Generalized Benders’ Decomposition for topology optimization problems

This article considers the non-linear mixed 0–1 optimization problems that appear in topology optimization of load carrying structures. The main objective is to present a Generalized Benders’ Decomposition (GBD) method for solving single and multiple load minimum compliance (maximum stiffness) problems with discrete design variables to global optimality. We present the theoretical aspects of the method, including a proof of finite convergence and conditions for obtaining global optimal solutions. The method is also linked to, and compared with, an Outer-Approximation approach and a mixed 0–1 semi definite programming formulation of the considered problem. Several ways to accelerate the method are suggested and an implementation is described. Finally, a set of truss topology optimization problems are numerically solved to global optimality.     

Two Cu(I) complexes based on semicarbazone ligand: synthesis,crystal structure,Hirshfeld surface and anticancer activity evaluation against human cell lines

Structural Chemistry - Two novel Cu(I) complexes with the 2-acetylpyridine-N(4)-phenyl semicarbazone (HL) ligand, [CuCl (HL)(PPh3)]∙CH3CN (1) and [CuBr (HL)(PPh3)] (2), were investigated by...     

Nutritional Value and Preventive Role of Nigella sativa L. and Its Main Component Thymoquinone in Cancer: An Evidenced-Based Review of Preclinical and Clinical Studies

In recent times, scientific attention has been paid to different foods and their bioactive components for the ability to inhibit the onset and progress of different types of cancer. Nigella sativa extract, powder and seed oil and its main components, thymoquinone and α-hederin, have showed potent anticancer and chemosensitizing effects against various types of cancer, such as liver, colon, breast, renal, cervical, lung, ovarian, pancreatic, prostate and skin tumors, through the modulation of various molecular signaling pathways. Herein, the purpose of this review was to highlight the anticancer activity of Nigella sativa and it constitutes, focusing on different in vitro, in vivo and clinical studies and projects, in order to underline their antiproliferative, proapoptotic, cytotoxic and antimetastatic effects. Particular attention has been also given to the synergistic effect of Nigella sativa and it constitutes with chemotherapeutic drugs, and to the synthesized analogs of thymoquinone that seem to enhance the chemo-sensitizing potential. This review could be a useful step towards new research on N. sativa and cancer, to include this plant in the dietary treatments in support to conventional therapies, for the best achievement of therapeutic goals.     

Cyclopalladation and Reactivity of Amino Esters through C?H Bond Activation: Experimental,Kinetic, and Density Functional Theory Mechanistic Studies

The orthopalladation, through C? H bond activation, of a large number of amino esters and amino phosphonates derived from phenylglycine, and having different substituents at the aryl ring and the C‐α atom, as well as on the N‐amine atom, has been studied. The experimental observations indicated an improvement in the yields of the orthopalladated compounds when the N‐amine and/or the C‐α atom are substituted, when compared with the unsubstituted methyl phenylglycinate derivatives. In contrast, substitutions at the aryl ring do not promote significant changes in the orthometalation results. Furthermore, the use of hydrochloride salts of the amino esters has also been shown to have a remarkably favorable effect on the process. All these observations have been fully quantified at different temperatures and pressures by a detailed kinetic study in solution in different solvents and in the presence and absence of added Brønsted acids and chloride anions. The data collected indicate relevant changes in the process depending on these conditions, as expected from the general background known for cyclopalladation reactions. An electronic mechanism of the orthopalladation has been proposed based on DFT calculations at the B3LYP level, and a very good agreement between the trends kinetically measured and the theoretically calculated activation barriers has been obtained. The reactivity of the new orthopalladated amino phosphonate derivatives has been tested and it was found that their halogenation, alkoxylation and carbonylation resulted in formation of the corresponding functionalized ortho‐haloaminophosphonates, ortho‐alkoxyaminophosphonates and oxoisoindolinylphosphonates.     

Nonlinear curvature-based model and resonant finite-amplitude vibrations of symmetric cross-ply laminates

Moving from a general plate theory, a modified general classical laminated plate theory (MGCLPT) exhibiting nonlinear curvatures but still allowing for some worth features of linear curvature models (von Karman) is formulated. Starting from MGCLPT partial differential equations, a minimal discretized model suitable for the analysis of resonant finite-amplitude vibrations of symmetric cross-ply laminates, with immovable or movable supports, is obtained via the Galerkin procedure. Periodic responses of a single-mode model and of a 3:1 internally resonant two-mode model excited at primary resonance are obtained via the multiple time scale method. The influence of various system parameters (thickness ratio, plate aspect, number of laminae, kind of material, mode number) is addressed, and the comparison of nonlinear vibration results as obtained with the MGCLPT and the von Karman models for different boundary conditions shows some interesting differences.     

Rebuttal of “Compatibility of local and global stability conditions for some discrete population models,” by S.H. Saker

Nonlinear Dynamics -     

Use of ionic liquid for the enzyme‐catalyzed polymerization of phenols

Ionic liquid and buffer mixture media are first reported in the peroxidase‐catalyzed polymerization of phenol. Yield of 100% with molecular weights of 7000 KDa, as assessed by size‐exclusion chromatography (SEC), were attained using 1‐butyl‐3‐methylimidazolium tetrafluoroborate–buffer mixtures with added hydrogen peroxide. The simplicity of the process and the low vapor pressure of the solvent media allow an eco‐friendly alternative to the general synthesis of polyphenolic‐type biopolymers. Evidence for the consequent polyphenol (PPO) was obtained from solid‐state ¹³C cross‐polarization magic angle spinning (CP‐MAS) NMR spectroscopy and FT‐IR. Copyright © 2009 John Wiley & Sons, Ltd.