content and reach the site next. Some of these waves could be of more damage to the structure depending on their frequency content and associated amplitude. This paper models critical earthquake loads for single-degree-of-freedom (SDOF) inelastic structures considering evolution of the seismic waves in time and frequency. The ground acceleration is represented as combination of seismic waves with different characteristics. Each seismic wave represents the energy of the ground motion in certain frequency band and time interval. The amplitudes and phase angles of these waves are optimized to produce the highest damage in the structure subject to explicit constraints on the energy and the peak ground acceleration and implicit constraints on the frequency content and the arrival time of the seismic waves. The material nonlinearity is modeled using bilinear inelastic law. The study explores also the influence of the properties of the seismic waves on the energy demand and damage state of the structure. Numerical illustrations on modeling critical earthquake excitations for one-storey inelastic frame structures are provided.

Modeling of CNTs and CNT-Matrix Interfaces in Continuum-Based Simulations for Composite Design

  • Lee, Sang-Hun;Shin, Kee-Sam;Lee, Woong
    • Korean Journal of Materials Research
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    • v.20 no.9
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    • pp.478-482
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    • 2010
  • A series of molecular dynamic (MD), finite element (FE) and ab initio simulations are carried out to establish suitable modeling schemes for the continuum-based analysis of aluminum matrix nanocomposites reinforced with carbon nanotubes (CNTs). From a comparison of the MD with FE models and inferences based on bond structures and electron distributions, we propose that the effective thickness of a CNT wall for its continuum representation should be related to the graphitic inter-planar spacing of 3.4${\AA}$. We also show that shell element representation of a CNT structure in the FE models properly simulated the carbon-carbon covalent bonding and long-range interactions in terms of the load-displacement behaviors. Estimation of the effective interfacial elastic properties by ab initio simulations showed that the in-plane interfacial bond strength is negligibly weaker than the normal counterpart due to the nature of the weak secondary bonding at the CNT-Al interface. Therefore, we suggest that a third-phase solid element representation of the CNT-Al interface in nanocomposites is not physically meaningful and that spring or bar element representation of the weak interfacial bonding would be more appropriate as in the cases of polymer matrix counterparts. The possibility of treating the interface as a simply contacted phase boundary is also discussed.

A Study on Changing Process of Nonlinear Expression Methods appeared in Frank Gehry's works according to Digital Archhitecture's introduction (디지털 건축의 도입에 따른 프랭크 게리의 작품에서 나타나는 비선형적 표현 기법의 변화 과정에 관한 연구)

  • Lee, Heang-Woo;Seo, Jang-Hoo;Kim, Yong-Seong
    • Journal of The Korean Digital Architecture Interior Association
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    • v.13 no.4
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    • pp.5-12
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    • 2013
  • Conceptual and technical design designated as digital architecture has been discussed with disorderly meaning as a conception only. Thus, this study aims at verification of development possibility for the digital architecture by analyzing how works of Frank Gehry have effect on nonlinearity of the digital architecture. Nonlinear characteristics appeared on works of Frank Gehry analyzed on the basis of expression techniques and modeling principle are as follows: 1) Initial works show a trend to gradually change and develop from horizontal and vertical linear structure to nonlinear pattern. 2) From a nonlinear modeling principle, initial works appear the primary deformation elements only, while afterwards, they are gradually developing to a pattern to mix the primary and secondary deformation elements as introduction of digital architecture. 3) Through specific cases, Frank Gehry has conducted attempts with various method for nonlinear pattern expression. 4) From the initial works to the latest works, continuity becomes higher and changed to nonlinear pattern. This study is significant from a viewpoint that it has verified development possibility of digital architecture by analyzing nonlinear trend of digital architecture for Frank Gehry and it is required to conduct multilateral researches related to the digital architecture.

A Study of the Three Port NPC based DAB Converter for the Bipolar DC Grid (양극성 직류 배전망에 적용 가능한 3포트 NPC 기반의 DAB 컨버터에 대한 연구)

  • Yun, Hyeok-Jin;Kim, Myoungho;Baek, Ju-Won;Kim, Ju-Yong;Kim, Hee-Je
    • The Transactions of the Korean Institute of Power Electronics
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    • v.22 no.4
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    • pp.336-344
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    • 2017
  • This paper presents the three-port DC-DC converter modeling and controller design procedure, which is part of the solid-state transformer (SST) to interface medium voltage AC grid to bipolar DC distribution network. Due to the high primary side DC link voltage, the proposed converter employs the three-level neutral point clamped (NPC) topology at the primary side and 2-two level half bridge circuits for each DC distribution network. For the proposed converter particular structure, this paper conducts modeling the three winding transformer and the power transfer between each port. A decoupling method is adopted to simplify the power transfer model. The voltage controller design procedure is presented. In addition, the output current sharing controller is employed for current balancing between the parallel-connected secondary output ports. The proposed circuit and controller performance are verified by experimental results using a 30 kW prototype SST system.

Auto-parametric resonance of framed structures under periodic excitations

  • Li, Yuchun;Gou, Hongliang;Zhang, Long;Chang, Chenyu
    • Structural Engineering and Mechanics
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    • v.61 no.4
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    • pp.497-510
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    • 2017
  • A framed structure may be composed of two sub-structures, which are linked by a hinged joint. One sub-structure is the primary system and the other is the secondary system. The primary system, which is subjected to the periodic external load, can give rise to an auto-parametric resonance of the second system. Considering the geometric-stiffness effect produced by the axially internal force, the element equation of motion is derived by the extended Hamilton's principle. The element equations are then assembled into the global non-homogeneous Mathieu-Hill equations. The Newmark's method is introduced to solve the time-history responses of the non-homogeneous Mathieu-Hill equations. The energy-growth exponent/coefficient (EGE/EGC) and a finite-time Lyapunov exponent (FLE) are proposed for determining the auto-parametric instability boundaries of the structural system. The auto-parametric instabilities are numerically analyzed for the two frames. The influence of relative stiffness between the primary and secondary systems on the auto-parametric instability boundaries is investigated. A phenomenon of the "auto-parametric internal resonance" (the auto-parametric resonance of the second system induced by a normal resonance of the primary system) is predicted through the two numerical examples. The risk of auto-parametric internal resonance is emphasized. An auto-parametric resonance experiment of a ${\Gamma}$-shaped frame is conducted for verifying the theoretical predictions and present calculation method.

Resisting capacity of Korean traditional wooden structural systems subjected to static loading

  • Hwang, Jong-Kook;Kwak, Samuel;Kwak, Ji-Hyun
    • Structural Engineering and Mechanics
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    • v.30 no.3
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    • pp.297-316
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    • 2008
  • This paper investigates the structural behavior of Korean traditional wooden structures on the basis of the structural analysis using the commercialized program, SAP 2000. All the structural systems were analyzed, and the rotational stiffness at each joint was inferred from the experimental result for a half scale model of Bongjeong-sa (a temple in South Korea). In addition, the artificial control of analysis parameters was prevented because the structural analysis was focused on the realization of the most exact structural behavior of real structures. The analysis was carried out for the horizontal and vertical static loads, and all the secondary members were excluded in the structural analysis. The obtained results show that the resisting capacity of the primary structural system is greater than that of the expanding structural system.