Polymer complexes. LXXVI. Synthesis,characterization, CT‐DNA binding,molecular docking and thermal studies of sulfoxine polymer complexes

Novel polymer complexes of 8‐hydroxyquinoline‐5‐sulfonic acid hydrate ( H ₂ L ) with Cu²⁺, Co²⁺ and Ni²⁺ chloride were prepared and characterized. Microanalysis, magnetic susceptibility, IR spectra, electron spin resonance, mass spectra, X‐ray, molar conductance, thermal, and UV–Vis spectra studies have been used to confirm the structure of the prepared polymer complexes. The molecular and electronic structures of the hydrogen bond conformers for ligand ( H ₂ L ) were optimized theoretically and the quantum chemical parameters were calculated. On the basis of elemental and IR data, the chemical structure of metal chelates commensurate that the tri‐dentate (H₂L) coordinate to metal chlorides through oxygen atom of phenolic OH and oxygen atom of SO₃‐H group by replacing H atoms and nitrogen of the quinoline ring. The magnetic studies suggested the octahedral geometrical structure for all produced polymer complexes with general formula {[ML (OH₂)₃] .xH₂O}_n (M = Cu²⁺, x = 1.; Co²⁺, x = 2 and Ni²⁺, x = 2) in molar ratio (1:1). Coats–Redfern and Horowitz–Metzger methods have been used for calculating the activation thermodynamic parameters of the thermal decomposition for H ₂ L and its polymer complexes. The interaction between H ₂ L and its transition metal complexes with the calf thymus DNA (CT‐DNA) was determined by UV–Vis spectra. Binding efficiency between H ₂ L with the receptors of the prostate cancer (PDB code 2Q7L Hormone) and the breast cancer (PDB code 1JNX Gene regulation) was studied by molecular docking. The inhibition behaviour of H ₂ L against the corrosion of carbon steel / HCl (2 M) solution was studied by weight loss, Tafel polarisation, electrochemical impedance spectroscopy (EIS) and electrochemical frequency modulation (EFM) techniques. The adsorption isotherm was found to be Friendlish isotherm. The morphology of inhibited carbon steel? s surface was studied using scanning electron microscope (SEM) and energy dispersive X‐ray spectroscopy (EDS).     

RAFM钢TIG焊和电子束焊疲劳性能实验和分析模拟

利用ANSYS 对低活化铁素体马氏体(RAFM)钢进行非熔化极气体保护焊(TIG 焊)与电子束焊的抗疲劳模拟分析，再利用SDS200 电液伺服疲劳试验机对TIG 焊和电子束焊的两种RAFM 钢试件进行实验。通过施加相同梯度负荷对TIG 焊和电子束焊试件进行焊缝的疲劳性能实验。与实验结果对比分析，结果显示电子束焊优于 TIG 焊，但在一定负载下可以用TIG 焊代替电子束焊。     

组合式十字形钢管混凝土柱偏压力学性能试验研究

设计了一种由槽钢和方形钢管拼焊形成的组合式十字形钢管混凝土柱,将其灵活地布置在框架结构的中节点,可使柱肢与填充墙等厚,有效地提高建筑使用面积。共制作了6根组合式十字形钢管混凝土柱试件,考虑了偏心距和长细比两种变化参数。通过对其进行偏心受压试验研究,考察了试件的破坏形态和荷载-挠度曲线,并分析了其在不同偏心距和长细比下的荷载-应变曲线发展规律。结果表明:组合式十字形钢管混凝土柱中钢管和槽钢对混凝土的约束作用强,表现为较高的延性系数;偏心距或长细比越大,试件的极限承载力及弹性刚度越小,且偏心距越大延性越好,长细比对延性影响不显著;在受拉侧纵向应变基本上符合平截面假定,在受压侧纵向应变不符合平截面假定。     

Role of the Bridge in Photoinduced Electron Transfer in Porphyrin–Fullerene Dyads

The role of π‐conjugated molecular bridges in through‐space and through‐bond electron transfer is studied by comparing two porphyrin–fullerene donor–acceptor (D–A) dyads. One dyad, ZnP–Ph–C₆₀ (ZnP=zinc porphyrin), incorporates a phenyl bridge between D and A and behaves very similarly to analogous dyads studied previously. The second dyad, ZnP–EDOTV–C₆₀, introduces an additional 3,4‐ethylenedioxythienylvinylene (EDOTV) unit into the conjugated bridge, which increases the distance between D and A, but, at the same time, provides increased electronic communication between them. Two essential outcomes that result from the introduction of the EDOTV unit in the bridge are as follows: 1) faster charge recombination, which indicates enhanced electronic coupling between the charge‐separated and ground electronic states; and 2) the disappearance of the intramolecular exciplex, which mediates photoinduced charge separation in the ZnP–Ph–C₆₀ dyad. The latter can be interpreted as a gradual decrease in electronic coupling between locally excited singlet states of D and A when introducing the EDOTV unit into the D–A bridge.     

Experimental and computational studies of naphthyridine derivatives as corrosion inhibitor for N80 steel in 15% hydrochloric acid

The inhibition effect of three naphthyridine derivatives namely 2-amino-4-(4-methoxyphenyl)-1,8-naphthyridine-3-carbonitrile (ANC-1), 2-amino-4-(4-methylphenyl)-1,8-naphthyridine-3-carbonitrile (ANC-2) and 2-amino-4-(3-nitrophenyl)-1,8-naphthyridine-3-carbonitrile (ANC-3) as corrosion inhibitors for N80 steel in 15% HCl by using gravimetric, electrochemical techniques (EIS and potentiodynamic polarization), SEM, EDX and quantum chemical calculation. The order of inhibition efficiency is ANC-1>ANC-2>ANC-3. Potentiodynamic polarization reveals that these inhibitors are mixed type with predominant cathodic control. Studied inhibitors obey the Langmuir adsorption isotherm. The quantum calculation is in good agreement with experimental results.     

基于SWT方法的钢绞线索微动疲劳特性分析

为得到钢绞线索丝间接触区的应力场分布并预测微动疲劳裂纹萌生位置和微动疲劳寿命，本文利用参数化方法建立了精细化的钢绞线拉索有限元模型，包括整索模型和不同层丝间接触区域的局部精细化子模型．分析了钢绞线索在两种交变荷载工况下的应力场变化情况，并基于多轴疲劳SWT(Smith-Watson-Topper)临界平面法进行了疲劳特性分析和疲劳寿命预测．主要结论如下：钢绞线索内接触区边缘处的微动幅值较大，中心处几乎没有相对滑动，微动疲劳的初始裂纹萌生点位于接触区域边缘；经不同区域子模型分析比较，在轴向循环荷载作用下，外层钢丝的接触区域比内层钢丝更易发生微动疲劳损伤；在横向位移循环荷载作用下，同层钢丝因位置角度不同而产生了较大的疲劳特性差异，且相比轴向循环拉伸，该工况下最不利单丝的微动疲劳寿命更低；与非接触区域相比，接触区的疲劳寿命大幅降低，微动现象对钢绞线索的抗疲劳性能有明显降低作用．     

高速铁路连续箱型梁桥的动力响应与减振分析

根据列车具体的轴距和轴重,建立了和谐号动车组CRH380AL型列车简化模型;对高速铁路两跨连续梁桥采用多自由度欧拉伯努利梁单元进行主梁的模拟,并将液体黏滞阻尼器模拟为有限元阻尼单元;采用Newmark直接积分方法求解了高速列车作用下的连续梁桥运动方程,数值分析了列车车速以及液体黏滞阻尼器的阻尼系数对于高速铁路连续梁桥振动响应的影响。结果表明:黏滞阻尼器对于桥梁具有明显的减振效果,阻尼力不仅与阻尼系数有关还与列车时速有关;同一黏滞阻尼器条件下,桥梁的最大加速度并不随列车速度的增加而单调增加,而是在某些特定列车车速下桥梁的最大加速度出现了峰值,且随着黏滞阻尼器的阻尼系数增大,桥梁振动响应峰值处的最大加速度减幅不同;同一列车时速的条件下,桥梁的减振效果并不是随着阻尼系数的递增呈正比递增,而是随着阻尼系数的增大,阻尼器的减振效果增幅在减小。     

波形钢板-UHPC组合桥面板结构截面优化

对实腹式波形顶板-UHPC(超高性能混凝土)组合桥面板进行了改进, 采用空腹式结构建立波形钢板-UHPC组合桥面板有限元模型, 研究UHPC层厚度、波形钢板厚度、波形长度、下缘板宽度和波形高度等截面参数变化对组合桥面板受力特性的影响, 并确定其合理取值范围. 在此基础上, 通过理想点法对参数组合进行优化, 得到合理的参数匹配. 研究结果表明 相较于实腹式组合桥面板, 优化后的组合桥面板自重减小35%, 钢板弯折处应力减小16%; 相较于正交异性钢桥面板, 桥面板用钢量减小7%, 顶板与U肋连接位置应力减小47%.     

Scattering of Tollmien-Schlichting waves by localized roughness in transonic boundary layers

The laminar-turbulent transition in boundary-layer flows is often affected by wall imperfections, because the latter may interact with either the freestream perturbations or the oncoming boundary-layer instability modes, leading to a modification of the accumulation of the normal modes. The present paper particularly focuses on the latter mechanism in a transonic boundary layer, namely, the effect of a two-dimensional(2 D) roughness element on the oncoming Tollmien-Schlichting(T-S) modes when they propagate through the region of the rapid mean-flow distortion induced by the roughness. The wave scattering is analyzed by adapting the local scattering theory developed for subsonic boundary layers(WU, X. S. and DONG, M. A local scattering theory for the effects of isolated roughness on boundary-layer instability and transition: transmission coefficient as an eigenvalue. Journal of Fluid Mechanics, 794, 68–108(2006)) to the transonic regime, and a transmission coefficient is introduced to characterize the effect of the roughness. In the sub-transonic regime, in which the Mach number is close to, but less than, 1, the scattering system reduces to an eigenvalue problem with the transmission coefficient being the eigenvalue; while in the super-transonic regime, in which the Mach number is slightly greater than 1, the scattering system becomes a high-dimensional group of linear equations with the transmission coefficient being solved afterward. In the largeReynolds-number asymptotic theory, the K′arm′an-Guderley parameter is introduced to quantify the effect of the Mach number. A systematical parametric study is carried out,and the dependence of the transmission coefficient on the roughness shape, the frequency of the oncoming mode, and the K′arm′an-Guderley parameter is provided.     

钢渣与污泥协同资源化研究进展

钢渣和污泥作为传统大宗固体废弃物,始终面临处理成本高、回收利用率低等问题,但其内部含有大量可利用物质,具有较高的资源化利用价值,现已成为国内外的研究热点。为了提高钢渣与污泥绿色、高效、协同资源化利用,综述了近年来国内外钢渣在建筑、道路、水处理、农业等领域资源化利用的研究进展,立足固废无害化、减量化,从钢渣和污泥的资源化进行分析与总结,指出不同研究方法的特点和优劣,为固废资源化利用提供参考。并基于我国发展现状对钢渣与污泥资源化利用的未来发展方向进行了展望,以期为固废处理行业的良性发展提供一定的理论支撑。