• 제목/요약/키워드: decomposition series

검색결과 254건 처리시간 0.033초

The Molecular Modeling of Novel Inhibitors of Protein Tyrosine Phosphatase 1B Based on Catechol by MD and MM-GB (PB)/SA Calculations

  • Kocakaya, Safak Ozhan
    • Bulletin of the Korean Chemical Society
    • /
    • 제35권6호
    • /
    • pp.1769-1776
    • /
    • 2014
  • Binding modes of a series of catechol derivatives such as protein tyrosine phosphatase 1B (PTP1B) inhibitors were identified by molecular modeling techniques. Docking, molecular dynamics simulations and free energy calculations were employed to determine the modes of these new inhibitors. Binding free energies were calculated by involving different energy components using the Molecular Mechanics-Poisson-Boltzmann Surface Area and Generalized Born Surface Area methods. Relatively larger binding energies were obtained for the catechol derivatives compared to one of the PTP1B inhibitors already in use. The Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) free energy decomposition analysis indicated that the hydroxyl functional groups and biphenyl ring system had favorable interactions with Met258, Tyr46, Gln262 and Phe182 residues of PTP1B. The results of hydrogen bound analysis indicated that catechol derivatives, in addition to hydrogen bonding interactions, Val49, Ile219, Gln266, Asp181 and amino acid residues of PTP1B are responsible for governing the inhibitor potency of the compounds. The information generated from the present study should be useful for the design of more potent PTP1B inhibitors as anti-diabetic agents.

지능형 제품설계 시스템 개발을 위한 자동변속기 레버 구조부의 기능분해 (Function Decomposition of Structural Part in Automatic Transmission Lever for the Development of Intelligent Product Design System)

  • 하상도;김원기;고희병;차성운
    • 한국정밀공학회:학술대회논문집
    • /
    • 한국정밀공학회 2001년도 춘계학술대회 논문집
    • /
    • pp.622-626
    • /
    • 2001
  • Every design activity has a goal of satisfying a set of functional requirement. The commencement of a design, therefore, must have its foundation upon the identification of the functional requirements. Many of the design practices of the industrial examples can be categorized as design of small systems that are defined to have limited and fixed sets of functional requirements to be satisfied at all times. In the case of small systems it facilitates the construction of a knowledge-based system for a specific purpose to decompose the functional requirement and map ones in the lowest level into specific design features. When the number of design features is large, they need to be managed by groups. This paper suggests a grouping method for design process can be regarded as a series of selections of the predefined functional primitives according to the requirements and the preceding selections. An intelligent product design system for automatic transmission lever design is developed as an example.

  • PDF

Litter Processing in Tropical Headwater Streams : Potential Importance of Palm Fruit Fall and Frond Fall

  • Covich, Alan P.
    • The Korean Journal of Ecology
    • /
    • 제23권2호
    • /
    • pp.113-116
    • /
    • 2000
  • Different phenological patterns of leaf and fruit fall among native and non-native riparian species provide a spatially and temporally heterogeneous series of alternative food resources for detritivores. Relatively little is known about qualitative differences among these different riparian species. Rates of litter inputs, decomposition, and retention for different sources of riparian litter require long-term documentation. Species of freshwater shrimps, crabs. insects. and gastropods are known to consume a wide range of litter inputs but how these dynamic food webs function under changing climatic and land-use conditions is unknown, especially in tropical streams. On-going studies in the Luquillo Experimental Forest. Puerto Rico provide an example of how inputs of fronds and fruits from palms (Prestoea montana) serve as important foods and microhabitat for species of freshwater crabs and shrimp. Native riparian species such as Prestoea montana are commonly distributed in the Luquillo Mountains especially along steep slopes and stream banks. After tropical storms with high winds, the large fronds from these native riparian trees provide important inputs of leaf litter to the stream food web. In some streams, the input of ripe fruit from non-native trees such as Java plum (Syzigium jambos) also provides a major source of detrital food resources, especially during periods when fruit fall from native species of palms may be limited.

  • PDF

FRP용 불포화폴리에스터 수지들의 연소 특성 연구 (Flammability Characteristics of Unsaturated Polyesters for FRP)

  • 최원종
    • 한국화재소방학회논문지
    • /
    • 제12권4호
    • /
    • pp.51-57
    • /
    • 1998
  • FRP용 모재수지로 다량 사용되는 불포화폴리에스터 수지(이소프탈산계, 비닐에스터계)의 내열성 및 연소특성을 열분석, 연소실험 및 SEM 관찰을 통하여 알아보았다. 열분석(TGA, D DSC) 결과 이소프탈산계 폴리에스터보다 비닐에스터수지의 내열 특성이 상대적으로 우수 한 것으로 나타났다. 연소실험 결과 이소프탈산계 폴리에스터는 수지에 유통이 생기면서 쉽 게 연소되었지만, 비닐에스터의 경우 연소 시 고체탄화물을 형성시켜 상대적으로 낮은 b burning rate 값을 보였다. 본 연구 결과 불포화 폴리에스터 수지가 연소될 때 많은 연기와 화염이 발생하므로 FRP 모재수지로 사용할 때 반드시 난연처리를 해야 함을 알 수 있었다.

  • PDF

초음파에 의한 수중의 난분해성 방향족화합물의 반응특성 (Characteristics of the sonolytic reaction of refractory aromatic compounds in aqueous solution by ultrasound)

  • 손종렬;모세영
    • 한국물환경학회지
    • /
    • 제18권4호
    • /
    • pp.411-419
    • /
    • 2002
  • In this study, the series of ultrasonic irradiation for removal of refractory aromatic compounds has been selected as a model reaction in the batch reactor system in order to obtain the reaction kinetics. The products obtained from the ultrasonic irradiation were analysed by GC and GC/MSD. The decomposition of benzene produced toluene, phenol, and C1-C4 compounds, while the intermediates during the ultrasonic irradiation of 2,4-Dichlorophenol(DCP) were phenol, HCl, catechol, hydroquinone, and benzoquinone. It was found that more than 80% of benzene, and 2,4-DCP solutions were removed within 2 hours in all reaction conditions. The reaction order in the degradation of these three compounds was verified as pseudo-zero or first order. From the fore-mentioned results, it can be concluded that the refractory organic compounds could be removed by the ultrasonic irradiation with radicals, such as $H{\cdot}$ and $OH{\cdot}$ radical causing the high increase of pressure and temperature. Finally, it appeared that the technology using ultrasonic irradiation can be applied to the treatment of refractory compounds which are difficult to be decomposed by the conventional methods.

일사량 데이터 관리를 위한 미래 변화 추이 예측 (Estimation of Future Trend for Solar Radiation Data Management)

  • 오인배;이봉근;안윤애
    • 한국콘텐츠학회논문지
    • /
    • 제7권12호
    • /
    • pp.218-230
    • /
    • 2007
  • 일사량 데이터의 측정값은 시간의 변화에 따라 변경되는 특성을 갖기 때문에 측정되는 원시 데이터의 양이 상당히 방대해진다. 따라서 일사량 데이터의 이력 정보를 체계적으로 저장 및 관리할 수 있는 데이터베이스의 구축과 일사량 데이터의 향후 변화 추이에 관한 예측 기법의 연구가 필요하다. 이 논문에서는 일사량 데이터의 이력정보를 저장하기 위한 데이터 저장구조를 제시하고, 시계열 분해법을 적용한 일사량 데이터의 변화 추이 예측 기법을 제안한다. 아울러 국내 20개 도시에서 측정된 데이터를 토대로 한 실험결과를 제시한다.

Impulse Response of Inflation to Economic Growth Dynamics: VAR Model Analysis

  • DINH, Doan Van
    • The Journal of Asian Finance, Economics and Business
    • /
    • 제7권9호
    • /
    • pp.219-228
    • /
    • 2020
  • The study investigates the impact of inflation rate on economic growth to find the best-fit model for economic growth in Vietnam. The study applied Vector Autoregressive (VAR), cointegration models, and unit root test for the time-series data from 1996 to 2018 to test the inflation impact on the economic growth in the short and long term. The study showed that the two variables are stationary at lag first difference I(1) with 1%, 5% and 10%; trace test indicates two cointegrating equations at the 0.05 level, the INF does not granger cause GDP, the optimal lag I(1) and the variables are closely related as R2 is 72%. It finds that the VAR model's results are the basis to perform economic growth; besides, the inflation rate is positively related to economic growth. The results support the monetary policy. This study identifies issues for Government to consider: have a comprehensive solution among macroeconomic policies, monetary policy, fiscal policy and other policies to control and maintain the inflation and stimulate growth; set a priority goal for sustainable economic growth; not pursue economic growth by maintaining the inflation rate in the long term, but take appropriate measures to stabilize the inflation at the best-fitted VAR forecast model.

Carbon/TiO2 Prepared from Anatase to Pitch and their Photocatalytic Performance

  • Chen, Ming-Liang;Ko, Young-Shin;Oh, Won-Chun
    • Carbon letters
    • /
    • 제8권1호
    • /
    • pp.6-11
    • /
    • 2007
  • Carbon/$TiO_2$ composites were prepared by $CCl_4$ solvent mixing method with different mixing ratios. Since the carbon layers derived from pitch on the $TiO_2$ particles were porous, the Carbon/$TiO_2$ composite series showed a good adsorptivity and photo decomposition activity. The BET surface area for the carbon layer in the sample increases to increasing with pitch contents. The SEM results present to the characterization of porous texture on the Carbon/$TiO_2$ composite and pitch distributions on the surfaces for all the materials used. From XRD data, a weak and broad carbon peak of graphene with pristine anatase peaks were observed in the X-ray diffraction patterns for the Carbon/$TiO_2$. The EDX spectra show the presence of C, O and S with strong Ti peaks. Most of these samples are richer in carbon and major Ti metal than any other elements. Finally, the excellent photocatalytic activity of Carbon/$TiO_2$ with slope relationship between relative concentration (C/$C_0$) of MB and t could be attributed to the homogeneous coated pitch on the external surface by $CCl_4$ solvent method.

Serially multiplexed FBG accelerometer for structural health monitoring of bridges

  • Talebinejad, I.;Fischer, C.;Ansari, F.
    • Smart Structures and Systems
    • /
    • 제5권4호
    • /
    • pp.345-355
    • /
    • 2009
  • This article describes the development of a fiber optic accelerometer based on Fiber Bragg Gratings (FBG). The accelerometer utilizes the stiffness of the optical fiber and a lumped mass in the design. Acceleration is measured by the FBG in response to the vibration of the fiber optic mass system. The wavelength shift of FBG is proportional to the change in acceleration, and the gauge factor pertains to the shift in wavelength as a function of acceleration. Low frequency version of the accelerometer was developed for applications in monitoring bridges. The accelerometer was first evaluated in laboratory settings and then employed in a demonstration project for condition assessment of a bridge. Laboratory experiments involved evaluation of the sensitivity and resolution of measurements under a series of low frequency low amplitude conditions. The main feature of this accelerometer is single channel multiplexing capability rendering the system highly practical for application in condition assessment of bridges. This feature of the accelerometer was evaluated by using the system during ambient vibration tests of a bridge. The Frequency Domain Decomposition method was employed to identify the mode shapes and natural frequencies of the bridge. Results were compared with the data acquired from the conventional accelerometers.

Hydrogenation of Ethyl Acetate to Ethanol over Bimetallic Cu-Zn/SiO2 Catalysts Prepared by Means of Coprecipitation

  • Zhu, Ying-Ming;Shi, Xin Wang Li
    • Bulletin of the Korean Chemical Society
    • /
    • 제35권1호
    • /
    • pp.141-146
    • /
    • 2014
  • A series of bimetallic Cu-Zn/$SiO_2$ catalysts were prepared via thermal decomposition of the as-synthesized $CuZn(OH)_4(H_2SiO_3)_2{\cdot}nH_2O$ hydroxides precursors. This highly dispersed Cu-solid base catalyst is extremely effective for hydrogenation of ethyl acetate to ethanol. The reduction and oxidation features of the precursors prepared by coprecipitation method and catalysts were extensively investigated by TGA, XRD, TPR and $N_2$-adsorption techniques. Catalytic activity by ethyl acetate hydrogenation of reaction temperatures between 120 and $300^{\circ}C$, different catalyst calcination and reduction temperatures, different Cu/Zn loadings have been examined extensively. The relation between the performance for hydrogenation of ethyl acetate and the structure of the Cu-solid base catalysts with Zn loading were discussed. The detected conversion of ethyl acetate reached 81.6% with a 93.8% selectivity of ethanol. This investigation of the Cu-Zn/$SiO_2$ catalyst provides a recently proposed pathway for ethyl acetate hydrogenation reaction to produce ethanol over Cu-solid base catalysts.