• 제목/요약/키워드: interaction matrix method

검색결과 186건 처리시간 0.029초

A Statistical Thermodynamic Study on the Conformational Transition of Oligopeptide Multimer

  • 김용구;박형석
    • Bulletin of the Korean Chemical Society
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    • 제17권2호
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    • pp.131-138
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    • 1996
  • The conformational transition of oligopeptide multimer,-(HPPHPPP)n-, is studied (H:hydrophobic amino acid, P:hydrophilic amino acid). The helix/coil transitions are detected in the multimer. The transition depends on the number of amino acid in the sequence, the concentration of the oligopeptide, and temperature which affects helix stability constant (${\xi}$) and hydrophobic interaction parameter (wj). In the thermodynamic equilibrium system jA${\rightarrow}$Aj (where A stands for oligopeptide monomer), Skolnick et al., explained helix/coil transition of dimer by the matrix method using Zimm-Bragg parameters ${\xi}$ and $\sigma$ (helix initiation constant). But the matrix method do not fully explain dangling H-bond effects which are important in oligopeptide systems. In this study we propose a general theory of conformational transitions of oligopeptides in which dimer, trimer, or higher multimer coexists. The partition of trimer is derived by using zipper model which account for dangling H-bond effects. The transitions of multimers which have cross-linked S-S bonds or long chains do not occur, because they keep always helical structures. The transitions due to the concentration of the oligopeptides are steeper than those due to the chain length or temperature.

Implementation Strategy for the Numerical Efficiency Improvement of the Multiscale Interpolation Wavelet-Galerkin Method

  • Seo Jeong Hun;Earmme Taemin;Jang Gang-Won;Kim Yoon Young
    • Journal of Mechanical Science and Technology
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    • 제20권1호
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    • pp.110-124
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    • 2006
  • The multi scale wavelet-Galerkin method implemented in an adaptive manner has an advantage of obtaining accurate solutions with a substantially reduced number of interpolation points. The method is becoming popular, but its numerical efficiency still needs improvement. The objectives of this investigation are to present a new numerical scheme to improve the performance of the multi scale adaptive wavelet-Galerkin method and to give detailed implementation procedure. Specifically, the subdomain technique suitable for multiscale methods is developed and implemented. When the standard wavelet-Galerkin method is implemented without domain subdivision, the interaction between very long scale wavelets and very short scale wavelets leads to a poorly-sparse system matrix, which considerably worsens numerical efficiency for large-sized problems. The performance of the developed strategy is checked in terms of numerical costs such as the CPU time and memory size. Since the detailed implementation procedure including preprocessing and stiffness matrix construction is given, researchers having experiences in standard finite element implementation may be able to extend the multi scale method further or utilize some features of the multiscale method in their own applications.

직사각형 단면을 갖는 유체 저장 구조물의 거동에 관한 연구 (A Study on Behavior of Rectangular Liquid Storage Structures)

  • 박장호
    • 한국안전학회지
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    • 제18권1호
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    • pp.101-107
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    • 2003
  • Dynamic behavior of flexible rectangular liquid storage structures is analysed by the developed method. The rectangular liquid storage structures are assumed to be fixed to the ground and a moving coordinate system is used. The irrotational motion of invicid and incompressible ideal fluid is represented by two analytic solutions. One is the solution of the fluid motion in the rigid rectangular liquid storage structure due to ground motions and the other is the solution of the fluid motion by the motion of the wall in the flexible rectangular liquid storage structure. The motion of structure is modeled by finite elements. The fluid-structure interaction effect is reflected into the coupled equation of motion as added fluid mass matrix. The free surface sloshing motion and hydrodynamic pressure acting on the wall in the flexible rectangular liquid storage structure due to the horizontal ground motion are obtained by the developed method and verified.

목표물의 거리 및 특징점 불확실성 추정을 통한 매니퓰레이터의 영상기반 비주얼 서보잉 (Image-based Visual Servoing Through Range and Feature Point Uncertainty Estimation of a Target for a Manipulator)

  • 이상협;정성찬;홍영대;좌동경
    • 제어로봇시스템학회논문지
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    • 제22권6호
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    • pp.403-410
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    • 2016
  • This paper proposes a robust image-based visual servoing scheme using a nonlinear observer for a monocular eye-in-hand manipulator. The proposed control method is divided into a range estimation phase and a target-tracking phase. In the range estimation phase, the range from the camera to the target is estimated under the non-moving target condition to solve the uncertainty of an interaction matrix. Then, in the target-tracking phase, the feature point uncertainty caused by the unknown motion of the target is estimated and feature point errors converge sufficiently near to zero through compensation for the feature point uncertainty.

불규칙한 다층 물성을 가지는 지반의 지진 응답 해석 (Earthquake Response Analysis considering Irregular Soil Layers)

  • 박장호;박재균
    • 한국지진공학회논문집
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    • 제9권6호
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    • pp.67-73
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    • 2005
  • 엄밀한 지반-구조물 상호작용 해석을 위해서는 지반에 대한 묘사가 적절히 이루어져야 한다. 그러나 물성이 불연속적이거나 지층의 모양이 복잡할 때에는 유한요소망을 구성하는 것이 어려운데, 그 이유는 유한요소망이 지층의 모양을 정확히 나타내어야하기 때문이다. 이러한 어려움을 극복하기 위하여 본 연구에서는 지층의 불연속선을 따라 요소를 재배열하지 않고 엄밀하게 수치적분이 가능한 방법을 채용하였다. 그 결과로 정렬된 요소망을 그대로 이용하게 되어 강성행렬의 성질이 좋아지며, 해석 또한 신뢰성이 높아지게 되었다. 이 해석 방법을 이용하여 지진응답에 미지는 지층의 영향을 조사하였으며, 결과적으로 복잡하고 불연속적인 물성을 가지는 지층으로 이루어진 지반과 구조물의 상호작용을 해석하는 데에 쉽게 이용 될 수 있음을 보였다.

전달함수와 진동응답 측정에 의한 원심펌프에서의 유체력 특성에 관한 연구 (A Study on the Hydraulic Excitation Forces Using Transfer Function and Operational Measured Data for the Centrifugal Pump)

  • 최복록;박진무;김광은
    • 대한기계학회논문집A
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    • 제24권8호
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    • pp.1931-1939
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    • 2000
  • Operating excitation forces of the linear vibratory system are normally determined by direct measurement techniques using load cells, strain gauges, etc. But, hydraulic forces of the rotating turbomachinery such as centrifugal pumps are exerted on an impeller due to asymmety of the flow by the interaction between pump impeller and volute. So, investigations of wide range of hydraulic designs and geometric deviations are difficult by direct method. This paper presents a hybrid approach for fourier transformed operational excitation forces, which uses pseudo-inverse matrix of the transfer matrix for the system and the measured vibrational data with standard installed pump. The determination of the transfer function matrix is based on a linear rotor/stationary system and steady state harmonic response in finite element analysis. And, vibrational data is collected in both vertical and horizontal directions at inboard and outboard bearing housings. The results of the process may be enhanced by making acceleration measurements at many more locations than there are forces to be determined.

Headspace 법을 사용한 유기농업자재 중 잔류 유기용매 분석 (Analysis of Residual Organic Solvent in Environmentally-friendly Farming Materials with Headspace Method)

  • 최근형;공승헌;박병준;문병철;김진효
    • 농약과학회지
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    • 제20권2호
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    • pp.128-132
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    • 2016
  • 본 연구에서는 유기농업자재 중 잔류 휘발성 유기용매의 정성 및 정량분석을 위해 Headspace-GC 분석법을 matrix 조성을 달리하여 검출능을 중심으로 시험하였다. Headspace sampler내 흡습제처리 혹은 DMSO molar ratio를 증가시키는 방법을 통해 친수성기를 갖는 유기용매의 분석능이 최대 715% 향상되었으며, 특히 농자재의 보조제로 많이 사용되는 계면활성제의 경우 시료 중 농도가 계면활성제의 종류보다 유기용매 분석능에 미치는 영향이 큰 것을 확인할 수 있었다(68.5-179.1%). 특히 병해충 관리용 유기농업자재의 보조성분 및 함량이 정확히 공개되지 않은 상황에서 유기용매의 함량 정량분석을 위해서는 각각의 분석시료마다 matrix-matched calibration을 통한 정량 분석으로의 접근이 검토되어야 할 것으로 판단된다.

Grid-based Gaussian process models for longitudinal genetic data

  • Chung, Wonil
    • Communications for Statistical Applications and Methods
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    • 제29권1호
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    • pp.65-83
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    • 2022
  • Although various statistical methods have been developed to map time-dependent genetic factors, most identified genetic variants can explain only a small portion of the estimated genetic variation in longitudinal traits. Gene-gene and gene-time/environment interactions are known to be important putative sources of the missing heritability. However, mapping epistatic gene-gene interactions is extremely difficult due to the very large parameter spaces for models containing such interactions. In this paper, we develop a Gaussian process (GP) based nonparametric Bayesian variable selection method for longitudinal data. It maps multiple genetic markers without restricting to pairwise interactions. Rather than modeling each main and interaction term explicitly, the GP model measures the importance of each marker, regardless of whether it is mostly due to a main effect or some interaction effect(s), via an unspecified function. To improve the flexibility of the GP model, we propose a novel grid-based method for the within-subject dependence structure. The proposed method can accurately approximate complex covariance structures. The dimension of the covariance matrix depends only on the number of fixed grid points although each subject may have different numbers of measurements at different time points. The deviance information criterion (DIC) and the Bayesian predictive information criterion (BPIC) are proposed for selecting an optimal number of grid points. To efficiently draw posterior samples, we combine a hybrid Monte Carlo method with a partially collapsed Gibbs (PCG) sampler. We apply the proposed GP model to a mouse dataset on age-related body weight.

MO Theoretical Studies on Diels-Alder Reactions of $\alpha$-Allenic Ketones$^*$

  • Han, Eun-Sook;Lee, Ik-choon;Chang Byung-Doo
    • Bulletin of the Korean Chemical Society
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    • 제4권5호
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    • pp.197-200
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    • 1983
  • The Diels-Alder cycloaddition reactions between dienes and allenic ketones were studied theoretically using CNDO/2 method. It was found that the reaction is a neutral electron demand type with matrix element control and the reactivity, the regio- and stereo-selectivities can be correctly predicted based on interaction energies calculated with the 4-center FMO formalism.

Modal analysis of cracked cantilever composite beams

  • Kisa, Murat;Arif Gurel, M.
    • Structural Engineering and Mechanics
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    • 제20권2호
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    • pp.143-160
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    • 2005
  • Modal analysis of cracked cantilever composite beams, made of graphite-fibre reinforced polyamide, is studied. By using the finite element and component mode synthesis methods, a numeric model applicable to investigate the vibration of cracked composite beams is developed. In this new approach, from the crack section, the composite beam separated into two parts coupled by a flexibility matrix taking into account the interaction forces. These forces are derived from the fracture mechanics theory as the inverse of the compliance matrix calculated with the proper stress intensity factors and strain energy release rate expressions. Numerical results are obtained for modal analysis of composite beams with a transverse non-propagating open crack, addressing the effects of the location and depth of the crack, and the volume fraction and orientation of the fibre on the natural frequencies and mode shapes. By means of modal data, the position and dimension of the defect can be found. The results of the study confirmed that presented method is suitable for the vibration analysis of cracked cantilever composite beams. Present technique can be easily extended to composite plates and shells.