Copper-catalyzed asymmetric conjugate addition of diethylzinc to substituted chalcones using a chiral phosphine ligand

A series of chiral phosphine PFAM and phosphine oxide POFAM ligands were studied for the copper-catalyzed asymmetric diethylzinc addition to enones. One of these ligands, PFAM2, was an efficient catalyst with a variety of enones to give conjugate addition products in up to 96% yield and 92% ee.     

Evolution of nanoscale defects to planar cracks in a brittle solid

Fracture of a solid is a highly multiscale process that associates atomic scale bond breaking with macroscopic crack propagation, and the process can be dramatically influenced by the presence of defects in materials. In a nanomaterial, defect formation energy decreases with the reduction of material size, and therefore, the role of defects in crack formation and subsequent crack growth in such materials may not be understood from the classical laws of fracture mechanism. In this study, we investigated the crack formation process of a defective (with missing atoms) nanostructured material (NaCl) using a series of molecular dynamics (MD) simulations. It was demonstrated that simple defects in the form of several missing atoms in the material could develop into a planar crack. Subsequently, MD simulations on failures of nanosized NaCl with pre-defined planar atomistic cracks of two different lengths under prescribed tensile displacement loads were performed. These failure loads were then applied on the equivalent continuum models, separately, to evaluate the associated fracture toughness values using the finite element analysis. For small cracks, the fracture toughness thus obtained is cracksize dependent and the corresponding critical energy release rate is significantly smaller than Griffith’s theoretical value. Explanation for this discrepancy between LEFM and the atomistic model was attempted.     

On the spectrum of periodic signals

In theory, there are many methods for the representation of signals. In practice, however, Fourier analysis involving the resolution of signals into sinusoidal components is used widely. There are several methods for Fourier analysis available for representation of signals. If the signal is periodic, then the Fourier series is used to represent the signal in terms of a set of harmonically related sinewaves. In this article new formulae for evaluating the trigonometric Fourier series coefficients when the signal under consideration is polynomial are developed by changing the integration to a derivation form. The solution presented here is an extension of the formulae proposed by Al-Smadi and Wilkes to the trigonometric Fourier series. The proposed technique is a powerful tool that can be used for solving practical science and engineering problems without excessive tedium.     

Wrapped weighted exponential distributions

We have developed a new class of circular distributions named wrapped weighted exponential distributions. The estimation of unknown parameters along with some characteristics of these distributions is also investigated. Some theorems that relate the distribution to some other circular distributions are established and we clarify their modeling potential using a classical data set on movements of sea stars.     

Benzothiophene-based complexes mediated formation of cyclic carbonates by cycloaddition of carbon dioxide to epoxides under mild solvent-free conditions

Transition Metal Chemistry - Transition metal complexes of the general formula [(S∩N∩N∩S)MCl2] (M: Cr(II), 2; Fe(II), 3, Co(II); 4; (S∩N∩N∩S):...     

Boosting 3H-Benzo[f]chromen-3-one Chalcone with Anti-inflammatory Drugs: Synthesis,Characterization, and Evaluation of Cytotoxicity and Antimicrobial Activity

Russian Journal of Organic Chemistry - A series of novel 3H-benzo[f]chromen-3-one derivatives bearing non-steroidal anti-inflammatory drug moieties were synthesized with good yields....     

Synthesis,spectral characterization and antibacterial activity of O,O’-dialkyl and alkylene dithiophosphatogold (III)dichloride; crystal structure of [S2POCMe2CMe2O]AuCl2

Abstract

O, O’-Dialkyl and alkylene dithiophosphatogold (III)dichloride complexes of the type [(RO)₂PS₂]AuCl₂ and [S₂POGO]AuCl₂, where R?=?Et, nPr, iPr, iBu, Ph, cyclohexyl and cyclopentyl, where G?=?CMe₂CMe₂-, have been synthesized in 80-90% yields by reaction of the corresponding acid or sodium salts of the appropriate dithiophosphoric acids in 1:1 ratio with gold (III) chloride in dry dichloromethane at room temperature. The compounds have been characterized by elemental analyses, IR and (¹H, ^l3C, and ³¹P) NMR. The crystal structure of [S₂POCMe₂CMe₂O]AuCl₂, was determined. These new complexes have shown their growth inhibiting potential against various bacterial strains with moderate to good activity.