摘要：By means of ab initio HF and DFT B3LYP methods, the structure of Gaq3 (q = 8-hydroxyquinoline) was optimized. The frontier molecular orbital characteristics and energy levels of Gaq3 have been analyzed systematically in order to study the electronic transition mechanism in Gaq3. Three derivatives of Gaq3 and their polymers were designed and the possibilities that they were employed as luminescent materials were discussed. The regularities and characteristic of energy bands of Gaq3 and its derivatives were also investigated. The results show that the electronic π-π* transitions in Gaq3 are localized on the quinolate ligands. The emission of Gaq3 is due to the electron transitions from a phenoxide donor to a pyridyl acceptor. Two possible electron transfer pathways are presented, one by carbon atoms, and the other via metal cation Ga3+. The derivatives of Gaq3 may possess high luminescence efficiency.

摘要：This paper addressed the problem of identifying the property of the singularity loci of the 6/6-Stewart manipulators. The singularity locus equation of the manipulator can be obtained by setting the determinant of the Jacobian matrix be zero. The singularity loci for different orientations are illustrated with examples. The singularity locus equation of the manipulator with respect to the oblique plane is derived either which is a polynomial expression of two degree. It shows that the singularity loci of the manipulator in the parallel oblique planes are hyperbolas accompanied with four pairs of intersecting straight lines and a parabola. Their geometric interpretations and the properties of the singularity loci are further analyzed.

摘要：Biomedical metals are widely used as implant materials in the human or animal body to repair organs and restore function, such as heart valves, meninges, peritoneum and artificial *** element affects the microstructure, mechanical property, corrosion resistance and wear resistance, but also influences the antibacterial and biological ***, antibacterial metal alloys have shown great potential as a new kind of biomedical materials, in which Cu has been widely used as antibacterial agent *** addition, biodegradable metal alloys, including magnesium alloy and zinc alloy, also have attracted much attention *** was also used as alloying element to adjust the degradation ***, the role of Cu in the alloy design will be very important for the development of new *** this paper, we summarized the recent research results on the Cu-containing metal alloy for biomedical application and hoped that this review would give more suggestions for the further development of biomedical metal alloy.

摘要：Fullerene derivatives as a kind of star carbon materials have received intense investigation because of their three-dimensional shape,anisotropic electron mobility,and high electron ***,the cutting-edge developments of fullerene nanomaterials have had a tremendous impact on a wide range of applications,such as organic solar cells,field effect transistors,and *** explore their full potential applications,research into fullerene-based multilevel nanostructures relying on hierarchical interactions from bottom to top is rapidly *** is of great theoretical and practical significance to prepare multilevel fullerene nanostructures with structural and properties controlled by optimizing the influencing *** review would offer several aspects including the chemical structures of organic molecules and the nanostructures of the organic molecules and fullerene-organic *** monolayers or multilayers,fullerene molecules tend to fall into a space of suitable size,in which the located positions are affected by the intermolecular *** the covered surfaces,fullerenes are more likely to approach the electron-withdrawing units through the donor-acceptor and charge transfer *** the implementation of this review,an exhaustive analysis on the chemical modification,including the molecular backbone and substituents,preformed network synergies,and adsorption sites is *** addition,the relationship between the molecules and structures that illustrates the importance of the molecular design for the controlled fullerenes hybrid nanostructures can be further understood based on the results of the joined experimental and computational investigations.

摘要：The multi-component composition characteristics of high-temperature near-α Ti alloys were investigated in the present work by means of a cluster formula approach. The uniform cluster formula [CN12 cluster](glue atom)3 for the hexagonal close-packed α solid solution was first obtained based on the Friedel oscillation theory, with a total atom number in the formula of Z = 16. Then it was analyzed that the Z values in the cluster composition formulas of typical near-α Ti alloys are within the range of Z = 16.0016.30, being perfectly consistent with the ideal Z = 16. Based on it, a series of new alloys with Z = 16 and with Nb/Ta substitution for Mo in Ti1100 alloy were designed, suction-cast into φ 6 mm rods, and then heat-treated with solid solution and aging. It was found that the alloy with co-addition of Mo, Ta and Nb has a high strength and good ductility at both room and high temperatures. More importantly, the additions of Nb and Ta can contribute to the formation of continuous and compact Al2O3 scales, resulting in an obvious improvement of oxidation resistances at both 923 K and 1073 K. The effects of Mo, Ta and Nb on the oxidation behaviors of the designed alloys at 1073 K were further discussed.

摘要：Taxol is a 'blockbuster' antitumor drug produced by Taxus species with extremely low amount, while its analogue 7-β-xylosyl-10-deacetyltaxol is generally much higher in the plants. Both the fungal enzymes LXYL-P1à1 and LXYL-P1à2 can convert 7-β-xylosyl-10-deacetyltaxol into10-deacetyltaxol for Taxol semi-synthesis. Of them, LXYL-P1à2 is twice more active than LXYLP1à1, but there are only 11 significantly different amino acids in terms of the polarity and acidic-basic properties between them. In this study, single and multiple site-directed mutations at the 11 sites from LXYL-P1à1 to LXYL-P1à2 were performed to define the amino acids with upward bias in activities and to acquire variants with improved catalytic properties. Among all the 17 mutants, E12(A72 T/V91 S) was the most active and even displayed 2.8-and 3-fold higher than LXYL-P1à2 on β-xylosidase andβ-glucosidase activities. The possible mechanism for such improvement was proposed by homology modeling and molecular docking between E12 and 7-β-xylosyl-10-deacetyltaxol. The recombinant yeast GS115-P1 E12-7 was constructed by introducing variant E12, the molecular chaperone gene pdi and the bacterial hemoglobin gene vhb. This engineered yeast rendered 4 times higher biomass enzyme activity than GS115-3.5 K-P1à2 that had been used for demo-scale fermentation. Thus, GS115-P1 E12-7 becomes a promising candidate to replace GS115-3.5 K-P1à2 for industrial purpose.

摘要：The durability of trouser's appearance involves the durability of crease and seam line after pressing, bagging resistance, wrinkle resistance, pilling resistance on the surface during wear. These properties are very important for the tailored trousers. It is investigated how the durability of trousers appearance is related to properties of the blend ratio of wool and PET, the yarn structure and fabric mechanical properties.

摘要：Nano-SiO2 particles strengthened Ni-based composite coating was designed and prepared on steel substrate. The structures and nanoparticle content of the nano-SiO2/Ni composite coating were determined by SEM, EDS and TEM; and the micro mechanical properties were tested by nano-indentation technique. The results show that 56% of particles in the solution are dispersed in size of less than 100nm, the content of nanoparticles co-deposited in the coating doubles and structure of the coating is more compact and uniform than that of Ni coating. Nano-SiO2/Ni coating exhibits excellent micro mechanical properties, and the nanohardness and elastic modulus are 7.81GPa and 198GPa, respectively, which are attributed to finer crystal strengthening, dispersion strengthening and high-density dislocation strengthening of nano-SiO2 particles to the composite coatings.

摘要：From the perspective of biomechanics and forming technology,Ti−Fe−Zr−Sn−Y eutectic alloy was designed using a“cluster-plus-glue-atom”model,and then the alloy was prepared by laser additive manufacturing(LAM)on pure titanium *** mechanical properties of the alloy were evaluated using micro-hardness and compression tester,and the elastic modulus was measured by *** results show that the alloy exhibits a high hardness of HV(788±10),a high strength of 2229 MPa,a failure strain of 14%,and a low elastic modulus of 87.5 *** alloy also has good tribological,chemical,forming,and biological *** comprehensive performances of the Ti64.51Fe26.40Zr5.86Sn2.93Y0.30 alloy are superior to those of the Ti70.5Fe29.5 eutectic alloy and commercial Ti−6Al−4V *** the above-mentioned qualities make the alloy a promising candidate as LAM biomaterial.

摘要：Hexagonal boron nitride(h-BN)ceramics have become exceptional materials for heat-resistant components in hypersonic vehicles,owing to their superior thermal stability and excellent dielectric ***,their densification during sintering still poses challenges for researchers,and their mechanical properties are rather *** this study,SrAl_(2)Si_(2)O_(8)(SAS),with low melting point and high strength,was introduced into the h-BN ceramics to facilitate the sintering and reinforce the strength and ***,BN-SAS ceramic composites were fabricated via hot press sintering using h-BN,SrCO_(3),Al_(2)O_(3),and SiO_(2) as raw materials,and effects of sintering pressure on their microstructure,mechanical property,and thermal property were *** thermal shock resistance of BN-SAS ceramic composites was *** show that phases of as-preparedBN-SAS ceramic composites are h-BN and h-SrAl_(2)Si_(2)O_(8).With the increase of sintering pressure,the composites’densities increase,and the mechanical properties shew a rising trend followed by a slight *** a sintering pressure of 20 MPa,their bending strength and fracture toughness are(138±4)MPa and(1.84±0.05)MPa·m^(1/2),*** sintered at 10 MPa exhibit a low coefficient of thermal expansion,with an average of 2.96×10^(-6) K^(-1) in the temperature range from 200 to 1200℃.The BN-SAS ceramic composites prepared at 20 MPa display higher thermal conductivity from 12.42 to 28.42 W·m^(-1)·K^(-1) within the temperature range from room temperature to 1000℃.Notably,BN-SAS composites exhibit remarkable thermal shock resistance,with residual bending strength peaking and subsequently declining sharply under a thermal shock temperature difference ranging from 600 to 1400℃.The maximum residual bending strength is recorded at a temperature difference of 800℃,with a residual strength retention rate of 101%.As the thermal shock temperature difference increase,the degree of oxida