Head-to-head bisbenzazole derivatives as antiproliferative agents: design,synthesis, in vitro activity,and SAR analysis

Molecular Diversity - In the present work, a series of bisbenzazole derivatives were designed and synthesized as antiproliferative agents. The antiproliferative activity of these compounds was...     

Overview of finite elements simulation of temperature profile to estimate properties of materials 3D-printed by laser powder-bed fusion

Laser powder bed fusion(LPBF),like many other additive manufacturing techniques,offers flexibility in design expected to become a disruption to the manufacturing industry.The current cost of LPBF process does not favor a try-anderror way of research,which makes modelling and simulation a field of superior importance in that area of engineering.In this work,various methods used to overcome challenges in modeling at different levels of approximation of LPBF process are reviewed.Recent efforts made towards a reliable and computationally effective model to simulate LPBF process using finite element(FE)codes are presented.A combination of ray-tracing technique,the solution of the radiation transfer equation and absorption measurements has been used to establish an analytical equation,which gives a more accurate approximation of laser energy deposition in powder-substrate configuration.When this new analytical energy deposition model is used in in FE simulation,with other physics carefully set,it enables us to get reliable cooling curves and melt track morphology that agree well with experimental observations.The use of more computationally effective approximation,without explicit topological changes,allows to simulate wider geometries and longer scanning time leading to many applications in real engineering world.Different applications are herein presented including:prediction of printing quality through the simulated overlapping of consecutive melt tracks,simulation of LPBF of a mixture of materials and estimation of martensite inclusion in printed steel.     

Structural characterization of disperse black 9 based Cu (II) complex and investigation of its some properties

We obtained the azo‐imine ligand (2,2′‐[4‐(5‐methoxy salicylidene‐4‐iminophenylazo)phenylimino]diethanol) (HL) and its Cu (II) complex (CuL) from the ethanol solution. The complex Cu(L)₂ was obtained as single crystals from the CH₃OH solution and structurally characterized. The electronic and photoluminescence properties of the ligand and its Cu (II) complex were investigated both in DMF solution and solid state. The oxidation and reduction behaviours of the compounds were studied in the solution and found that the redox processes are irreversible. Thermal studies show that the ligand has higher thermal stability than the CuL complex. Single crystals of the complex were obtained from slow evaporation of a DMF solution of the complex. Crystals of the complex showed a diffraction pattern; however, the structure of the complex was able to be solved.     

Distance of convergence in measure on spaces of measurable functions

Positivity - In this paper we investigate the distance of convergence in measure whenever the measure is not $$\sigma $$ -finite and identify the topological coreflection of this approach structure...     

A novel amperometric hydrogen peroxide biosensor based on pyrrole-PAMAM dendrimer modified gold electrode

Horseradish peroxidase (HRP) was immobilized into an electrochemically prepared copolymer of pyrrole–PAMAM (PAMAM; polyamidoamine) dendrimers for the construction of amperometric hydrogen peroxide biosensor. First, second, and third generation amidoamine–pyrrole dendrons having branched amine periphery and focal pyrrole functionality were synthesized via divergent pathway. Pyrrole dendrimers were covalently attached onto the electrode surface and polymerized by electrochemical copolymerization with pyrrole monomer. The synthesized dendrimers and copolymers have been characterized by FTIR-ATR and NMR. These copolymers have been utilized as conducting films for amperometric hydrogen peroxide sensing. The HRP retains its bioactivity after immobilization into the dendronized pyrrole-copolymers. Amperometric response was measured as a function of concentration of hydrogen peroxide, at fixed potential of +0.35 V vs. Ag/AgCl in a phosphate buffered saline (pH 7.5). The effect of pH and temperature of the medium, storage, and reusability properties were investigated. The results indicate an efficient immobilization of enzyme onto the PAMAM type dendrimer modified surface containing pyrrole monomer, which leads to high enzyme loading, and increased lifetime stability of the electrode.     

Radiation induced copolymerization reactivity of different allyl monomers with styrene

Radiation induced copolymerizations of electron donating such as allyl phenol (AP) and electron withdrawing such as allyl isothiocyanate (AITC) monomers with styrene (Sty) as a comonomer were studied in order to correlate the electronic behavior with copolymerization yield and molecular weight. The allyl monomers and comonomer were mixed in the same mol ratios under Ar atmosphere and copolymerized by using gamma radiation in various absorbed doses (55, 110, 165 kGy) obtained from a Co-60 source. Poly(AP-co-Sty), and poly(AITC-co-Sty) could have been prepared at all of the absorbed doses. The maximum copolymerization yields were calculated as a 16.35 and 6.52 percent for poly(AP-co-Sty) and poly(AITC-co-Sty), respectively. The molecular weights of poly(AP-co-Sty) copolymers are found to be higher in comparison to those of poly(AITC-co-Sty). Both results indicate that, under the same irradiation conditions, AP is more reactive on styrene than AITC is. Thus, the monomers having electron withdrawing (EW) substituents attached to allyl group may result in better copolymerization yield and molecular weight than those with electron donating (ED) substituents. Thermal stabilities of the poly(AP-co-Sty) copolymers are also higher than those of poly(AITC-co-Sty).     

Complexation and transport of amino acid esters and their salts with synthesised chiral novel aza crown ether derivatives

The syntheses of four aza-15-crown-5 ethers bearing phenyl and phenoxymethyl moieties attached to a stereogenic centre on the crown ring were achieved. Macrocycles have exhibited strong binding ability (K_a = 5364–12,969 M^? 1) and modest enantiomeric discrimination towards the enantiomers of amino acid methyl ester salts by UV titration method in CHCl₃ at 25°C. Computer modelling results supported experimental data providing a detailed understanding of the molecular recognition mode between hosts and guests and the likely binding sites involved. Macrocycles were used for chiral discrimination of amino acids in their zwitterionic forms or as potassium and sodium salts in transport experiments across a bulk chloroform membrane with satisfactory selectivity.     

NONLINEAR DYNAMIC ANALYSIS OF A LAMINATED HYBRID COMPOSITE PLATE SUBJECTED TO TIME-DEPENDENT EXTERNAL PULSES

Nonlinear dynamic responses of a laminated hybrid composite plate subjected to time-dependent pulses are investigated. Dynamic equations of the plate are derived by the use of the virtual work principle. The geometric nonlinearity effects are taken into account with the von Kármán large deflection theory of thin plates. Approximate solutions for a clamped plate are assumed for the space domain. The single term approximation functions are selected by considering the nonlinear static deformation of plate obtained using the finite element method. The Galerkin Method is used to obtain the nonlinear differential equations in the time domain and a MATLAB software code is written to solve nonlinear coupled equations by using the Newmark Method. The results of approximate-numerical analysis are obtained and compared with the finite element results. Transient loading conditions considered include blast, sine, rectangular, and triangular pulses. A parametric study is conducted considering the effects of peak pressure, aspect ratio, fiber orientation and thicknesses.     

Chaotic dynamics of resistively coupled DC-driven distinct Josephson junctions and the effects of circuit parameters

Two distinct Josephson junctions (JJs) connected with a constant coupling resistance R_cp are theoretically considered to investigate the overall dynamics below and above the critical current I_c. The circuit model of the device is driven by two DC current sources, I₁ and I₂. Each junction is characterized by a nonlinear resistive–capacitive junction (NRCSJ). Having constructed the circuit model, time-dependent simulations are carried out for a variety of control parameter sets. Common techniques such as bifurcation diagrams, two-dimensional attractors and Lyapunov exponents are applied for the determination of chaotic as well as periodic dynamics of the superconducting junction devices. According to the findings, two states (namely superconducting and ordinary conducting) are determined as functions of the source currents. The chaotic current which flows through R_cp exhibits a very rich behavior depending on the source currents I₁ and I₂ and junction capacitances C₁ and C₂. The device characteristics are summarized by a number of three-dimensional phase diagrams in the parameter space. In addition, for certain parameters, hyper-chaotic cases with two positive Lyapunov exponents are encountered. In contrast to earlier studies claiming the need for a sinusoidal feeding current for generating a chaotic signal, our circuitry can easily generate one via a DC source.