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Glutathione Peroxidase Revisited—Simulation of the Catalytic Cycle by Computer-Assisted Molecular Modelling 被引量:6
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作者 K. -D. AUMANN N. BEDORF +3 位作者 R. BRIGELIUS-FLOHED D. SCHOMBURG AND L. FLOHE(Gesellschaft fur Biotechnologische Forschung mbH (GBF) Mascheroder Weg 1, D-38124 Braunschweig, Germany Deutsches Institut fur Ernahrungsforschung (DIfE) Arthur-Scheunert-Allee 114 《Biomedical and Environmental Sciences》 SCIE CAS CSCD 1997年第2期136-155,共20页
Glutathione peroxidase, the first example of selenoproteins identified in mammals, was subjected to force field calculations and molecular dynamics in order to enable a clearer comprehension of enzymatic selenium cata... Glutathione peroxidase, the first example of selenoproteins identified in mammals, was subjected to force field calculations and molecular dynamics in order to enable a clearer comprehension of enzymatic selenium catalysis. Starting from the established X-ray structure of bovine GPX, all kinetically defined intermediates and enzyme substrate complexes were modelled. The models thus obtained support the hypothesis that the essential steps of the catalysis are three distinct redox changes of the active site selenium which, in the ground state, presents itself at the surface of selenoperoxidases as the center of a characteristic triad built by selenocysteine, glutarnine and tryptophan. In GPX, four arginine residues and a lysine residue provide an electrostatic architecture which, in each reductive step, directs the donor substrate GSH towards the catalytic center in such a way that 1ts sulfhydryl group must react with the selenium moiety. To this end, different equally efficient modes of substrate binding appear possible. The models are consistent with substrate specificity data, kinetic pattern and other functional characteristics of the enzyme. Comparison of molecular models of GPX with those of other members of the GPX superfamily reveals that the cosubstrate binding mechanisrns are unique for the classical type of cytosolic glutathione peroxidases but cannot operate e. g. in plasma GPX and phospholipid hydroperoxide GPX. The structural differences between the selenoperoxidases, shown to be relevant to their specificities, are discussed in terms of functional diversification within the GPX superfamily 展开更多
关键词 GPX Glutathione Peroxidase Revisited simulation of the Catalytic cycle by Computer-Assisted Molecular Modelling
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SIMULATION OF WELD THERMAL CYCLE USING THE MODEL OF CARBONITRIDE PARTICLES PRECIPITATION 被引量:2
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作者 C. B. Cui S. H. Yang Z. Xiong and J. B. Hong (University Navy Engineering, Wuhan, China) 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2000年第1期145-150,共6页
Based on the chasteal nucleation theory, the kinetic precipitation model of carbon - nitride particles in weld HAZ is proposed. Using the model,welding simulation technology and the quantitative metallo- graphic anal... Based on the chasteal nucleation theory, the kinetic precipitation model of carbon - nitride particles in weld HAZ is proposed. Using the model,welding simulation technology and the quantitative metallo- graphic analysis,the precipitation transformation temperatue (PTT) curve is obtained.The data from the simulated welds are in good apreement with the value that the PTT curves predicated. 展开更多
关键词 carbon-nitride simulated weld thermal cycle PTT curve
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Mantle convection modeling of the supercontinent cycle: Introversion,extroversion, or a combination? 被引量:5
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作者 Masaki Yoshida M.Santosh 《Geoscience Frontiers》 SCIE CAS CSCD 2014年第1期77-81,共5页
The periodic assembly and dispersal of continental fragments, referred to as the supercontinent cycle, bear close relation to the evolution of mantle convection and plate tectonics. Supercontinent formation involves c... The periodic assembly and dispersal of continental fragments, referred to as the supercontinent cycle, bear close relation to the evolution of mantle convection and plate tectonics. Supercontinent formation involves complex processes of "introversion" (closure of interior oceans), "extroversion" (closure of exterior oceans), or a combination of these processes in uniting dispersed continental fragments, Recent developments in numerical modeling and advancements in computation techniques enable us to simulate Earth's mantle convection with drifting continents under realistic convection vigor and rheology in Earth-like geometry (i.e., 3D spherical-shell). We report a numerical simulation of 3D mantle convection, incorporating drifting deformable continents, to evaluate supercontinent processes in a realistic mantle convection regime. Our results show that supercontinents are assembled by a combi- nation of introversion and extroversion processes. Small-scale thermal heterogeneity dominates deep mantle convection during the supercontinent cycle, although large-scale upwelling plumes intermit- tently originate under the drifting continents and/or the supercontinent. 展开更多
关键词 Mantle convection Numerical simulation Tectonics Supercontinent cycle Introversion Extroversion
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Digitalization of mine operations:Scenarios to benefit in real-time truck dispatching 被引量:5
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作者 Patarawan Chaowasakoo Heikki Seppala +1 位作者 Heikki Koivo Quan Zhou 《International Journal of Mining Science and Technology》 SCIE EI CSCD 2017年第2期229-236,共8页
One of the key factors in a profitable open-pit mine is the efficiency of the waste disposal system. Using GPS-technology, the truck-dispatching decisions can be made in real-time but the chosen strategy has a crucial... One of the key factors in a profitable open-pit mine is the efficiency of the waste disposal system. Using GPS-technology, the truck-dispatching decisions can be made in real-time but the chosen strategy has a crucial role. Therefore, finding the optimal dispatching strategy for truck-shovel operations is extremely important. Dispatching strategies have been reported in the literature, but the comparison of these strategies is still missing. This paper illustrates the differences between the strategies by conducting a stochastic simulation study based on the data gathered from an actual mine. The findings underline the importance of the global vision in dispatching decisions. 展开更多
关键词 Discrete event simulation GPS Truck dispatching cycle time Fleet management
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High-Speed EMU TCMS Design and LCC Technology Research 被引量:2
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作者 Hongwei Zhao Zhiping Huang Ying Mei 《Engineering》 SCIE EI 2017年第1期122-129,共8页
This paper introduces the high-speed electrical multiple unit (EMO) life cycle, including the design, manufacturing, testing, and maintenance stages. It also presents the train control and monitoring system (TCMS)... This paper introduces the high-speed electrical multiple unit (EMO) life cycle, including the design, manufacturing, testing, and maintenance stages. It also presents the train control and monitoring system (TCMS) software development platform, the TCMS testing and verification bench, the EMU driving simulation platform, and the EMU remote data transmittal and maintenance platform. All these platforms and benches combined together make up the EMU life cycle cost (LCC) system. Each platform facilitates EMU LCC management and is an important part of the system. 展开更多
关键词 Electrical multiple unit Train control and monitoring system Train communication network Life cycle cost Development platform Testing bench simulation Remote data transmittal
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