Microenvironment-Sensitive Fluorescent Ligand Binds Ascaris Telomere Antiparallel G-Quadruplex DNA with Blue-Shift and Enhanced Emission

The development of small molecules that can selectively target G-quadruplex (G4) DNAs has drawn considerable attention due to their unique physiological and pathological functions. However, only a few molecules have been found to selectively bind a particular G4 DNA structure. We have developed a fluorescence ligand Q1 , a molecular scaffold with a carbazole–pyridine core bridged by a phenylboronic acid side chain, that acts as a selective ascaris telomere antiparallel G4 DNA ASC20 ligand with about 18 nm blue-shifted and enhanced fluorescence intensity. Photophysical properties revealed that Q1 was sensitive to the microenvironment and gave the best selectivity to ASC20 with an equilibrium binding constant K_a=6.04×10⁵ M⁻¹. Time-resolved fluorescence studies also demonstrated that Q1 showed a longer fluorescence lifetime in the presence of ASC20. The binding characteristics of Q1 with ASC20 were shown in detail in a fluorescent intercalator displacement (FID) assay, a 2-Ap titration experiment and by molecular docking. Ligand Q1 could adopt an appropriate pose at terminal G-quartets of ASC20 through multiple interactions including π–π stacking between aromatic rings; this led to strong fluorescence enhancement. In addition, a co-staining image showed that Q1 is mainly distributed in the cytoplasm. Accordingly, this work provides insights for the development of ligands that selectively targeting a specific G4 DNA structure.     

基于机器视觉的机车齿轮毂全自动双轴拧紧机的设计和应用

设计了基于机器视觉的机车齿轮毂全自动双轴拧紧机,根据拧紧工艺和扭矩控制原理实现对螺栓拧紧力矩的控制;通过丝杠变径机构,实现不同规格齿轮毂螺栓拧紧;利用机器视觉实现螺栓位置的识别以及初始位置的确定;讨论了自动拧紧机控制系统的硬件组成和软件系统配置,并介绍了防错、防漏功能的设计流程。螺栓自动拧紧机可提高装配精度和操作效率,降低工人的劳动强度。     

滚齿工艺对齿根粗糙度的影响

针对国内外风电和工业齿轮箱轻量化的设计趋势,较低的安全系数对齿轮齿根弯曲强度提出了更为严格的要求。研究表明,在材料技术和齿形设计难以再优化的情况下,滚齿加工的粗糙度,尤其是齿根部位的粗糙度对齿轮弯曲强度的影响尤为敏感。针对滚齿工艺过程,从滚齿加工参数、刀具前刀面粗糙度和刀具刃口圆角三方面进行分析,验证其对齿根粗糙度的影响。     

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.     

高压下CL-20拉曼光谱和红外光谱相变研究

为了更好地认识和了解CL-20晶体结构演变规律和相变行为,利用金刚石对顶砧超高压实验技术,在0~50GPa下,研究了高压下ε-CL-20的原位拉曼光谱和红外光谱。结果表明,CL-20晶体在整个加压过程中存在两个相变,第一个相变发生在4.2~7.5GPa,认为是ε相到对称性更低的γ相转变,相变产生的原因是在压强的作用下,笼环外的硝基方向发生改变,电子云密度重置导致的分子构型转变;第二个相变发生在14.2~18.9GPa,属于γ相到ζ相的晶体结构转变;卸压后,拉曼和红外光谱恢复常压状态,表明CL-20晶体在研究压强范围内的相变过程是可逆的。     

How hydrogen-storage material affects the decomposition of nitramine explosive: CPMD investigations of LAB-doped CL20

As the most popular high-energy explosives, 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazatetracyclo [5.5.0.0.0] dodecane (Simplified as HNIW or CL20) attracts many attentions for improving its detonation appearance in the application. Here we introduce hydrogen-storage compounds into explosives to estimate the possible improved detonation performances by Car-Parrinello molecular dynamics (CPMD) simulation, where we construct lithium amidoborane (LAB) doped CL20 as the initial structure. Almost all the interactions between hydrogen and CL20 appear exothermic properties, which indicate LAB increases the enthalpies of detonation. The results suggest explosive mixed with hydrogen-storage material is possibly a new field of energetic compound.     

The Role of Cell Cycle Regulators in Cell Survival—Dual Functions of Cyclin-Dependent Kinase 20 and p21Cip1/Waf1

The mammalian cell cycle is important in controlling normal cell proliferation and the development of various diseases. Cell cycle checkpoints are well regulated by both activators and inhibitors to avoid cell growth disorder and cancerogenesis. Cyclin dependent kinase 20 (CDK20) and p21^Cip1/Waf1 are widely recognized as key regulators of cell cycle checkpoints controlling cell proliferation/growth and involving in developing multiple cancers. Emerging evidence demonstrates that these two cell cycle regulators also play an essential role in promoting cell survival independent of the cell cycle, particularly in those cells with a limited capability of proliferation, such as cardiomyocytes. These findings bring new insights into understanding cytoprotection in these tissues. Here, we summarize the new progress of the studies on these two molecules in regulating cell cycle/growth, and their new roles in cell survival by inhibiting various cell death mechanisms. We also outline their potential implications in cancerogenesis and protection in heart diseases. This information renews the knowledge in molecular natures and cellular functions of these regulators, leading to a better understanding of the pathogenesis of the associated diseases and the discovery of new therapeutic strategies.     

Materials aspects associated with the addition of up to 20 mol% hydrogen into an existing natural gas distribution network

The introduction of hydrogen into the UK natural gas main has been reviewed in terms of how materials within the gas distribution network may be affected by contact with up to 80% Natural Gas (NG)/20 mol% hydrogen blend at up to 2 barg. A range of metallic, polymeric and elastomeric materials in the gas distribution network (GDN) were assessed via a combination of literature review and targeted practical test programmes.The work considered:? The effect of hydrogen on metallic materials identified in the network.? The effect of hydrogen on polymeric materials identified in the network.? The effect of hydrogen exposure on polyethylene pipeline joining and repair techniques (squeeze-off, and socket and saddle electrofusion joints)The experimental work involved soaking materials, under pressure conditions representative of the network, in 100% hydrogen, 20% hydrogen in methane, and 100% methane. For the metal samples, the test programme involved the assessment of hydrogen uptake on the tensile properties. For the polyethylene samples, the test programme looked at the assessment of possible hydrogen absorption/desorption and its effect on electrofusion jointing.The trials concluded that the majority of metallic materials showed no significant deterioration in mechanical (tensile) properties when stored in hydrogen environments compared to those stored in analogous methane or blended gas atmospheres up to 2 barg. Polymeric materials showed no deterioration to efficiency of squeeze-off or collar electrofusion in socket or shoulder orientations following soaking in hydrogen, methane or hydrogen blends.     

综合改进奇异谱分解和奇异值分解的齿轮故障特征提取方法

针对齿轮故障特征微弱，在强背景噪声下难以有效提取的问题，提出了一种改进奇异谱分解（ISSD）结合奇异值分解（SVD）的齿轮故障特征提取方法。针对奇异谱分解（SSD）算法中模态参数需凭经验选取的缺陷，基于散布熵优化算法对SSD算法进行了改进，在得到既定的一组奇异谱分量的基础上，根据峭度值最大准则筛选出了最佳奇异谱分量并进行了SVD处理，采用奇异值能量标准谱自适应地确定了信号重构阶数以还原信号和提高降噪效果。最后对信号进行包络解调以提取齿轮故障特征，将所提方法运用到仿真信号和齿轮实测信号中，并同传统包络谱、SSD包络谱以及经验模态分解结合SVD(EMD-SVD)方法进行了对比分析，结果表明，所提方法的降噪和特征提取效果更佳，能够更加有效地实现齿轮故障的判别。     

考虑黏压效应的风电齿轮热弹流分析

在线接触热弹流润滑的基础上，考虑黏压效应，对风电行星轮系齿轮副进行热弹流润滑数值分析，并采用热弹流润滑数值方法和ISO/TS 6336-22计算了齿轮副的最小油膜厚度、安全系数和闪温温度，并比较各主要啮合点的压力和油膜厚度分布。结果表明：与使用ISO/TS 6336-22计算的结果对比，采用热弹流润滑理论计算的油膜更厚，但安全系数更小；在风电齿轮副热弹流润滑分析时应考虑压力对黏度的影响；风电主齿轮箱齿面因啮合产生油膜厚度随温度增加会迅速降低，最小油膜厚度会随载荷增加迅速减小，因此风电齿轮箱要保证足够的润滑，并尽量避免在高于额定载荷下长时间持续运行