Exploration of GH94 Sequence Space for Enzyme Discovery Reveals a Novel Glucosylgalactose Phosphorylase Specificity

The substantial increase in DNA sequencing efforts has led to a rapid expansion of available sequences in glycoside hydrolase families. The ever-increasing sequence space presents considerable opportunities for the search for enzymes with novel functionalities. In this work, the sequence-function space of glycoside hydrolase family 94 (GH94) was explored in detail, using a combined approach of phylogenetic analysis and sequence similarity networks. The identification and experimental screening of unknown clusters led to the discovery of an enzyme from the soil bacterium Paenibacillus polymyxa that acts as a 4-O-β-d -glucosyl-d -galactose phosphorylase (GGalP), a specificity that has not been reported to date. Detailed characterization of GGalP revealed that its kinetic parameters were consistent with those of other known phosphorylases. Furthermore, the enzyme could be used for production of the rare disaccharides 4-O-β-d -glucosyl-d -galactose and 4-O-β-d -glucosyl-l -arabinose. Our current work highlights the power of rational sequence space exploration in the search for novel enzyme specificities, as well as the potential of phosphorylases for rare disaccharide synthesis.     

Non-oxidative decomposition of methane/methanol mixture over mesoporous Ni-Cu/Al2O3 Co-doped catalysts

Thermocatalytic decomposition of methane (TCD) is reported to be a promising and green route of hydrogen generation, however, the relatively fast catalyst deactivation is the main drawback of this technology. This article reports an attempt to increase the catalyst deactivation time by using Cu promoted Ni-based catalyst, and methanol premixed methane gas as a feedstock. The catalysts were prepared by wet impregnation method and characterized by TGA, BET, XRD, TPR, FESEM, Raman and TEM. An inevitable decline in surface area from 5.15 to 4.52 m²g^-1 due to the addition of 15%Cu on 50%Ni/Al₂O₃ was due to the agglomeration of particles and pore blockage of γ -Al₂O₃ support. Moreover, the reduction of NiO was shifted towards lower temperature by successful impregnation of Cu promoter. The overlapping peaks of NiO and CuO confirmed the formation of mixed oxides Ni_x Cu _(1-x) O via XRD analysis. The catalytic activity of both catalysts showed that 50%Ni-15%Cu/Al₂O₃ resulted in better methane conversion 75% at 1023 K TOS for 6 h. The post reaction analysis of the catalysts revealed that carbon in the form of CNF got deposited on the surface of the catalyst having amorphous and crystalline morphology. Finally, TEM also revealed that GF, CNF, and MWCNF were encapsulated over the surface of 50%Ni-15%Cu/Al₂O_3.     

Ti-48Al-2Nb-2Cr合金热变形行为及本构关系研究

采用Gleeble-1500热力模拟机对铸态Ti-48Al-2Nb-2Cr合金进行高温变形热压缩试验,变形温度范围为1050~1200℃,应变速率范围为0.001~0.1s^-1,压缩变形量为60%。研究该合金高温变形温度和应变速率与流变应力之间的关系,计算了合金激活能,并建立了Ti-48Al-2Nb-2Cr合金的Arrhenius本构模型和多元线性回归的本构模型。结果表明,该合金的激活能随温度升高和应变速率增大而增大;Arrhenius本构模型的相关系数为0.98228,平均相对误差为9.97%,相对误差在10%以内的点只占62.0%;而采用多元线性回归本构模型的相关系数为0.99566,平均相对误差为4.76%,相对误差在10%以内的点占92.6%,本构精度较高。     

热变形对GH4169合金中NbC析出相尺寸形貌影响研究

通过Gleeble3500热模拟试验机进行热压缩试验并结合微观组织观察和统计分析，研究了热变形对GH4169合金中NbC颗粒尺寸形貌、分布特征的影响规律。研究表明压缩过程中的绝热效应会导致试样心部温度的进一步升高，从而为变形过程中的NbC回溶提供条件。NbC颗粒与基体在变形过程中形成的高位错密度区促进了元素的扩散，并加速了小曲率半径的尖角区域回溶和钝化。随变形量的增加NbC回溶趋势增加，其平均尺寸与体积分数均呈降低趋势。变形过程金属流动会促进NbC颗粒的位移，在70%的变形量下，NbC颗粒平均间距增加趋势显著高于30%和50%变形量试样。因此随变形量的增加，NbC颗粒有从链状→链条弯曲→链条方向改变→弥散分布的分布特征，促进基体中原链状NbC呈细小、弥散分布。研究结果为GH4169闪光焊接性能的提高提供了直接的参考。     

Alloy optimisation of bainitic steel for large plastic mould

Based on the phase transformation theories, especially the T₀ concept of bainite transformation, alloy optimisation of bainitic steel with carbides has been carried out aiming at the produce of plastic mould with large cross-section. The effect of manganese and silicon on proeutectoid ferrite and bainite transformation is explored by dilatometric analysis, XRD and different microscopy techniques. The results show that after the alloy optimisation, the transformation of proeutectoid ferrite is suppressed and when the cooling rate is lower than 0·1°C?s^??1, the new lower bainite transformation appears by decreasing carbon capacity of austenite and promoting carbide precipitation. Industrial production proves that the optimised alloy SDP1 can meet the demand for the plastic mould with the thickness of 1050?mm.     

Thermodynamic assessments of the U–Nb–Mo and U–Nb–Cr ternary systems

The thermodynamic assessments of the U–Nb–Mo and U–Nb–Cr systems have been performed by using the CALPHAD (Calculation of Phase Diagrams) method on the basis of critical evaluation of phase diagram data reported in literature. The reported individual solution phases, i.e. liquid, (αU), (βU), γ, δ and two intermetallic compounds, i.e. MoU₂ and NbCr₂, have been modeled. The modeling covers the whole composition range and a wide temperature range. By utilizing the available thermodynamic parameters of the sub-binary systems, the U–Nb–Mo and U–Nb–Cr systems have been thermodynamically assessed and a series of self-consistent parameters have been obtained for the first time, which can reproduce most of the phase diagram and thermodynamic data to provide guidance for the design of nuclear fuels.     

Accelerated exploration of multi-principal element alloys for structural applications

A strategy for accelerated discovery and exploration of multi-principal element alloys was developed and used to identify new alloys within a design window of desired microstructures and properties. As an example, the strategy was applied to analyze thousands of 3- 4-, 5- and 6-component alloys at equiatomic compositions of the alloying elements. Currently available thermodynamic databases were used to assess equilibrium phase diagrams for these alloys. The validity and reliability of the calculated phase diagrams were estimated based on the extent of experimental binary and ternary data used to build the respective thermodynamic databases. Alloys with specific characteristics, such as single-phase solid solution alloys with the use temperature above 1000 °C, were identified using an automated analysis of the calculated phase diagrams. The density, elastic moduli and costs of these alloys were estimated using the rule of mixtures of pure elements and were used as additional criteria for alloy selection. This approach allowed rapid, albeit preliminary, screening of many thousands of alloys and identification of promising candidate compositions, some of which are reported in this paper, for more time intensive experimental validations and assessments.     

Synergistic effect of co-alloying elements on site preferences and elastic properties of Ni3Al: A first-principles study

The site preferences of co-alloying elements (Mo–Ta, Mo–Re, Mo–Cr) in Ni₃Al are studied using first-principles calculations, and the effects of these alloying elements on the elastic properties of Ni₃Al are evaluated by elastic property calculations. The results show that the Mo–Ta, Mo–Re and Mo–Cr atom pairs all prefer Al–Al sites and the spatial neighbor relation of substitution sites almost has no influence on the site preference results. Furthermore, the Young's modulus of Ni₃Al increases much higher by substituting Al–Al sites with co-alloying atoms, among which Mo–Re has the best strengthening effect. The enhanced chemical bondings between alloying atoms and their neighbor host atoms are considered to be the main strengthening mechanism of the alloying elements in Ni₃Al.