Synthesis of 2-(2,3,4-trimethoxyphenyl)-1-(substituted-phenyl)acrylonitriles: in vitro anticancer activity against MCF-7, PC-3 and A2780 cancer cell lines

A series of 2-(2,3,4-trimethoxyphenyl)-1-(substituted-phenyl)acrylonitrile (2–9) were designed and synthesized to develop new cancer drugs. The structures of synthesized compounds 2–9 were described by using melting point, mass (MALDI-TOF-MS), FT-IR, elemental analysis, ¹H, ¹³C, ¹³C-APT and 2D NMR spectroscopy. The in vitro anticancer activities of 2–9 against human breast cancer (MCF-7), human prostate cancer (PC-3) and human ovarian cancer cells (A2780) were investigated by [3-(4,5-dimethylthiazol)-2-yl]-2,5-diphenyl-2H-tetrazolium bromide] (MTT) assay method. Additionally, the LogIC₅₀ values of these compounds on A2780, MCF-7 and PC-3 cell lines were calculated by using inhibition % values by the GraphPad Prism 6 program on a computer. The results indicated that these compounds have high anticancer activity against MCF-7, PC-3 and A2780 cell lines (especially A2780 cell lines, p < 0.05).     

The shooting S-estimator for robust regression

To perform multiple regression, the least squares estimator is commonly used. However, this estimator is not robust to outliers. Therefore, robust methods such as S-estimation have been proposed. These estimators flag any observation with a large residual as an outlier and downweight it in the further procedure. However, a large residual may be caused by an outlier in only one single predictor variable, and downweighting the complete observation results in a loss of information. Therefore, we propose the shooting S-estimator, a regression estimator that is especially designed for situations where a large number of observations suffer from contamination in a small number of predictor variables. The shooting S-estimator combines the ideas of the coordinate descent algorithm with simple S-regression, which makes it robust against componentwise contamination, at the cost of failing the regression equivariance property.     

Large-Eddy BreakUp Devices – a 40 Years Perspective from a Stockholm Horizon

In the beginning of the 1980’s Large Eddy BreakUp (LEBU) devices, thin plates or airfoils mounted in the outer part of turbulent boundary layers, were shown to be able to change the turbulent structure and intermittency as well as reduce turbulent skin friction. In some wind-tunnel studies it was also claimed that a net drag reduction was obtained, i.e. the reduction in skin-friction drag was larger than the drag on the devices. However, towing-tank experiments with a flat plate at high Reynolds numbers as well as with an axisymmetric body showed no net reduction, but instead an increase in total drag. Recent large-eddy simulations have explored the effect of LEBUs on the turbulent boundary layer and evaluations of the total drag show similar results as in the towing tank experiments. Despite these negative results in terms of net drag reduction, LEBUs manipulate the boundary layer in an interesting way which explains why they still attract some interest. The reason for the positive results in the wind-tunnel studies as compared to drag measurements are discussed here, although no definite answer for the differences can be given.     

Parametric enhancements of the Esau–Williams heuristic for the capacitated minimum spanning tree problem

The Capacitated Minimum Spanning Tree Problem is NP-hard and several heuristic solution methods have been proposed. They can be classified as classical ones and metaheuristics. Recent developments have shown that metaheuristics outperform classical heuristics. However, they require long computation times and there are difficulties in their parameter calibration and coding phases. This explains the popularity of the Esau–Williams (EW) heuristic in practice, and its use in many successful metaheuristics and second-order greedy methods. In this work, we are concerned with the EW heuristic and we propose simple new enhancements. Based on our computational experiments, we can say that they considerably improve its accuracy with minor increase in computation time, and without harming its simplicity.     

Quantum tunneling and quasinormal modes in the spacetime of the Alcubierre warp drive

In a seminal paper, Alcubierre showed that Einstein’s theory of general relativity appears to allow a super-luminal motion. In the present study, we use a recent eternal-warp-drive solution found by Alcubierre to study the effect of Hawking radiation upon an observer located within the warp drive in the framework of the quantum tunneling method. We find the same expression for the Hawking temperatures associated with the tunneling of both massive vector and scalar particles, and show this expression to be proportional to the velocity of the warp drive. On the other hand, since the discovery of gravitational waves, the quasinormal modes (QNMs) of black holes have also been extensively studied. With this purpose in mind, we perform a QNM analysis of massive scalar field perturbations in the background of the eternal-Alcubierre-warp-drive spacetime. Our analytical analysis shows that massive scalar perturbations lead to stable QNMs.     

Hawking Radiation of Scalar and Vector Particles from 5D Myers-Perry Black Holes

In the present paper we explore the Hawking radiation as a quantum tunneling effect from a rotating 5 dimensional Myers-Perry black hole (5D-MPBH) with two independent angular momentum components. First, we investigate the Hawking temperature by considering the tunneling of massive scalar particles and spin-1 vector particles from the 5D-MPBH in the Painlevé coordinates and then in the corotating frames. More specifically, we solve the Klein-Gordon and Proca equations by applying the WKB method and Hamilton-Jacobi equation in both cases. Finally, we recover the Hawking temperature and show that coordinates systems do not affect the Hawking temperature.     

Solving the multi-commodity capacitated multi-facility Weber problem using Lagrangean relaxation and a subgradient-like algorithm

The Multi-commodity Capacitated Multi-facility Weber Problem (MCMWP) is concerned with locating I-capacitated facilities in the plane in order to satisfy the demands of J customers for K commodities so that the total transportation cost is minimized. We propose a Lagrangean relaxation scheme and a subgradient-like algorithm based on the relaxation of the capacity and commodity bundle constraints. The resulting subproblem is a variant of the well-known Multi-facility Weber Problem and it can be solved by using column generation and branch-and-price on an equivalent set covering formulation, which is accurate but extremely inefficient. Therefore, we devise different strategies to increase the efficiency. They mainly benefit from the effective usage of the lower and upper bounds on the optimal value of the Lagrangean subproblem. On the basis of extensive computational tests, we can say that they increase the efficiency considerably and result in accurate Lagrangean heuristics.     

The synthesis,characterization and antibacterial activities of dinuclear Ni(II), Cu(II) and Fe(III) Schiff base complexes

Schiff base; N,N′-bis-(2-hydroxy-1-naphthaldimine)-1,3-diaminopropanol (napdapOH) reacts with metal chlorides to form dinuclear complexes of the type [M₂L₂] · nCl₂ where M = Ni, Cu, Fe and n = 0, 1. Schiff base complexes were characterized by using FT-IR, LC-MS, magnetic moments and conductance measurements. Coordination was found to be through the phenolic oxygen atoms and azomethine nitrogen atoms. The electronic properties of the compounds were investigated theoretically by performing semiempirical molecular orbital theory PM3 method in Hyperchem 7 (Release). The antibacterial activities of the compounds were investigated against Escherichia coli ATCC 11230, Bacillus subtilis RSKK 244, Bacillus megaterium RSKK 5117, Salmonella enteritidis ATCC 13076, Staphylococcus aureus ATCC 25923 by using microdilution method.     

Fractional optimal control of a 2-dimensional distributed system using eigenfunctions

This paper presents an eigenfunctions expansion based scheme for Fractional Optimal Control (FOC) of a 2-dimensional distributed system. The fractional derivative is defined in the Riemann–Liouville sense. The performance index of a FOC problem is considered as a function of both state and control variables, and the dynamic constraints are expressed by a Partial Fractional Differential Equation (PFDE) containing two space parameters and one time parameter. Eigenfunctions are used to eliminate the terms containing space parameters and to define the problem in terms of a set of generalized state and control variables. For numerical computation Grünwald–Letnikov approximation is used. A direct numerical technique is proposed to obtain the state and the control variables. For a linear case, the numerical technique results into a set of algebraic equations which can be solved using a direct or an iterative scheme. The problem is solved for different number of eigenfunctions and time discretization. Numerical results show that only a few eigenfunctions are sufficient to obtain good results, and the solutions converge as the size of the time step is reduced.     

Energy elastic effects and the concept of temperature in flowing polymeric liquids

The incorporation of energy elastic effects in the modeling of flowing polymeric liquids is discussed. Since conformational energetic effects are determined by structural features much smaller than the end-to-end vector of the polymer chains, commonly employed single conformation tensor models are insufficient to describe energy elastic effects. The need for a local structural variable is substantiated by studying a microscopic toy model with energetic effects in the setting of a generalized canonical ensemble. In order to examine the dynamics of flowing polymeric liquids with energy elastic effects, a thermodynamically admissible set of evolution equations is presented that accounts for the evolution of the microstructure in terms of a slow tensor, as well as a fast, local scalar variable. It is demonstrated that the temperature used in the definition of the heat flux is directly related to the Lagrange multiplier of the microscopic energy in the generalized canonical partition function. The temperature equation is discussed with respect to, first, the dependence of the heat capacity on the polymer conformation and, second, the possibility to measure experimentally the effects of the conformational energy.