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.     

Effects of ethylene-octene copolymer (POE) on the brittle to ductile transition of high-density polyethylene/POE blends

Three kinds of ethylene-octene copolymers (POE) were melt-blended with high-density polyethylene (PE-HD) in different proportions. Detailed characterizations were conducted to analyze their structural differences of POE and its effects in toughening PE-HD. The higher molecular weight POE can improve the toughness of PE-HD. 60:40 PE-HD/POE is elongated to break up to 700% while impact strength is 84.7 kJ/m² at −30°C, which is 21-fold of PE-HD. In the brittle to ductile transition (BDT) during impact, the fracture mechanism changes from the crazing mode to the shear yield-plastic deformation mode. The BDT temperature decreases as the POE molecular weight and its content increase. The interface strength in tension is estimated to access their effects. The Boltzmann-type models were successfully extended to describe the typical S-shaped curves in BDT of notched impact strength vs POE content or temperature. The supplementary decay model is suggested for the attenuation in toughening. Transition map in impact is proposed to select the use range of composition (c ) and temperature (T ) for high toughness. The curves are converted into 3D graph of T -c -impact strength for illustrating their coupling-separate effects, and further into the contour map of impact strength in T -c space for finding their partial equivalence.     

油基钻井液的封堵性能研究与应用

在涠洲12-1北油田一期工程中使用油基钻井液后事故率明显降低,但仍未能彻底解决涠二段硬脆性泥页岩井壁稳定性问题。对进一步加强油基钻井液的封堵能力进行了室内研究。通过在油基钻井液中引入超微细颗粒材料、纤维材料、变形材料和粘弹性材料,可大幅度提高其封堵能力。在涠洲12-1北油田二期工程中应用了加强封堵能力的油基钻井液,结果钻井施工非常顺利,几乎无井下复杂事故。室内评价及二期工程实践结果表明,增强油基钻井液的封堵能力对保持硬脆性泥页岩井壁稳定至关重要。     

Ring‐opening polymerization of lactones initiated by diphenylzinc–coinitiator systems

Diphenylzinc, alone or in combination with water and butanone as coinitiators, was used as a polymerization initiator system for a variety of lactones at varying temperatures. The resulting data indicate that the course of the polymerization is greatly influenced by the lactone structure, as well as by the molar ratio of coinitiator to diphenylzinc. When used alone, diphenylzinc exhibited high activity as an initiator in δ‐valerolactone polymerizations, although it was less efficient when used in the β‐butyrolactone and the β‐propiolactone polymerizations. Activity in the polymerization of β‐lactones was increased by adding small amounts of butanone or water. It was also observed that the diphenylzinc–butanone combination was more effective than the diphenylzinc–water mixture in the polymerizations of β‐butyrolactone and β‐propiolactone. Copyright © 2003 Society of Chemical Industry     

Dynamic crack propagation with cohesive elements: a methodology to address mesh dependency

In this paper, two brittle fracture problems are numerically simulated: the failure of a ceramic ring under centrifugal loading and crack branching in a PMMA strip. A three‐dimensional finite element package in which cohesive elements are dynamically inserted has been developed. The cohesive elements' strength is chosen to follow a modified weakest link Weibull distribution. The probability of introducing a weak cohesive element is set to increase with the cohesive element size. This reflects the physically based effect according to which larger elements are more likely to contain defects. The calculations illustrate how the area dependence of the Weibull model can be used to effectively address mesh dependency. On the other hand, regular Weibull distributions have failed to reduce mesh dependency for the examples shown in this paper. The ceramic ring calculations revealed that two distinct phenomena appear depending on the magnitude of the Weibull modulus. For low Weibull modulus, the fragmentation of the ring is dominated by heterogeneities. Whereas many cracks were generated, few of them could propagate to the outer surface. Monte Carlo simulations revealed that for highly heterogeneous rings, the number of small fragments was large and that few large fragments were generated. For high Weibull modulus, signifying that the ring is close to being homogeneous, the fragmentation process was very different. Monte Carlo simulations highlighted that a larger number of large fragments are generated due to crack branching. Copyright © 2003 John Wiley & Sons, Ltd.     

Aspects of rapid crack propagation in silicon

Fracture experiments with silicon specimens in recent years have shown the need for a new approach to the analysis of rapidly propagating cracks in single crystals. Behaviour and phenomena have been revealed that fracture in these materials is rather different from the fracture of both amorphous and polycrystalline materials. We show that continuum mechanics is insufficient for analyzing crack propagation in single crystals since it is unable to consider atomistic‐scale phenomena. Accordingly, we describe basic phenomena associated with rapid crack propagation in silicon : (i) anisotropic velocity‐dependent R‐curve behaviour, as a key phenomenon dictating atomistic scale behaviour, (ii) crack deflection from one cleavage plane to another as a mesoscopic scale phenomenon in single‐crystal fracture, (iii) the Rayleigh surface wave speed as the limiting crack tip velocity is re‐examined, (vi) the lowest crack velocity in brittle crystals is examined, and finally (v) the interaction between crack path and preferred cleavage planes in single crystals is depicted.     

Brittle fracture of high-strength steels at very low temperatures

High-strength steels are used to increase the load carrying capacity of components. However, to guarantee a safe design, it is also necessary to combine high strength with adequate fracture toughness. In this paper, fracture toughness of three high-strength steels with yield strengths ranging from 460 to 890 MPa has been studied at very low temperatures. Taking into account experimental evidence, a new mechanism of cleavage at very low temperatures is proposed. This mechanism considers the possibility of reaching the ideal strength (the stress at which the lattice of a single crystal losses its stability) in the immediate vicinity of the fatigue crack tip. Moreover, a computational model able to calculate the external load needed to produce a catastrophic failure of these steels has been developed.     

THE FRACTURE MECHANISM OF 475°C EMBRITTLEMENT IN A DUPLEX STAINLESS STEEL

The mechanism of “475°C embrittlement” of a duplex stainless steel was investigated using finite element modelling of the stress distribution at brittle fracture initiation. Brittle fracture initiated at a critical shear stress, which increased with ferrite hardness. The fracture stress was affected by the duplex microstructure. Fracture was nucleated by deformation twins, which were identified using electron back-scatter diffraction. The ductile-to-brittle fracture transition was sensitive to age-hardening and could be described simply by the effect of age-hardening and test temperature on the yield stress.     

PP/EPDM/CaCO_3三元共混体系的脆韧转变研究

采用扫描电镜和材料力学性能试验方法研究了ＰＰ／ＥＰＤＭ／ＣａＣＯ３三元体系中ＣａＣＯ３的表面处理与其材料的缺口冲击韧性及产生脆韧转变现象之间的关系。实验结果及分析表明：体系中分散相颗粒周围向ＰＰ基体扩散、渗透或与之共结晶的ＥＰＤＭ部分是增韧ＰＰ的有效成分；较好的表面处理条件下，体系中加入较少量的ＥＰＤＭ即可使材料缺口冲击韧性和拉伸模量值同时达到较好水平。