Spectral study of Eriochrome Blue Black R in different cationic surfactant solutions

Interactions of anionic dye Eriochrome Blue Black R (EBBR) with various cationic micelles of surfactants n-alkyltrimethylammonium CnTAB (n=12; 14; 16 and 18) have been investigated spectrophotometrically at 25°C in premicellar and postmicellar region. The results have shown that with increasing the alkyl chain length of surfactants, the maximum absorbance of EBBR shifted to a higher wavelength and the binding constants of EBBR to cationic micelles (Kb) increases. This confirms that the surfactant micelle, which has a longer alkyl hydrocarbon chain, enables greater solubilization of dye. Thus, the hydrophobic interaction of the dye with micelles increases in the order: C12TAB相似文献   

Optimization of the collocation inversion method for the linear viscoelastic homogenization

The effective behaviour of linear viscoelastic heterogeneous material can be derived from the correspondence principle and the inversion of the obtained symbolic homogenized behavior. Various numerical methods were proposed to carry out this inversion. The collocation method, widely used, within this framework rests on a discretization of the characteristic spectrum in a sum of discrete lines for which it is necessary to determine the intensities and the positions by the minimization of the difference between the exact temporal function and its approximation. The classical method is based on a priori choice of the lines positions and on the optimization of their intensities. It is shown here that the combined optimization of the positions and the (positive) intensities lead to a minimization problem under constraints. In the simple case of an incompressible isotropic two-phase material, the assessment of the effective relaxation function with a continuum spectra or made up of discrete lines proves that the proposed method improves the predictions of the classical approach.     

In Silico Approach Using Free Software to Optimize the Antiproliferative Activity and Predict the Potential Mechanism of Action of Pyrrolizine-Based Schiff Bases

In the current study, a simple in silico approach using free software was used with the experimental studies to optimize the antiproliferative activity and predict the potential mechanism of action of pyrrolizine-based Schiff bases. A compound library of 288 Schiff bases was designed based on compound 10, and a pharmacophore search was performed. Structural analysis of the top scoring hits and a docking study were used to select the best derivatives for the synthesis. Chemical synthesis and structural elucidation of compounds 16a–h were discussed. The antiproliferative activity of 16a–h was evaluated against three cancer (MCF7, A2780 and HT29, IC₅₀ = 0.01–40.50 μM) and one normal MRC5 (IC₅₀ = 1.27–24.06 μM) cell lines using the MTT assay. The results revealed the highest antiproliferative activity against MCF7 cells for 16g (IC₅₀ = 0.01 μM) with an exceptionally high selectivity index of (SI = 578). Cell cycle analysis of MCF7 cells treated with compound 16g revealed a cell cycle arrest at the G₂/M phase. In addition, compound 16g induced a dose-dependent increase in apoptotic events in MCF7 cells compared to the control. In silico target prediction of compound 16g showed six potential targets that could mediate these activities. Molecular docking analysis of compound 16g revealed high binding affinities toward COX-2, MAP P38α, EGFR, and CDK2. The results of the MD simulation revealed low RMSD values and high negative binding free energies for the two complexes formed between compound 16g with EGFR, and CDK2, while COX-2 was in the third order. These results highlighted a great potentiality for 16g to inhibit both CDK2 and EGFR. Taken together, the results mentioned above highlighted compound 16g as a potential anticancer agent.     

Niclosamide Is Active In Vitro against Mycetoma Pathogens

Redox-active drugs are the mainstay of parasite chemotherapy. To assess their repurposing potential for eumycetoma, we have tested a set of nitroheterocycles and peroxides in vitro against two isolates of Madurella mycetomatis, the main causative agent of eumycetoma in Sudan. All the tested compounds were inactive except for niclosamide, which had minimal inhibitory concentrations of around 1 µg/mL. Further tests with niclosamide and niclosamide ethanolamine demonstrated in vitro activity not only against M. mycetomatis but also against Actinomadura spp., causative agents of actinomycetoma, with minimal inhibitory concentrations below 1 µg/mL. The experimental compound MMV665807, a related salicylanilide without a nitro group, was as active as niclosamide, indicating that the antimycetomal action of niclosamide is independent of its redox chemistry (which is in agreement with the complete lack of activity in all other nitroheterocyclic drugs tested). Based on these results, we propose to further evaluate the salicylanilides, niclosamide in particular, as drug repurposing candidates for mycetoma.     

Substitution and Solvent Effect of Some Substituted Hydroxy Schiff Bases

Abstract

The uv-vis spectra of eight ortho-hydroxy- andpara-hydroxy schiff bases were recorded in different solvents. Inductive and resonance effect of the substituents affect the electronic spectra of those molecules, while, intra-molecular hydrogen bond formation or breakage have little effect on the uv-visible spectra.     

On the structure of random plane-oriented recursive trees and their branches

This paper is an investigation of the structural properties of random plane-oriented recursive trees and their branches. We begin by an enumeration of these trees and some general properties related to the outdegrees of nodes. Using generalized Pólya urn models we study the exact and limiting distributions of the size and the number of leaves in the branches of the tree. The exact distribution for the leaves in the branches is given by formulas involving second-order Eulerian numbers. A martingale central limit theorem for a linear combination of the number of leaves and the number of internal nodes is derived. The distribution of that linear combination is a mixture of normals with a beta distribution as its mixing density. The martingale central limit theorem allows easy determination of the limit laws governing the leaves in the branches. Furthermore, the asymptotic joint distribution of the number of nodes of outdegree 0, 1 and 2 is shown to be trivariate normal. © 1993 John Wiley & Sons, Inc.     

Spectral Properties of Bifunctional Schiff Bases, [Bis (X-Phenyl)-Ethane Diimine]

Electronic spectra of five (Bis(X-phenyl)-Ethane diimine] compounds I-V, have been investigated in various organic solvents and aqueous buffer solutions of varying pH's. The observed visible band is assigned to intramolecular CT transition. Furthermore, it is deduced that structure of the o-hydroxy derivative is not entirely planar. The acid dissociation constant values of the hydroxy derivatives have been determined and are discussed.     

Entanglement of a three-level trapped atom in the presence of another three-level trapped atom

A new version of two multi-level trapped atoms interacting with laser fields is under consideration. This system is based on a three-level trapped atom interacting with laser fields in the presence of another three-level trapped atom taking into account the time-dependent atom-field couplings and phase shift. The entanglement due to the concurrence is calculated and its time evolution phenomena is demonstrated within the framework of the presented theory. Our results establish an explicit relationship between the concurrence and the entanglement through the two three-level atoms and the fields interaction. We show that different nonclassical effects arise in the dynamics of the atomic population inversion, due to the initial states of the system as well as the values of the Lamb-Dicke parameter.     

Exact solution of thermal radiation on MHD flow over a stretching porous sheet

The effect of radiation on MHD steady asymmetric flow of an electrically conducting fluid past a stretching porous sheet in the presence of radiation has been analyzed. Exact solutions for the velocity and temperature fields have been derived and the effects of radiation, magnetic, Prandtl number, wall temperature and suction (or injection) parameters have been studied with the help of graphs.     

Scattering loss in Nd-doped silica based optical fibers

Rare-earth doped fibers suffer from relatively high attenuation in comparison to conventional communication fibers. In order to improve the properties of such fibers, understanding of the mechanisms involved in scattering effects is of great importance. The effect of Nd-doping, Al-codoping and of the drawing temperature on the scattering effect was investigated for several different optical fibers. To this end a measuring setup was realized which allows absolute measurements of the scattering coefficient at different positions along a fiber. Also separation of total attenuation and scattering effects is possible. The presented results indicate scattering effects as primary source for increased attenuation compared with undoped fibers.