In Situ Grignard Metalation Method for the Synthesis of Hauser Bases

The in situ Grignard Metalation Method (iGMM) is a straightforward one-pot procedure to quickly produce multigram amounts of Hauser bases R₂N-MgBr which are valuable and vastly used metalation reagents and novel electrolytes for magnesium batteries. During addition of bromoethane to a suspension of Mg metal and secondary amine at room temperature in an ethereal solvent, a smooth reaction yields R₂N-MgBr under evolution of ethane within a few hours. A Schlenk equilibrium is operative, interconverting the Hauser bases into their solvated homoleptic congeners Mg(NR₂)₂ and MgBr₂ depending on the solvent. Scope and preconditions are studied, and side reactions limiting the yield have been investigated. DOSY NMR experiments and X-ray crystal structures of characteristic examples clarify aggregation in solution and the solid state.     

Combined in Silico and in Vitro Approaches To Uncover the Oxidation and Schiff Base Reaction of Baicalein as an Inhibitor of Amyloid Protein Aggregation

The oxidized form of baicalein ( BA ) leads to covalent binding with human amyloid proteins. Such adducts hamper the aggregation and deposition of fibrils. A novel reaction of BA with pentylamine ( PA ) as a model for the lysine side chain is described. This is the first study addressing the atomistic details of a Schiff base reaction with the trihydroxylated moiety of BA . Nuclear magnetic resonance and mass spectrometry approaches clearly indicate the formation of dehydrobaicalein in solution as well as its condensation with PA under aerobic conditions, yielding regioselectively C6-substituted products. The combined results suggest initial ion pair formation between BA and PA , followed by a redox chain reaction: the initiation by oxygen/air; an o-quinone-based chain involving oxidation and reduction steps; and extra off-chain formation of a doubly oxidized product. These mechanistic details support the anti-amyloid activity of BA and endorse its trihydroxyphenyl moiety as a pharmacophore for drug-design studies.     

Nonlinear Longitudinal Vibrations of Transversally Polarized Piezoceramics: Experiments and Modeling

Nonlinear behavior of piezoceramics at strong electric fields is a well-known phenomenon and is described by various hysteresis curves. On the other hand, nonlinear vibration behavior of piezoceramics at weak electric fields has recently been attracting considerable attention. Ultrasonic motors (USM) utilize the piezoceramics at relatively weak electric fields near the resonance. The consistent efforts to improve the performance of these motors has led to a detailed investigation of their nonlinear behavior. Typical nonlinear dynamic effects can be observed, even if only the stator is experimentally investigated. At weak electric fields, the vibration behavior of piezoceramics is usually described by constitutive relations linearized around an operating point. However, in experiments at weak electric fields with longitudinal vibrations of piezoceramic rods, a typical nonlinear vibration behavior similar to that of the USM-stator is observed at near-resonance frequency excitations. The observed behavior is that of a softening Duffing-oscillator, including jump phenomena and multiple stable amplitude responses at the same excitation frequency and voltage. Other observed phenomena are the decrease of normalized amplitude responses with increasing excitation voltage and the presence of superharmonics in spectra. In this paper, we have attempted to model the nonlinear behavior using higher order (quadratic and cubic) conservative and dissipative terms in the constitutive equations. Hamilton's principle and the Ritz method is used to obtain the equation of motion that is solved using perturbation techniques. Using this solution, nonlinear parameters can be fitted from the experimental data. As an alternative approach, the partial differential equation is directly solved using perturbation techniques. The results of these two different approaches are compared.     

一类指数型间断函数的嵌入非连续等参有限元法

在嵌入非连续有限元的基本思想下,提出一类附加位移形函数———指数型间断函数,来模拟由于非连续结构,如裂纹和节理,所导致的位移不连续规律,该附加函数是以到间断处的垂直距离为自变量,且随距离的增大而呈指数衰减的函数.指数型间断函数具有在数学上的便于积分和求导的优点,且比阶梯间断函数更能反映实际破裂后的变形情况.本文用弱解形式推导了嵌入非连续有限元格式,编制了二维4节点和三维8节点的嵌入非连续等参有限元程序,并分别给出了算例.算例表明在模拟裂纹追踪时,指数型间断函数的嵌入非连续等参有限元法可行且有效.     

关于具有激波的流动的稳定性

<正> 1、引言 流体运动总是同时受动力学和热力学规律的约制,通常处理流动问题时这两方面的考虑也总是交织在一起,例如,为了定义描述流动现象的诸流动变量,首先要假定每个流体质点微团是处于热力学平衡态,即假定流动系统满足“局域热平衡”条件。这样才可以定义各“点”的压力、密度、熵等变量。由于流动系统同时又是一个热力学系统,因此它的     

SYSTEM OF VECTOR QUASI-EQUILIBRIUM PROBLEMS AND ITS APPLICATIONS

A new system of vector quasi-equilibrium problems is introduced and its existence of solution is proved. As applications, some existence results of weak Pareto equilibrium for both constrained multicriteria games and multicriteria games without constrained correspondences are also shown.     

具确定弱区域正交各向异性薄板的弹塑性屈曲分析

基于弹塑性力学和损伤理论,建立了一个与应力球张量有关的具损伤正交各向异性材料的混合硬化屈服准则,该准则无量纲化后与各向同性材料的Mises准则同构,在此基础上,建立了正交各向异性材料的增量型和全量型弹塑性损伤本构方程,并以具确定弱区域正交各向异性矩形薄板为例,根据屈曲时的能量准则和全量理论,以等效塑性应变为内变量,对其弹塑性屈曲问题进行了分析,讨论了几何参数和弱区域对正交各向异性薄板弹塑性屈曲临界应力的影响.     

岩土材料应变局部化的有限元分析方法

采用有限单元法分析岩土材料的应变局部化时经常会遇到单元尺寸敏感性问题和网格锁定问题。自适应网格技术能够有效地解决网格锁定问题,但仍然无法克服计算结果对单元尺寸的依赖性,尽管在一维情况下被证明是可行的。复合体理论(均匀化理论)和弱非连续有限元方法可以成功地解决岩土材料的单元尺寸敏感性问题,在一维情况下两类方法实际上是一致的。本文针对岩土材料应变局部化的有限元新技术所存在的若干问题进行了详细的讨论,并给出了有关算例。     

Nonlinear Disturbances and Weak Discontinuities in a Supersonic Boundary Layer

The processes of wave disturbance propagation in a supersonic boundary layer with self-induced pressure [1–4] are analyzed. The application of a new mathematical apparatus, namely, the theory of characteristics for systems of differential equations with operator coefficients [5–8], makes it possible to obtain generalized characteristics of the discrete and continuous spectra of the governing system of equations. It is shown that the discontinuities in the derivatives of the solution of the boundary layer equations are concentrated on the generalized characteristics. It is established that in the process of flow evolution the amplitude of the weak discontinuity in the derivatives may increase without bound, which indicates the possibility of breaking of nonlinear waves traveling in the boundary layer.     

Parameter accuracy analysis of weak-value amplification process in the presence of noise

We theoretically introduce the statistical uncertainty of photon number and phase error to discuss the precision of parameters to be measured based on weak measurements. When the photon counting scheme is used, we discuss the relative accuracy of the system in the presence of phase error by using the orthogonal and nonorthogonal pre-and postselected states, respectively. When using the measurement scheme of pointer shift, we discuss the measurement accuracy in the presence of phase error, pointer resolution, and statistical uncertainty. These results give a guide way to get the smallest relative precision and deepen our understanding about weak measurement.