• Title/Summary/Keyword: domain dynamics

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Molecular Dynamics of the C-Terminal Domain Mouse CDT1 Protein

  • Khayrutdinov, Bulat I.;Bae, Won-Jin;Kim, Jeong-Ju;Hwang, Eun-Ha;Yun, Young-Mi;Ryu, Kyoung-Seok;Cheong, Hae-Kap;Kim, Yu-Gene;Cho, Yun-Je;Jeon, Young-Ho;Cheong, Chae-Joon
    • Journal of the Korean Magnetic Resonance Society
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    • v.11 no.1
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    • pp.30-41
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    • 2007
  • The backbone molecular dynamics of the C-terminal part of the mouse Cdt1 protein (tCdt1, residues 420-557) was studied by high field NMR spectroscopy. The Secondary structure of this protein was suggested by analyzing of chemical shift of backbone atoms with programs TALOS and PECAN, together with NOE connectivities from 3D $^{15}N-HSQC-NOESY$ data. Measurement of dynamic parameters $T_1,\;T_2$ and NOE and limited proteolysis experiment provided information for domain organization of tCdt1(420-557). Analysis of the experimental data showed that the C-terminal part of the tCdt1 has well folded domain for residues 455-553. The residues 420-453 including ${\alpha}-helix$ (432-441) are flexible and probably belong to other functional domain in intact full length Cdt1 protein.

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Socio-National Issues Detection Modeling based on Domain Knowledge - Focusing on the Issue of Increase in Domestic Inflow Infectious Diseases (도메인 지식 기반 이슈 탐지 모델링 - 해외 발생 감염병 국내 유입 이슈를 중심으로)

  • Hwang, Mi-Nyeong;Lee, Seungwoo
    • The Journal of the Korea Contents Association
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    • v.17 no.12
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    • pp.158-168
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    • 2017
  • As the big data technologies advance, there is an increasing interest in systematic methodologies for data-based policy determination especially in the public health area. This study proposes a method to develop an issue detection model through the collaboration with domain experts in order to intelligently detect major socio-national issues on infectious diseases based on data. At first, the factors influencing the 'domestic inflow of foreign infectious diseases' are determined and variables representing the factors are set. Thereafter, by using system dynamics methods, the causal analysis is made to find causal map indicating main influential factors. In this process, an empirical modeling is conducted through collaboration between data analysts and experts in the infectious disease domain. The proposed issue detection approach based on domain knowledges will make it possible to make a decision on policies more efficiently if the detection system is capable of continuos monitoring of the related issues.

Time-domain coupled analysis of curved floating bridge under wind and wave excitations

  • Jin, Chungkuk;Kim, MooHyun;Chung, Woo Chul;Kwon, Do-Soo
    • Ocean Systems Engineering
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    • v.10 no.4
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    • pp.399-414
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    • 2020
  • A floating bridge is an innovative solution for deep-water and long-distance crossing. This paper presents a curved floating bridge's dynamic behaviors under the wind, wave, and current loads. Since the present curved bridge need not have mooring lines, its deep-water application can be more straightforward than conventional straight floating bridges with mooring lines. We solve the coupled interaction among the bridge girders, pontoons, and columns in the time-domain and to consider various load combinations to evaluate each force's contribution to overall dynamic responses. Discrete pontoons are uniformly spaced, and the pontoon's hydrodynamic coefficients and excitation forces are computed in the frequency domain by using the potential-theory-based 3D diffraction/radiation program. In the successive time-domain simulation, the Cummins equation is used for solving the pontoon's dynamics, and the bridge girders and columns are modeled by the beam theory and finite element formulation. Then, all the components are fully coupled to solve the fully-coupled equation of motion. Subsequently, the wet natural frequencies for various bending modes are identified. Then, the time histories and spectra of the girder's dynamic responses are presented and systematically analyzed. The second-order difference-frequency wave force and slowly-varying wind force may significantly affect the girder's lateral responses through resonance if the bridge's lateral bending stiffness is not sufficient. On the other hand, the first-order wave-frequency forces play a crucial role in the vertical responses.

Influence of failed blade-pitch-control system to FOWT by aero-elastic-control-floater-mooring coupled dynamic analysis

  • Bae, Yoon Hyeok;Kim, Moo-Hyun
    • Ocean Systems Engineering
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    • v.3 no.4
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    • pp.295-307
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    • 2013
  • More FOWTs (floating offshore wind turbines) will be installed as relevant regulations and technological hurdles are removed in the coming years. In the present study, a numerical prediction tool has been developed for the fully coupled dynamic analysis of FOWTs in time domain including aero-loading, tower elasticity, blade-rotor dynamics and control, mooring dynamics, and platform motions so that the influence of rotor-control dynamics on the hull-mooring performance and vice versa can be assessed. The developed coupled analysis program is applied to Hywind spar design with 5 MW turbine. In case of spar-type floaters, the control strategy significantly influences the hull and mooring dynamics. If one of the control systems fails, the entire dynamic responses of FOWT can be significantly different. Therefore, it is important to maintain various control systems in a good operational condition. In this regard, the effects of failed blade pitch control system on FOWT performance including structural and dynamic responses of blades, tower, and floater are systematically investigated. Through this study, it is seen that the failure of one of the blade pitch control system can induce significant dynamic loadings on the other blades and the entire FOWT system. The developed technology and numerical tool are readily applicable to any types of floating wind farms in any combinations of irregular waves, dynamic winds, and steady currents.

Multibody Dynamics in Arterial System

  • Shin Sang-Hoon;Park Young-Bae;Rhim Hye-Whon;Yoo Wan-Suk;Park Young-Jae;Park Dae-Hun
    • Journal of Mechanical Science and Technology
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    • v.19 no.spc1
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    • pp.343-349
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    • 2005
  • There are many things in common between hemodynamics in arterial systems and multibody dynamics in mechanical systems. Hemodynamics is concerned with the forces generated by the heart and the resulting motion of blood through the multi-branched vascular system. The conventional hemodynamics model has been intended to show the general behavior of the body arterial system with the frequency domain based linear model. The need for detailed models to analyze the local part like coronary arterial tree and cerebral arterial tree has been required recently. Non-linear analysis techniques are well-developed in multibody dynamics. In this paper, the studies of hemodynamics are summarized from the view of multibody dynamics. Computational algorithms of arterial tree analysis is derived, and proved by experiments on animals. The flow and pressure of each branch are calculated from the measured flow data at the ascending aorta. The simulated results of the carotid artery and the iliac artery show in good accordance with the measured results.

Photo-induced inter-protein interaction changes in the time domain; a blue light sensor protein PixD

  • Terazima, Masahide
    • Rapid Communication in Photoscience
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    • v.4 no.1
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    • pp.1-8
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    • 2015
  • For understanding molecular mechanisms of photochemical reactions, in particular reactions of proteins with biological functions, it is important to elucidate both the initial reactions from the photoexcited states and the series of subsequent chemical reactions, e.g., conformation, intermolecular interactions (hydrogen bonding, hydrophobic interactions), and inter-protein interactions (oligomer formation, dissociation reactions). Although time-resolved detection of such dynamics is essential, these dynamics have been very difficult to track by traditional spectroscopic techniques. Here, relatively new approaches for probing the dynamics of protein photochemical reactions using time-resolved transient grating (TG) are reviewed. By using this method, a variety of spectrally silent dynamics can be detected and such data provide a valuable description about the reaction scheme. Herein, a blue light sensor protein TePixD is the exemplar. The initial photochemistry for TePixD occurs around the chromophore and is detected readily by light absorption, but subsequent reactions are spectrally silent. The TG experiments revealed conformational changes and changes in inter-protein interactions, which are essential for TePixD function. The TG experiments also showed the importance of fluctuations of the intermediates as the driving force of the reaction. This technique is complementary to optical absorption detection methods. The TG signal contains a variety of unique information, which is difficult to obtain by other methods. The advantages and methods for signal analyses are described in detail in this review.

Characterization of Thin Liquid Films Using Molecular Dynamics Simulation

  • Lee, Jaeil;Park, Seungho;Ohmyoung Kwon;Park, Young-Ki;Lee, Joon-Sik
    • Journal of Mechanical Science and Technology
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    • v.16 no.11
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    • pp.1477-1484
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    • 2002
  • Various characteristics of a thin liquid film in its vapor-phase are investigated using the molecular dynamics technique. Local distributions of the temperature, density, normal and tangential pressure components, and stress are calculated for various film thicknesses and temperature levels. Distributions of local stresses change considerably with respect to film thicknesses, and interracial regions on both sides of the film start to overlap with each other as the film becomes thinner. Integration of the local stresses, i.e., the surface tension, however, does not vary much regardless of the interfacial overlap. The minimum thickness of a liquid film before rupturing is estimated with respect to the calculation domain sizes and is compared with a simple theoretical relation.

Dynamics of RNA Bacteriophage MS2 Observed with a Long-Lifetime Metal-Ligand Complex

  • Kang, Jung Sook;Yoon, Ji Hye
    • Journal of Photoscience
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    • v.11 no.1
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    • pp.35-40
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    • 2004
  • [Ru(2,2'-bipyridine)$_2$(4,4'-dicarboxy-2,2'-bipyridine)]$^{2+}$(RuBDc) is a very photostable probe that possesses favorable photophysical properties including long lifetime, high quantum yield, large Stokes' shift, and highly polarized emission. To evaluate the usefulness of this luminophore (RuBDc) for studying macromolecular dynamics, its intensity and anisotropy decays when conjugated to RNA bacteriophage MS2 were examined using frequency-domain fluorometry with a high-intensity, blue light-emitting diode (LED) as the modulated light source. The intensity decays were best fit by a sum of two exponentials, and the mean intensity decay time was 442.2 ns. The anisotropy decay data showed a single rotational correlation time (2334.9 ns), which is typical for a spherical molecule. The use of RuBDc enabled us to measure the rotational correlation time up to several microseconds. These results indicate that RuBDc can be useful for studying rotational diffusion of biological macromolecules.s.

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Analysis of School Autonomy Policy based on the System Thinking (시스템 사고에 의한 학교 자율화 정책 분석)

  • Park, Soo-Jung;Kwon, Soon-Hyoung
    • Korean System Dynamics Review
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    • v.15 no.1
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    • pp.5-27
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    • 2014
  • The purpose of this study is to analyze the school autonomy policy based on the system thinking perspective using causal loop diagrams. School autonomy was the main educational policy concerning school domain during the last government and was the instrument for school-based management, but it was not implemented effectively in site. The school autonomy policy practically disappeared as an explicit policy agenda in the current government. This study displays causal loop diagrams about the policy's logic and contents of school autonomy, in terms of curriculum, human resource management, and a supportive system. The causal loop diagrams depicting the implementation of the school autonomy policy are suggested concerning excessive enforcement and the confirmative mechanism for policy implementation. The conclusion provides some research implications and future directions.

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A Molecular Dynamics Study of the Interaction of Oxygen Molecules with a Water Droplet

  • Ambrosia, Matthew Stanley
    • Journal of Environmental Science International
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    • v.27 no.10
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    • pp.901-906
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    • 2018
  • Water and oxygen are two of the most essential molecules for many species on earth. Their unique properties have been studied in many areas of science. In this study, the interaction of water and oxygen molecules was observed at the nano-scale. Using molecular dynamics, a water droplet with 30,968 water molecules was simulated. Then, 501 oxygen molecules were introduced into the domain. A few oxygen molecules were attracted to the surface of the water droplet due to van der Waals forces, and some oxygen molecules actually entered the water droplet. These interactions were visualized and quantified at four temperatures ranging from 280 to 370 K. It was found that at high temperatures, there was a higher possibility of the oxygen molecules penetrating the water droplet than that at lower temperatures. However, at lower temperatures, oxygen molecules were more likely to be found interacting at the surface of the water droplet than at high temperatures.