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).     

Cetyl‐alcohol‐reinforced hollow fiber solid/liquid‐phase microextraction and HPLC–DAD analysis of ezetimibe and simvastatin in human plasma and urine

A new cetyl‐alcohol‐reinforced hollow fiber solid/liquid‐phase microextraction (CA–HF–SLPME) followed by high‐performance liquid chromatography–diode array detection (HPLC–DAD) method was developed for simultaneous determination of ezetimibe and simvastatin in human plasma and urine samples. To prepare the CA–HF–SLPME device, the cetyl‐alcohol was immobilized into the pores of a 2.5 cm hollow fiber micro‐tube and the lumen of the micro‐tube was filled with 1‐octanol with the two ends sealed. Afterwards, the prepared device was introduced into 10 mL of the sample solution containing the analytes with agitation. Under optimized conditions, calibration curves plotted in spiked plasma and urine samples were linear in the ranges of 0.363–25/0.49–25 μg L^?1 for ezetimibe/simvastatin and 0.193–25/0.312–25 μg L^?1 for ezetimibe/simvastatin in plasma and urine samples, respectively. The limit of detection was 0.109/0.174 μg L^?1 for ezetimibe/simvastatin in plasma and 0.058/0.093 μg L^?1 for ezetimibe/simvastatin in urine. As a potential application, the proposed method was applied to determine the concentration of selected analytes in patient plasma and urine samples after medication and satisfactory results were achieved. In comparison with reference methods, the CA–HF–SLPME–HPLC–DAD method demonstrates considerable potential in the biopharmaceutical analysis of selected drugs.     

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。     

The recent progress of functionally graded CNT reinforced composites and structures

In the last decade,the functionally graded carbon nanotube reinforced composites(FG-CNTRCs)have attracted considerable interest due to their excellent mechanical properties,and the structures made of FG-CNTRCs have found broad potential applications in aerospace,civil and ocean engineering,automotive industry,and smart structures.Here we review the literature regarding the mechanical analysis of bulk CNTR nanocomposites and FG-CNTRC structures,aiming to provide a clear picture of the mechanical modeling and properties of FG-CNTRCs as well as their composite structures.The review is organized as follows:(1)a brief introduction to the functionally graded materials(FGM),CNTRCs and FG-CNTRCs;(2)a literature review of the mechanical modeling methodologies and properties of bulk CNTRCs;(3)a detailed discussion on the mechanical behaviors of FG-CNTRCs;and(4)conclusions together with a suggestion of future research trends.     

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.     

超声动载荷下三维随机骨料混凝土的损伤

混凝土是一种由粗骨料与水泥砂浆组成的非均质复合材料。本研究利用APDL语言程序编写三维水泥混凝土骨料随机投放程序并导入ABAQUS中,同时赋予各相材料塑性损伤本构关系来研究混凝土动态加载下的破坏规律,运用超声波在混凝土破碎中的作用机理对混凝土动态损伤破坏过程进行模拟研究。结果表明:随着超声动态载荷的增大,粗骨料体积分数为40%的混凝土始终能够承受最大应力载荷;随着超声应力波幅值增大,混凝土在动载荷下的损伤值逐渐增大,且粗骨料体积分数为40%时,其抗损伤能力最优;当粗骨料最大粒径逐渐增大,或者当粗骨料最小粒径增大,混凝土级配不合理导致性能不稳定,更易损伤破坏。     

不同材料弹体超声速侵彻钢筋混凝土靶的结构破坏对比实验

设计了超声速钻地结构弹,采用203 mm口径的火炮,开展了25 kg量级弹体在1100~1300 m/s速度范围内侵彻钢筋混凝土靶的实验研究,应用数值仿真对弹体侵彻钢筋混凝土靶的过程进行了模拟计算。基于实验和仿真结果,对超声速侵彻条件下两种金属材料弹体的结构响应、质量损失等问题进行了分析。结果表明:在超声速侵彻钢筋混凝土靶的过程中,两种金属材料的弹体结构变形破坏形式主要为头部侵蚀和侧壁磨蚀,头部侵蚀量的大小与弹体壳体材料有关,高强度G50钢材料更适合用于1200 m/s速度量级的超声速侵彻环境。对出现的“径缩”现象作了初步分析,并对今后工程应用的结构弹体设计提出了指导意见。     

含孔隙混凝土二维细观建模方法研究

根据混凝土的细观组成和结构特点,对传统二维建模方法加以继承与改进,提出了一种高效的分步入侵判定算法.将孔隙直观地反映在模型中,建立了不同的含孔隙混凝土细观模型.对含圆形、椭圆形、多边形骨料与圆形、椭圆形孔隙的混凝土标准试件分别进行了建模研究,结果表明本文的算法具有较强适用性.同时,通过对不同面积率与多种形状骨料/孔隙混凝土的大量建模进一步验证了该算法的效率.模拟了混凝土试件在单轴压缩下的准静态力学性能,分析了混凝土内部孔隙对其裂纹扩展的主要路径、破坏模式以及宏观力学性能的显著影响.     

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．