Ab initio calculations of the NO2 fission for CL-20 conformers

NO₂ fission is regarded to be the most important initial decomposition process of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20). In this study, four CL-20 conformers based on the ε-CL-20 were obtained after the optimization at m062x/cc-pvtz level, and the bond length, bond order and bond dissociation energy of the N-N bonds were examined to investigate the stability of these bonds. In addition, the rate constants and activation energy of the NO₂ fission were evaluated using the microcanonical variational transition state theory (μVT). The calculation results have shown that N-N bonds in the case of pseudo-equatorial and axial of nitro groups are the most stable and the least stable, respectively, by evaluating the bond length, bond order and minimum energy path (MEP). The NO₂ fission rate constants are affected by not only the stability of N-N bonds but also the repulsion forces from the other nitro groups, and the fission process for pseudo-equatorial positioning of nitro groups is easier to be accelerated due to the increase of the repulsion forces. The decomposition of CL-20 conformer may mainly originate from the fission of the pseudo-equatorial positioning of nitro groups, especially for CL-20 III conformer because of the significant low activation energy.     

Identification of Host Cellular Protein Substrates of SARS-COV-2 Main Protease

The novel severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the causative agent of coronavirus disease-19 (COVID-19) being associated with severe pneumonia. Like with other viruses, the interaction of SARS-CoV-2 with host cell proteins is necessary for successful replication, and cleavage of cellular targets by the viral protease also may contribute to the pathogenesis, but knowledge about the human proteins that are processed by the main protease (3CLpro) of SARS-CoV-2 is still limited. We tested the prediction potentials of two different in silico methods for the identification of SARS-CoV-2 3CLpro cleavage sites in human proteins. Short stretches of homologous host-pathogen protein sequences (SSHHPS) that are present in SARS-CoV-2 polyprotein and human proteins were identified using BLAST analysis, and the NetCorona 1.0 webserver was used to successfully predict cleavage sites, although this method was primarily developed for SARS-CoV. Human C-terminal-binding protein 1 (CTBP1) was found to be cleaved in vitro by SARS-CoV-2 3CLpro, the existence of the cleavage site was proved experimentally by using a His₆-MBP-mEYFP recombinant substrate containing the predicted target sequence. Our results highlight both potentials and limitations of the tested algorithms. The identification of candidate host substrates of 3CLpro may help better develop an understanding of the molecular mechanisms behind the replication and pathogenesis of SARS-CoV-2.     

Super-oleophilicity Co-doping Co2+/F-/TiO2 one-dimensional nanotubes for photocatalytic denitrification of light oil

In this study, a simple hydrothermal synthesis method was adapted for the preparation of Co-doping Co²⁺/F^-/TiO₂ nanotubes photocatalyst, and the micro-nano structure of catalysts prepared by biomimetic technology which makes the catalyst have super-oleophilicity property. Co²⁺/F^-/TiO₂ revealed improved photocatalytic performance for denitrification of light oil compared to single TiO₂ photocatalysts. The enhance of photocatalytic activity can be attributed to narrowing the band gap, increasing the light response wavelength and exposing more highly active crystal surfaces due to synergistic effects of Co²⁺ and F^? in the photocatalyst.     

用于远程激光测距机的板条激光器

研制了用于远程激光脉冲测距机的板条激光器。使用半导体泵浦的MOPA激光结构实现了大于250 mJ的脉冲激光输出,输出脉冲宽度为12.83 ns,最终输出激光光束束散角为0.18 mrad。该激光测照器可应用于远程激光测距。对激光测距机的测距与照射能力进行了理论计算与分析。理论分析表明,应用于机载平台时,该激光测照器能够实现50 km距离的激光测距。该型激光测距机具有测距距离远,重量轻,结构紧凑等特点,具有广泛的应用前景。     

Properties and applications of β‐glycosidase from Bacteroides thetaiotaomicron that specifically hydrolyses isoflavone glycosides

To modify the glycan part of glycosides, the gene encoding β‐glycosidase was cloned from Bacteroides thetaiotaomicron VPI‐5482. The cloned gene, bt_1780, was expressed in Escherichia coli MC1061 and the expressed enzyme was purified using Ni‐NTA affinity chromatography. The purified enzyme, BTBG, showed optimal activity at 50 °C and pH 5.5. Interestingly, this enzyme did not have any hydrolysing activity on ordinary β‐linkage–containing substrates such as xylobiose, lactose and cello‐oligosaccharide, but specifically hydrolysed isoflavone glycosides such as daidzin, genistin and glycitin. Compared to a commercial beta glucosidase, BTBG selectively hydrolysed isoflavone glycosides in soybean extract mixture solution. These results suggest that BTBG may be a specialized enzyme for the hydrolysis of glycosides and that the substrate specificity of BTBG is applicable for the bioconversion of isoflavone glycosides in the food industry.     

Change detection in synthetic aperture radar images based on unsupervised artificial immune systems

In this paper, we propose a novel change detection method for synthetic aperture radar images based on unsupervised artificial immune systems. After generating the difference image from the multitemporal images, we take each pixel as an antigen and build an immune model to deal with the antigens. By continuously stimulating the immune model, the antigens are classified into two groups, changed and unchanged. Firstly, the proposed method incorporates the local information in order to restrain the impact of speckle noise. Secondly, the proposed method simulates the immune response process in a fuzzy way to get an accurate result by retaining more image details. We introduce a fuzzy membership of the antigen and then update the antibodies and memory cells according to the membership. Compared with the clustering algorithms we have proposed in our previous works, the new method inherits immunological properties from immune systems and is robust to speckle noise due to the use of local information as well as fuzzy strategy. Experiments on real synthetic aperture radar images show that the proposed method performs well on several kinds of difference images and engenders more robust result than the other compared methods.     

Producing fully-lamellar microstructure for wrought beta-gamma TiAl alloys without single α-phase field

Fine-grained fully-lamellar (FL) microstructure is desired for TiAl components to serve as compressor/turbine blades and turbocharger turbine wheels. This study deals with the process and phase transformation to produce FL microstructure for Mo stabilized beta-gamma TiAl alloys without single α-phase field. Unlike the α + γ two-phased TiAl or beta-gamma TiAl with single α-phase field, the wrought multi-phase TiAl–4/6Nb–2Mo–B/Y alloys exhibit special annealing process to obtain FL microstructure. Short-term annealing at temperatures slightly above β-transus is recommended to produce the desired FL microstructure. The related mechanism is to guarantee the sufficient diffusion homogenization of β stabilizers during single β-phase annealing, and further avoid α decomposition by α → γ + β when cooling through α + β + γ phase field. The colony boundary β phase contributes to fine-grained nearly FL microstructure, by retarding the coarsening of the α phase grains.     

Flexural behaviour of RC slabs strengthened with prestressed CFRP strips using different anchorage systems

The Externally Bonded Reinforcement (EBR) technique using Carbon Fiber-Reinforced Polymers (CFRP) has been commonly used to strengthen concrete structures in flexure. The use of prestressed CFRP material offers several advantages well-reported in the literature. Regardless of such as benefits, several studies on different topics are missing. The present work intends to contribute to the knowledge of two commercially available systems that differ on the type of anchorage: (i) the Mechanical Anchorage (MA), and (ii) the Gradient Anchorage (GA). For that purpose, an experimental program was carried out with twelve slabs monotonically tested under displacement control up to failure by using a four-point bending test configuration. The effect of type of anchorage system (MA and GA), prestrain level (0 and 0.4%), width (50 mm and 80 mm) and thickness (1.2 mm and 1.4 mm) of the CFRP laminate, and the surface preparation (grinded and sandblasted) on the flexural response were the main studied parameters. Better performance was observed for the slabs: (i) with prestressed laminates, (ii) for the MA system, and (iii) with sandblasted surface preparation.