Ground state solutions for Klein–Gordon–Maxwell system with steep potential well

In this paper, we study the following Klein–Gordon–Maxwell system $\left\{\begin{array}{c}-\Delta u+(\lambda a\left(x\right)+1)u-(2\omega +\varphi )\varphi u=f(x,u),\mathrm{in}{\mathbb{R}}^3,\hfill \\ -\Delta \varphi =-(\omega +\varphi )u^2,\mathrm{in}{\mathbb{R}}^3.\hfill \end{array}\right.$Using variational methods, we obtain the existence of ground state solutions under some appropriate assumptions on $a$ and $f$.     

Inhibition effect of butan-1-ol on the corrosion behavior of austenitic stainless steel (Type 304) in dilute sulfuric acid

The electrochemical behavior of austenitic stainless steel (Type 304) in 3 M sulfuric acid with 3.5% recrystallized sodium chloride at specific concentrations of butan-1-ol was investigated with the aid of potentiodynamic polarization, open circuit measurement and weight loss technique. Butan-1-ol effectively inhibited the steel corrosion with a maximum inhibition efficiency of 78.7% from weight-loss analysis and 80.9% from potentiodynamic polarization test at highest concentration studied. Adsorption of the compound obeyed the Freundlich isotherm. Thermodynamic calculations reveal physiochemical interactions and spontaneous adsorption mechanism. Surface characterizations showed the absence of corrosion products and topographic modifications of the steel. Statistical analysis depicts the overwhelming influence and statistical significance of inhibitor concentration on the inhibition performance.     

Synthesis and Structures of Arene Ruthenium (II)–NHC Complexes: Efficient Catalytic α‐alkylation of ketones via Hydrogen Auto Transfer Reaction

A panel of six new arene Ru (II)‐NHC complexes 2a‐f , (NHC = 1,3‐diethyl‐(5,6‐dimethyl)benzimidazolin‐2‐ylidene 1a , 1,3‐dicyclohexylmethyl‐(5,6‐dimethyl)benzimidazolin‐2‐ylidene 1b and 1,3‐dibenzyl‐(5,6‐dimethyl)benzimidazolin‐2‐ylidene 1c ) were synthesized from the transmetallation reaction of Ag‐NHC with [(η⁶‐arene)RuCl₂]₂ and characterized. The ruthenium (II)‐NHC complexes 2a‐f were developed as effective catalysts for α‐alkylation of ketones and synthesis of bioactive quinoline using primary/amino alcohols as coupling partners respectively. The reactions were performed with 0.5 mol% catalyst load in 8 h under aerobic condition and the maximum yield was up to 96%. Besides, the different alkyl wingtips on NHC and arene moieties were studied to differentiate the catalytic robustness of the complexes in the transformations.     

NUMERICAL SIMULATION OF FIBROBLAST DUROTAXIS MIGRATION INDUCED BY STIFFNESS GRADIENT OF SUBSTRATE1)

建立了一种细胞趋硬性迁移的理论模型和有限元分析框架,为连续变刚度人工基质的试验设计提供理论依据。考虑了细胞体的黏弹性属性,以及细胞与基质间的配受体动态反应过程,并以配受体合成时间为时间步长,将细胞运动方程化为静力学形式进行求解。对有限元过程提出一种动约束,便于消除其结构矩阵的奇异性。结果表明,模型能够模拟黏着斑内部力的快速波动现象,细胞的运动速度与观测数据一致,可有效模拟20,h以上的长时程问题。     

A MODAL TESTING METHOD FOR CANTILEVER BEAM1)

基于欧拉-伯努利梁理论得到悬臂梁自由振动的振型函数。通过数值计算得出实验用的悬臂梁前五阶振型的节点位置及其与梁长的比值。考虑传感器对悬臂梁固有频率的影响,建立梁-传感器模型进行仿真分析并得出悬臂梁前五阶固有频率。基于节点位置和测点位置,在实验中选择激励点。将具体实验的结果与梁-传感器仿真模型结果进行对比,通过前五阶固有频率的误差分析,发现仿真分析结果与实验结果误差最高为 1.3%。研究完整地叙述了悬臂梁的模态测试流程,可为工程技术人员的模态测试起一定的指导作用。     

Validating additive correction schemes against gradient-based extrapolations

The use of additive correction schemes to obtain structures and vibrational frequencies of increasingly larger molecules is becoming more common. Such approaches, based on the cubic extrapolation formula applied directly to the quantity of interest, have been successfully validated only at the highest levels of computational accuracy: for coupled cluster methods with comparably large basis sets. Here, a systematic validation of geometries and vibrational frequencies is carried out, including more affordable and relevant levels of theory, such as the Møller-Plesset perturbation theory applied with smaller basis sets. Comparisons of such additive schemes against the more rigorous gradient-based extrapolation are presented. The cbs () routine of the open-source quantum-chemistry package Psi4 has been extended for this purpose. The results confirm that geometries and frequencies of covalently bound species obtained with additive correction schemes are in an excellent agreement with the results of gradient-based extrapolations. However, when applied to systems involving noncovalent interactions, the errors due to such schemes are significantly larger. In general, we propose the application of gradient-based extrapolations, as they incur no extra cost compared to additive schemes.     

Reversible C=C Bond Activation by an Intramolecularly Coordinated Antimony(I) Compound

The reaction of N,C,N-chelated stibinidene ArSb ( 1 ) (Ar=C₆H₃-2,6-(CH=NtBu)₂) with selected N-alkyl/aryl-maleimides RN(C(O)CH)₂ (R=Me, tBu, Ph) gave the addition products with bridged bicyclic [2.2.1] structure containing an antimony atom at the bridgehead position, fused with a 6-membered benzene and a 5-membered N-alkyl/aryl-pyrrolidine ring. These compounds were completely characterized. More importantly, additional studies showed that these reactions are reversible in solution, thereby representing an unprecedented reversible activation of a C=C bond by an antimony(I) compound.     

Synthesis and Electronic Properties of Novel 5,7-Diazapentacene Derivatives

A route to the synthesis of novel 5,7-diazapentacenes and some preliminary studies on their properties is reported. A single crystal X-ray diffraction study of the dihexyl derivative showed it had formed a dimer during the analysis. The materials possess lower lying frontier orbitals than pentacene and may have potential applications in organic electronic devices. This synthetic method may be applicable to the synthesis of other azaacenes.     

Oxidative dehydrogenation of n-octane over a vanadium–magnesium oxide catalyst: Influence of the gas hourly space velocity

Oxidative dehydrogenation (ODH) of n-octane was carried out over a vanadium–magnesium oxide catalyst in a continuous flow fixed bed reactor. The catalyst was characterized by ICP–OES, powder XRD and SEM. The catalytic tests were carried out at different gas hourly space velocities (GHSVs), viz. 4000, 6000, 8000, and 10,000 h^?1. The best selectivity for octenes was obtained at the GHSV of 8000 h^?1, while that for C8 aromatics was attained at the GHSV of 6000 h^?1 at high temperatures (500 and 550 °C). The catalytic testing at the GHSV of 10,000 h^?1 showed the lowest activity, while that at the GHSV of 4000 h^?1 consistently showed the lowest ODH selectivity. Generally, the best ODH performance was obtained by the catalytic testing at the GHSVs of 6000 and 8000 h^?1. No phasic changes were observed after the catalytic testing.