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Zhi-Bi Zhang Yuan-Ling Xia Guang-Heng Dong Yun-Xin Fu Shu-Qun Liu 《International journal of molecular sciences》2021,22(4)
Cold-adapted enzymes feature a lower thermostability and higher catalytic activity compared to their warm-active homologues, which are considered as a consequence of increased flexibility of their molecular structures. The complexity of the (thermo)stability-flexibility-activity relationship makes it difficult to define the strategies and formulate a general theory for enzyme cold adaptation. Here, the psychrophilic serine hydroxymethyltransferase (pSHMT) from Psychromonas ingrahamii and its mesophilic counterpart, mSHMT from Escherichia coli, were subjected to μs-scale multiple-replica molecular dynamics (MD) simulations to explore the cold-adaptation mechanism of the dimeric SHMT. The comparative analyses of MD trajectories reveal that pSHMT exhibits larger structural fluctuations and inter-monomer positional movements, a higher global flexibility, and considerably enhanced local flexibility involving the surface loops and active sites. The largest-amplitude motion mode of pSHMT describes the trends of inter-monomer dissociation and enlargement of the active-site cavity, whereas that of mSHMT characterizes the opposite trends. Based on the comparison of the calculated structural parameters and constructed free energy landscapes (FELs) between the two enzymes, we discuss in-depth the physicochemical principles underlying the stability-flexibility-activity relationships and conclude that (i) pSHMT adopts the global-flexibility mechanism to adapt to the cold environment and, (ii) optimizing the protein-solvent interactions and loosening the inter-monomer association are the main strategies for pSHMT to enhance its flexibility. 相似文献
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《Journal of the European Ceramic Society》2021,41(13):6722-6728
Extensive researches on scintillators have been executed to satisfy the excellent radiation detection materials in broad applications. However, practical application of conventional scintillators is limited due to the limitations of high cost, time-consuming fabrication process and insufficient radioluminescence. Herein, high density precursor glass doped with Tb3+ was designed to absorb X-ray efficiently and produce green emission. Molecular dynamics simulation was used to simulate the phase separation process in melting process. Then, Tb3+-doped Ba0.84Gd0.16F2.16 glass ceramics (GCs) with excellent structural and optical properties were elaborated by melt quenching technic and further heat treating. Their structural properties, photoluminescence (PL) and X-ray excited luminescence (XEL) were explored detailedly. The internal quantum efficiency of PL is 64 % in GCs. The XEL intensity is 192 % of that of Bi4Ge3O12 (BGO) commercial scintillator. Our results suggest that Ba0.84Gd0.16F2.16:Tb3+ GCs might have potential application in X-ray detection. 相似文献
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The performance of the Taylor‐Couette flow apparatus as a heat sterilizer is numerically investigated. The destruction of Clostridium botulinum and thiamine (vitamin B1) was selected as model reaction. When Taylor vortices were formed in the annular space, the heat transfer significantly enhanced as compared to the case without vortex flow. As a result, the equivalent lethality calculated from the temperature field increased, which is regarded as a quantum leap. Conversely, the improvement of heat transfer induced destruction of thiamine. These results suggest that there is a trade‐off relationship between the enhancement of heat transfer and the avoidance of thermal destruction of nutritional components. In conclusion, the Taylor‐Couette flow sterilizer has the potential for process intensification in heat sterilization processes. 相似文献
37.
Mehdi Hosseini Abadshapoori 《亚洲传热研究》2021,50(2):1056-1072
Increasing the heat capacity of heat exchangers is a crucial need for modern devices. The thermal conductivity of the usual fluids and the Nusselt (Nu) number of flows containing such fluids are two bottlenecks in the way of increasing heat delivery in the heat exchangers. For this reason, nanofluids have been introduced. The effect of utilizing a Cu-water nanofluid as a coolant of two hot pipes in a square cavity is investigated numerically with a two-component lattice Boltzmann method. The volume fraction of nanoparticles is assumed to be constant (0.03) while the Richardson (Ri) number varies from 0.02 to 20. Results show that the effectiveness of nanoparticles is better observed in the natural convection mode. However, sedimentation is also very probable at high Ri numbers, which significantly reduces the effectiveness of the nanoparticles. Configurations which produce a natural convection stream similar to the forced convection one as well as the configurations with high spacing and hence, low heat stream interactions, are the best choices for a uniform heat rate from the pipes. 相似文献
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Through a combined computational fluid dynamics and discrete element method approach, the effect of the operating parameters on the hydrodynamics and heat‐transfer properties of gas‐solid two‐phase flows in a spouted bed are extensively investigated. Considering the high velocity in the fountain region, gas turbulence is resolved by employing the large‐eddy simulation. The rolling friction model is adopted for more precise predictions of solid behavior near the wall. Subsequently, the gas‐solid flow patterns, gas‐solid velocities, and temperature evolution are investigated. Moreover, different operating conditions and geometry configurations are evaluated with respect to heat‐transfer performance. The results provide a fundamental understanding of heat‐transfer mechanisms in spouted beds. 相似文献
39.
针对钢制导热油烘缸在工作时出现工作表面温度分布不均匀、温差大等情况,采用三维建模和模拟仿真方法对钢制导热油烘缸的结构进行优化。本研究主要从3个方面对钢制导热油烘缸进行结构改进,分别是改变循环油路通道数量,改变进油槽与出油槽上孔的排列方式,改变循环油路的结构。研究结果表明,相对其他烘缸结构,具有循环油路通道数量为20个、进油槽与出油槽上孔为单排排列、循环油路两两相通的钢制导热油烘缸的性能更好,可以达到工作表面温度分布均匀、温差控制在±5℃以内的目的。 相似文献
40.
介绍了上海前滩10-01地块(办公及住宅)高层建筑上下相邻双层大跨度钢桁架施工技术。结合项目桁架结构特点,分析讨论了双层桁架的支撑措施布设及安装过程中的注意要点,解决了±0m楼板不能满足双层桁架荷载要求的问题,提出了待下层桁架支撑卸载后,利用下层桁架布设上层桁架支撑,完成上层桁架安装的方案。同时通过有限元计算分析,对桁架施工过程进行计算模拟,研究施工过程的结构位形及内力,保证施工质量与安全。 相似文献