Transition metal complexes of Schiff base ligand based on 4,6-diacetyl resorcinol

Novel Schiff base ligand based on the condensation of 4,6-diacetyl resorcinol with 2-amino-4-methylthiazole in addition to its metal complexes with Cr (III), Mn (II), Fe (III), Co (II), Ni (II), Cu (II), Zn (II) and Cd (II) ions have been synthesized. The structure, electronic properties, and thermal behaviour of Schiff base and its metal complexes have been studied by elemental analysis, mass, ¹H NMR, IR spectra, thermal analysis, and theoretically by density function theory. The ligand acted as mononegative bidentate (NO) ligand and all complexes showed octahedral geometry except Cu (II) showed tetrahedral geometry as indicated from the spectral and magnetic studies. The Cu (II), Zn (II) and Cd (II) complexes were non electrolytes while the rest of the complexes were electrolytes. The antibacterial plus anticancer activities of the parent Schiff base and its metal complexes were screened. In addition, the molecular docking study was performed to explore the possible ways for binding to Crystal Structure of Human Astrovirus capsid protein (5ibv) receptor.     

Enhanced electronic and nonlinear optical responses of C24N24 cavernous nitride fullerene by decoration with first row transition metals; A computational investigation

The electronic (energy gap and work function) as well as electrical properties (dipole moment, polarizability, and first hyperpolarizabilities) of the first-row transition metals decorated C₂₄N₂₄ cavernous nitride fullerene were explored using DFT calculations. The transition metals are decorated at N4 cavity of C₂₄N₂₄ fullerene. According to our spin polarized computations, the most stable spin state monotonically increases to sextet for Mn@C₂₄N₂₄ and thereafter dropped off gradually to singlet state for Zn@C₂₄N₂₄ system. The findings demonstrate that transition metals can remarkably decrease the HOMO-LUMO energy gap and work function values up to 63% and 21% of bare C₂₄N₂₄, respectively. As can be seen, when the Sc and Ti metals are located above the N4 cavity of fullerene, systems of enhanced static hyperpolarizabilities (β₀) are delivered. These findings might provide an effective strategy to design high performance eletcro-optical materials based on carbon- nitride fullerene.     

Statistical structure of the velocity field in cavitating flow around a 2D hydrofoil

Transformation of flow turbulence structure with cavitation occurrence, determination of the flow conditions favorable for nucleation of cavitation bubbles, influence of the statistical structure of turbulence on this process and the inverse effect of cavitation on the flow dynamics are challenging problems in modern fluid mechanics. The paper reports on the results of statistical processing of the velocity fields measured by a PIV technique in cavitating flow over a 2D symmetric hydrofoil for four flow conditions, starting from a cavitation-free regime and finishing by unsteady cloud cavitation. We analyze basic information on the statistical structure of velocity fluctuations in the form of histograms and Q-Q diagrams along with profiles of the mean velocity and turbulent kinetic energy. The research reveals that the flow turbulence pattern and distributions of turbulent fluctuations change significantly with the cavitation development. Under unsteady cloud cavitation conditions, the probability density function of the fluctuating velocity has a two-mode distribution, which indicates switching of two alternating flow conditions in a region above the hydrofoil aft part due to periodic passing of cavitation clouds. Behaviors of the mean and most probable velocities unexpectedly appear to be different with a monotonous increase of the incoming flow velocity. This finding must be caused by modification of the skewness coefficient of the fluctuating velocity.     

Stability of Multiplier Ideal Sheaves

Chinese Annals of Mathematics, Series B - In the present article, the authors find and establish stability of multiplier ideal sheaves, which is more general than strong openness.     

化妆品中的肽化学*

随着科技进步和产业提升,人们不断从本源上追求美、从长效上保持美、从机制上激发美。众多肽类化合物,已被证实在人体内具有独特的生物学促进或抑制作用,也因此被广泛应用于美妆产品。以化妆品中生物活性肽的不同功效为主线,对其化学结构进行分析并阐述其中的生理作用机制。     

人行荷载下梁式结构振动分析的DQ-IQ混合法

为了评估人行荷载作用下梁式结构的振动舒适度，利用微分求积-积分求积，即DQ-IQ混合法求解移动荷载作用下梁的振动响应。人行荷载作用下梁式结构的振动控制方程是含Dirac函数的偏微分方程，首先利用IQ法离散与时间相关的Dirac函数，再利用DQ法把控制方程转化为二阶常系数微分方程，最后利用Newmark算法求解微分方程。以某钢结构连廊为例，利用DQ法计算结构自振频率并与解析解进行对比，结果验证了节点选取和边界条件施加的合理性，再利用DQ-IQ混合法和振型叠加法分别计算了不同行走步频下连廊的响应，计算结果表明，DQ-IQ混合法具有较高的可靠性和精确性。DQ-IQ混合法也可以推广到诸如车辆荷载作用下路面或桥梁的动力响应等其他移动荷载下结构的振动分析。     

On the Lipschitz equivalence of self‐affine sets

Recently Lipschitz equivalence of self‐similar sets on has been studied extensively in the literature. However for self‐affine sets the problem is more awkward and there are very few results. In this paper, we introduce a w‐Lipschitz equivalence by repacing the Euclidean norm with a pseudo‐norm w. Under the open set condition, we prove that any two totally disconnected integral self‐affine sets with a common matrix are w‐Lipschitz equivalent if and only if their digit sets have equal cardinality. The main methods used are the technique of pseudo‐norm and Gromov hyperbolic graph theory on iterated function systems.     

A layer potential analysis for transmission problems for Brinkman‐type systems in Lipschitz domains in

The aim of this paper is to establish a well‐posedness result for a boundary value problem of transmission‐type for the standard and generalized Brinkman systems in two Lipschitz domains in , the former being bounded, and the latter, its complement in . As a first step, we establish a well‐posedness result for a transmission problem for the standard Brinkman systems on complementary Lipschitz domains in by making use of the Potential theory developed for such a system. As a second step, we prove our desired result (in L²‐based Sobolev spaces) by using a method based on Fredholm operator theory and the well‐posedness result from the previous step.     

A Flexible Framework for Cubic Regularization Algorithms for Nonconvex Optimization in Function Space

We propose a cubic regularization algorithm that is constructed to deal with nonconvex minimization problems in function space. It allows for a flexible choice of the regularization term and thus accounts for the fact that in such problems one often has to deal with more than one norm. Global and local convergence results are established in a general framework.