• 제목/요약/키워드: State-Transition Model

검색결과 401건 처리시간 0.035초

DFT방법을 이용한 Bis(μ-oxo)dicopper-enzyme의 수소이동반응 연구 (DFT Calculations for the Hydrogen Transfer Reaction in Bis(μ-oxo)dicopper-enzyme)

  • 박기수;김용호
    • 대한화학회지
    • /
    • 제53권5호
    • /
    • pp.499-504
    • /
    • 2009
  • 금속은 생명현상에 필수적인 효소반응에서 핵심적인 역할을 수행한다. 따라서 금속효소 안에서 일어나는 반응에 대한 구체적인 메커니즘은 많은 과학자의 오랜 관심사였다. Methane MonoOxygenase (MMO)는 메탄을 메탄올로 산화시키는 반응을 일으키는 효소이며 최근 Tolman등은 MMO의 모델로서 Bis(μ-oxo)dicopper Complexes의 Hydroxide Transfer 반응에 대한 몇 가지 가능한 메커니즘을 제시하였다. 이후 Hydrogen Transfer와 Hydroxide Rebound의 2단계로 이루어지는 메커니즘이 이론적으로 제시 되었다. 본 연구에서는 Bis($\mu$-oxo)dicopper Complexes 의 반응단계 중 첫 번째 단계인 Hydrogen Transfer 반응과정의 반응물과 전이상태, 생성물의 구조를 최근에 개발된 M06계열의 M06, M06L, M06-2X를 비롯한 여러 가지 DFT방법을 이용하여 계산하였다. M06/6-31G(d,p)/LANL2DZ방법을 사용하여 계산된 반응물의 구조가 실험에서 얻은 XRD구조와 가장 잘 일치했으며 기저함수의 크기에 따라 전이상태의 구조, 활성화 에너지 및 반응에너지에 큰 차이를 보였다.

Frustration of Rod-Disc Molecule in Reorientation under Vertical Electric Field

  • Jung, Jun-Ho;Ha, Kyung-Su;Chae, Mi-Na;Park, Seul-Ki;Song, Eun-Gyoung;Lee, Myong-Hoon;Jeong, Kwang-Un;Lee, Seung-Hee
    • 한국정보디스플레이학회:학술대회논문집
    • /
    • 한국정보디스플레이학회 2009년도 9th International Meeting on Information Display
    • /
    • pp.610-613
    • /
    • 2009
  • New rod-disc liquid crystal (LC) molecule RD12 (12 is the number of carbon atoms between the rod and disc mesogenic liquid crystals) was synthesized via the chemical attachment of six cyanobiphenly calamitic mesogens linked to the triphenyl discotic mesogen with six alkyl chain linkage. Aligning characteristics associated with homogenous alignment is investigated at first and then field-dependent molecular reorientation under a vertical electric field is studied. Interestingly, they show abnormal slow molecular transition from initiate state (no electric field condition) to certain voltage. In this condition, we observe the molecular competition during reorientation. However, once a tilting direction of disk molecules are defined, the frustration is not observed anymore. The origin of this phenomenon is explained with a suggested model for the first time.

  • PDF

APPLICATIONS OF THE HILBERT-HUANG TRANSFORM ON THE NON-STATIONARY ASTRONOMICAL TIME SERIES

  • HU, CHIN-PING;CHOU, YI;YANG, TING-CHANG;SU, YI-HAO;HSIEH, HUNG-EN;LIN, CHING-PING;CHUANG, PO-SHENG;LIAO, NAI-HUI
    • 천문학논총
    • /
    • 제30권2호
    • /
    • pp.605-607
    • /
    • 2015
  • The development of time-frequency analysis techniques allow astronomers to successfully deal with the non-stationary time series that originate from unstable physical mechanisms. We applied a recently developed time-frequency analysis method, the Hilbert-Huang transform (HHT), to two non-stationary phenomena: the superorbital modulation in the high-mass X-ray binary SMC X-1 and the quasi-periodic oscillation (QPO) of the AGN RE J1034+396. From the analysis of SMC X-1, we obtained a Hilbert spectrum that shows more detailed information in both the time and frequency domains. Then, a phase-resolved analysis of both the spectra and the orbital profiles was presented. From the spectral analysis, we noticed that the iron line production is dominated by different regions of this binary system in different superorbital phases. Furthermore, a pre-eclipse dip lying at orbital phase ~0:6-0:85 was discovered during the superorbital transition state. We further applied the HHT to analyze the QPO of RE J1034+396. From the Hilbert spectrum and the O-C analysis results, we suggest that it is better to divide the evolution of the QPO into three epochs according to their different periodicities. The correlations between the QPO periods and corresponding fluxes were also different in these three epochs. The change in periodicity and the relationships could be interpreted as the change in oscillation mode based on the diskoseismology model.

An Analytical Appraisal of Building Information Modelling (BIM) Guidelines to Identify Variations in the Procedures

  • Das, Dakshata;Moon, Sungkon
    • 한국BIM학회 논문집
    • /
    • 제6권3호
    • /
    • pp.1-14
    • /
    • 2016
  • The usage of Building Information Modelling (BIM) in building projects has enabled improvement in project planning, implementation and collaboration process amongst various stakeholders within architecture, engineering and construction (AEC) industry. However, variations exist in the current practices of BIM implementation and coordination process in the industry. These variations result in inconsistent degree of BIM use across the construction industry. This inconsistency gives rise to several managerial and technological challenges such as data interoperability issues and purposeful integration and exchange of information within the BIM components. In order to tackle the issue, it is essential to analyse the different BIM approaches employed by the industry practitioners. BIM guidelines serve as a critical link between the BIM model, and its subsequent execution. They therefore provide the best reflection of BIM application and processes. This research paper aims to address the variations existing in BIM practices across the construction industry. It includes an extensive study of 21 existing, publicly available BIM-based guidelines in order to establish an understanding of the present state of practice and deduce issues and concerns related to them. All guidelines analysed in this paper are first categorised based on authorship and the release date for efficient comparison. The points of similarity and difference between them are thereby realized and outlined. In addition, the transition of project implementation process from traditional methods to BIM technology is also explained. The existence of inconsistencies in the BIM guidelines reviewed in this paper reflects the need of a BIM 'Code Compliance Check'. The Code Compliance Check will serve as a regulatory project guideline that will further improve the potential of BIM by incorporating a consistent BIM modelling methodology for the entire construction industry.

Performance Analysis of Opportunistic Spectrum Access Protocol for Multi-Channel Cognitive Radio Networks

  • Kim, Kyung Jae;Kwak, Kyung Sup;Choi, Bong Dae
    • Journal of Communications and Networks
    • /
    • 제15권1호
    • /
    • pp.77-86
    • /
    • 2013
  • Cognitive radio (CR) has emerged as one of effective methods to enhance the utilization of existing radio spectrum. Main principle of CR is that secondary users (SUs) are allowed to use the spectrum unused by primary users (PUs) without interfering PU's transmissions. In this paper, PUs operate on a slot-by-slot basis and SUs try to exploit the slots unused by PUs. We propose OSA protocols in the single channel and we propose an opportunistic spectrum access (OSA) protocols in the multi-channel cognitive radio networks with one control channel and several licensed channels where a slot is divided into contention phase and transmission phase. A slot is divided into reporting phase, contention phase and transmission phase. The reporting phase plays a role of finding idle channels unused by PUs and the contention phase plays a role of selecting a SU who will send packets in the data transmission phase. One SU is selected by carrier sense multiple access / collision avoidance (CSMA/CA) with request to send / clear to send (RTS/CTS) mechanism on control channel and the SU is allowed to occupy all remaining part of all idle channels during the current slot. For mathematical analysis, first we deal with the single-channel case and we model the proposed OSA media access control (MAC) protocol by three-dimensional discrete time Markov chain (DTMC) whose one-step transition probability matrix has a special structure so as to apply the censored Markov chain method to obtain the steady state distribution.We obtain the throughput and the distribution of access delay. Next we deal with the multi-channel case and obtain the throughput and the distribution of access delay by using results of single-channel case. In numerical results, our mathematical analysis is verified by simulations and we give numerical results on throughput and access delay of the proposed MAC protocol. Finally, we find the maximum allowable number of SUs satisfying the requirements on throughput and access delay.

Boost Type ZVS-PWM Chopper-Fed DC-DC Power Converter with Load-Side Auxiliary Resonant Snubber and Its Performance Evaluations

  • Ogura, Koki;Chandhaket, Srawouth;Ahmed, Tarek;Nakaoka, Mutsuo
    • KIEE International Transaction on Electrical Machinery and Energy Conversion Systems
    • /
    • 제3B권3호
    • /
    • pp.147-154
    • /
    • 2003
  • This paper presents a high-frequency boost type ZVS-PWM chopper-fed DC-DC power converter with a single active auxiliary edge-resonant snubber at the load stage which can be designed for power conditioners such as solar photovoltaic generation, fuel cell generation, battery and super capacitor energy storages. Its principle operation in steady-state is described in addition to a prototype setup. The experimental results of boost type ZVS-PWM chopper proposed here, are evaluated and verified with a practical design model in terms of its switching voltage and current waveforms, the switching v-i trajectory and the temperature performance of IGBT module, the actual power conversion efficiency, and the EMI of radiated and conducted emissions, and then discussed and compared with the hard switching scheme from an experimental point of view. Finally, this paper proposes a practical method to suppress parasitic oscillation due to the active auxiliary resonant switch at ZCS turn-off mode transition with the aid of an additional lossless clamping diode loop, and can be reduced the EMI conducted emission.

무정형 열가소성 고분자의 자유 라디칼 중합 분자동역학 시뮬레이션 알고리즘 (Free Radical Polymerization Algorithm for a Thermoplastic Polymer Matrix : A Molecular Dynamics Study)

  • 정지원;박찬욱;윤군진
    • Composites Research
    • /
    • 제32권3호
    • /
    • pp.163-169
    • /
    • 2019
  • 본 연구에서 우리는 자유 라디칼 중합에 기반한 열가소성 고분자의 동적 분자동역학 중합 알고리즘을 이용하여 95%의 변환률을 갖는 PMMA의 고분자 모델을 구성하였다. 본 알고리즘에서는 계산 수행에 필요한 시간을 줄이기 위해 PCFF 포텐셜 함수의 결합 항들 TraPPE-UA 포텐셜 함수의 비결합 항을 조합한 united-atom level의 coarse-grained 포텐셜 함수를 도입하였다. 자유 라디칼 중합 시뮬레이션을 통해 생성된 각 사슬을 분석하여 고분자의 분자량 분포와 평균 분자량을 계산하였고, 고분자의 분자량은 초기 상태에 존재하는 개시제 라디칼의 수를 이용하여 조절하였으며, 유리전이온도, 기계적 물성에 미치는 분자량의 효과에 대해 연구되었다.

평판 경계층에 대한 스터드의 난류촉진 영향 연구 (A Study on Turbulence Stimulation Effect of Studs for Boundary Layer Over a Flat Plate)

  • 이준형;정소원;황승현
    • 대한조선학회논문집
    • /
    • 제59권1호
    • /
    • pp.18-28
    • /
    • 2022
  • The turbulence stimulation effect of studs for boundary layer over a flat plate was investigated through the flow measurement in KRISO cavitation tunnel. For the test, Laser Doppler Velocimetry (LDV) and three flat plate models were used: (1) flat plate without studs; (2) flat plate with one stud row; (3) flat plate with two stud rows. The dimension and location of stud rows and the inflow speed were selected considering test conditions for standard-sized model ships in KRISO towing tank. The boundary layer characteristics of test models were analyzed and compared in terms of mean velocity profiles, turbulence intensity profiles, boundary layer thickness, and shape factor. In the case of the flat plate without studs, transition from laminar to turbulent flow occurred around Rex=3.83 ~ 5.19 × 105. In the case of flat plates with stud rows, the flow rapidly changed into turbulent flow right after passing the first stud row. In the state where turbulence was already developed, the second stud row slightly increased the turbulence intensity near the top of the stud, but did not significantly affect the boundary layer characteristics such as mean velocity distribution, boundary layer thickness, and shape factor.

Poloxamer 407 Hydrogels for Intravesical Instillation to Mouse Bladder: Gel-Forming Capacity and Retention Performance

  • Kim, Sang Hyun;Kim, Sung Rae;Yoon, Ho Yub;Chang, In Ho;Whang, Young Mi;Cho, Min Ji;Kim, Myeong Joo;Kim, Soo Yeon;Lee, Sang Jin;Choi, Young Wook
    • 대한비뇨기종양학회지
    • /
    • 제15권3호
    • /
    • pp.178-186
    • /
    • 2017
  • Purpose: Poloxamer 407 (P407) thermo-sensitive hydrogel formulations were developed to enhance the retention time in the urinary bladder after intravesical instillation. Materials and Methods: P407 hydrogels (P407Gels) containing 0.2 w/w% fluorescein isothiocyanate dextran (FD, MW 4 kDa) as a fluorescent probe were prepared by the cold method with different concentrations of the polymer (20, 25, and 30 w/w%). The gel-forming capacities were characterized in terms of gelation temperature (G-Temp), gelation time (G-Time), and gel duration (G-Dur). Homogenous dispersion of the probe throughout the hydrogel was observed by using fluorescence microscopy. The in vitro bladder simulation model was established to evaluate the retention and drug release properties. P407Gels in the solution state were administered to nude mice via urinary instillation, and the in vivo retention behavior of P407Gels was visualized by using an in vivo imaging system (IVIS). Results: P407Gels showed a thermo-reversible phase transition at $4^{\circ}C$ (refrigerated; sol) and $37^{\circ}C$ (body temperature; gel). The G-Temp, G-Time, and G-Dur of FD-free P407Gels were approximately $10^{\circ}C-20^{\circ}C$, 12-30 seconds, and 12-35 hours, respectively, and were not altered by the addition of FD. Fluorescence imaging showed that FD was spread homogenously in the gelled P407 solution. In a bladder simulation model, even after repeated periodic filling-emptying cycles, the hydrogel formulation displayed excellent retention with continuous release of the probe over 8 hours. The FD release from P407Gels and the erosion of the gel, both of which followed zero-order kinetics, had a linear relationship ($r^2=0.988$). IVIS demonstrated that the intravesical retention time of P407Gels was over 4 hours, which was longer than that of the FD solution (<1 hour), even though periodic urination occurred in the mice. Conclusions: FD release from P407Gels was erosion-controlled. P407Gels represent a promising system to enhance intravesical retention with extended drug delivery.

미국의 재생 에너지 확대 및 지원정책 연구 (A Review of U.S. Renewable Energy Expansion and Support Policies)

  • 김철
    • 토지주택연구
    • /
    • 제9권2호
    • /
    • pp.41-50
    • /
    • 2018
  • The purpose of this study is to review the U.S. renewable energy policies implemented by the federal government and the state governments to investigate potential barriers of renewable energy expansion and to develop policy implications for the successful renewable energy policy making in Korea. Recently, the restructuring in the energy supply chain has been being a new trend in many countries that shows a transition from traditional fossil fuels to sustainable renewable energy sources. The United States has enforced effective renewable energy policies (i.e., regulatory policies, financial incentives), which have led to the exploding growth of renewable energy facilities and productions over the last ten years. For example, many state governments in the U.S. are implementing Renewable Portfolio Standard (RPS) policies that require increased energy supply from renewable energy sources (i.e., solar, wind and geothermal). These RPS policies are expected to account for at least 10-50 percent of total electricity production in the next fifteen years. As part of results, in the recent three years, renewable energy in the U.S provided over 50 percent of total new power generation constructions. On the other hand, Korea initiated to develop climate change policies in 2008 for the Green Growth Policy that set up a target reduction of national Greenhouse Gas (GHG) emissions up to 37 percent by 2025. However, statistical data for accumulated renewable energy capacity refer that Korea is still in its early stage that contribute to only 7 percent of the total electricity production capacity and of which hydroelectric power occupied most of the production. Thus, new administration in Korea announced a new renewable energy policy (Renewable Energy 3020 Plan) in 2017 that will require over 95 percent of the total new generations as renewable energy facilities to achieve up to 20 percent of the total electricity production from renewable energy sources by 2030. However, to date, there have not been enough studies to figure out the barriers of the current policy environment and to develop implications about renewable energy policies to support the government plan in Korea. Therefore, this study reviewed the U.S. renewable energy policies compared with Korean policies that could show model cases to introduce related policies and to develop improved incentives to rapidly spread out renewable energy facilities in Korea.