Molecular Cage Assembly by Sn−O−Sn Bridging of Di-, Tri- and Tetranuclear Organotin Tectons: Extending the Spacing in Double Ladder Structures

Hydrolysis reactions of di- and trinuclear organotin halides yielded large novel cage compounds containing Sn−O−Sn bridges. The molecular structures of two octanuclear tetraorganodistannoxanes showing double-ladder motifs, viz., [{Me₃SiCH₂(Cl)SnCH₂YCH₂Sn(OH)CH₂SiMe₃}₂(μ-O)₂]₂ [ 1 , Y=p-(Me)₂SiC₆H₄-C₆H₄Si(Me)₂] and [{Me₃SiCH₂(I)SnCH₂YCH₂Sn(OH)CH₂SiMe₃}₂(μ-O)₂]₂ ⋅ 0.48 I₂ [ 2⋅ 0.48 I₂, Y=p-(Me)₂SiC₆H₄-C₆H₄Si(Me)₂], and the hexanuclear cage-compound 1,3,6-C₆H₃(p-C₆H₄Si(Me)₂CH₂Sn(R)₂OSn(R)₂CH₂Si(Me)₂C₆H₄-p)₃C₆H₃-1,3,6 ( 3 , R=CH₂SiMe₃) are reported. Of these, the co-crystal 2⋅ 0.48 I₂ exhibits the largest spacing of 16.7 Å reported to date for distannoxane-based double ladders. DFT calculations for the hexanuclear cage and a related octanuclear congener accompany the experimental work.     

Unsteady hydromagnetic channel flow of dusty fluid with temperature dependent viscosity and thermal conductivity

In the present paper the unsteady flow and heat transfer of a dusty conducting fluid between two parallel plates with temperature dependent viscosity and thermal conductivity are studied. A constant pressure gradient and an external uniform magnetic field is applied. The governing coupled momentum and energy equations are solved numerically using finite differences. The effect of the variable viscosity and thermal conductivity of the fluid and the uniform magnetic field on the velocity and temperature fields for both the fluid and dust particles is discussed.On leave from Department of Mathematics and Physics, Faculty of Engineering, El-Fayoum University, Egypt     

Phthalazine-1,4-dione derivatives as non-competitive AMPA receptor antagonists: design,synthesis, anticonvulsant evaluation,ADMET profile and molecular docking

Molecular Diversity - In view of the anticonvulsant activity reported for phthalazine derivatives as non-competitive AMPA receptor antagonists, a new series of phthalazine-1,4-diones (2–12)...     

Eosin photodegradation over TiO2 modified by γ-ray irradiation

TiO₂ thin films are elaborated by sol gel on glass substrates and irradiated with ⁶⁰Co γ-rays. The X-ray diffraction, UV-Visible spectroscopy and transport properties are investigated. The films are nominally non stochiometric and the conductivity occurs by thermally activated hopping of lattice polaron. The oxygen vacancies induced by γ-ray irradiation at lower dose (<10 kGy) generate mixed valences Ti⁴⁺/³⁺, thus altering the transport properties. The photo-electrochemical characterisation is undertaken to evaluate the photo catalytic performance. The Mott-Schottky plots are characteristic of n type conduction from which a flat band potential of ?0.62 V _SCE and a donor density of 5 × 10¹⁷ cm^?3 are determined for the most active film. The Nyquist plot exhibits a semi-circular arc whose center lies below the real axis, due to the constant phase element (CPE). The energy band diagram shows the potentiality of the films for the eosin photodegradation. 68% of initial concentration (10 mg L^?1) disappears after 2 h of exposure to the solar light. TiO₂ irradiated with gamma dose of 10 kGy shows the best efficiency, due to the resistance decrees and high electron mobility (25 cm² V^?1 s^?1). The eosin oxidation follows a first order kinetic with a rate constant of 6 × 10^?2 min^?1.     

Antileukemic α-pyrone derivatives from the endophytic fungus Alternaria phragmospora

Four new (1–4) and two known (5 and 6) α-pyrone derivatives have been isolated from Alternaria phragmospora, an endophytic fungus from Vinca rosea, leaves. The isolated compounds were chemically identified to be 5-butyl-4-methoxy-6-methyl-2H-pyran-2-one (1), 5-butyl-6-(hydroxymethyl)-4-methoxy-2H-pyran-2-one (2), 5-(1-hydroxybutyl)-4-methoxy-6-methyl-2H-pyran-2-one (3), 4-methoxy-6-methyl-5-(3-oxobutyl)-2H-pyran-2-one (4), 5-(2-hydroxyethyl)-4-methoxy-6-methyl-2H-pyran-2-one (5), and 5-[(2E)-but-2-en-1-yl]-4-methoxy-6-methyl-2H-pyran-2-one (6). Compounds 2 and 4 showed moderate antileukemic activities against HL60 cells with IC₅₀ values of 2.2 and 0.9 μM and against K562 cells with IC₅₀ values of 4.5 and 1.5 μM, respectively.     

Magnetic Polymer Composite Particles Via In situ Inverse Miniemulsion Polymerization Process

We aimed at preparing magnetic iron oxide particles by the oxidation-precipitation method in order to encapsulate these particles in polymer matrices composed of poly(acrylamide-styrene sulfonic acid sodium salt). Nanocomposites were synthesized by the incorporation of surface treated magnetic nanoparticles in the synthesized polymers via in situ inverse mini-emulsion polymerization process. The study parameter was the ionic monomer content in the synthesized polymers. The structure and the morphology of the magnetic nanogels were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), dynamic light scattering (DLS), thermal gravimetric analysis (TGA) and scanning electron microscopy (SEM). FTIR and XRD showed that pure magnetite was formed and successfully encapsulated in the composite nanoparticles. The polymer encapsulation could reduce the susceptibility to leaching and could protect the magnetite particle surfaces from oxidation. The ionic monomer content had a great effect on the magnetization behavior. Magnetite prepared by the oxidation precipitation method, of 50 nm mean particle size, was embedded successfully into the polymer nanogels with a reasonable magnetic response, as proved by vibrating sample magnetometer measurement. Magnetic nanocomposites were proven to be super-ferromagnetic materials.     

A highly distorted hexacoordinated silver(I) complex: synthesis,crystal structure,and DFT studies

A new highly distorted hexacoordinated silver(I) complex [AgL₂NO₃] with 2-(bis(methylthio)methylene)-1-phenylbutane-1,3-dione (L) as ligand is synthesized and characterized using elemental analysis, FTIR, NMR, and X-ray single-crystal structure analysis. The ligand (L) and the nitrate group act as bidentate ligands. The geometry around the silver ion has an intermediate configuration between a trigonal prism (TP) and an octahedron (OCT). Continuous shape measure (CShM) analysis indicated a closer configuration to TP than OCT. Experimentally and theoretically, the Ag–S bonds are shorter than any of the Ag–O bonds, indicating a stronger interaction between Ag⁺ (soft metal) and S-atom as a softer site than oxygen. Natural bond orbital (NBO) analyses showed higher interaction energies between the S-atom lone pairs and the Ag–antibonding NBO (8.61–31.39 kcal/mol) than LP(O)→Ag (3.48–11.46 kcal/mol). The acceptor antibonding NBO of the Ag atom has mainly s-orbital character. The Ag atom has a natural charge of +0.7579 e at the experimental structure, suggesting that negative charge was transferred from the ligand (0.0666 e) and nitrate (0.1090 e) to the Ag ion. Using Hirshfeld surface analysis, the important intermolecular interactions between molecular units within the crystal lattice of the ligand and its Ag-complex were analyzed and compared.     

Structure and stability characteristics of turbulent planar flames with inhomogeneous jet in a concentric flow slot burner

Turbulent flames with compositionally inhomogeneous mixtures are common in many combustion systems. Turbulent jet flames with a circular nozzle burner were used earlier to study the impact of inhomogeneous mixtures, and these studies showed that the nozzle radius affects the flame stability. Accordingly, planar turbulent flames with inhomogeneous turbulent jet are created in a concentric flow slot burner (CFSB) to avoid this effect in the present study. The stability characteristics, the mixing field structure, and the flame front structure were measured, and the correlations between stability and the mixing field structure were investigated. The mixture fraction field was measured in non-reacting jets at the nozzle exit using highly resolved Rayleigh scattering technique, and the flame front was measured in some selected turbulent flames using high-speed Planar Laser-Induced Fluorescence (PLIF) of OH technique. The data show strong correlations between flame stability and the range of mixture fraction fluctuations. The flames are highly stabilized within a mixing field environment with the range of fluctuation in mixture fraction close to the range of the flammability limits. The mixing field structure is also illustrated and discussed using a mixing regime diagram and showed that the scatter of the data of the different cases is consistent with the classified mixing regimes. Lean flames are stabilized in the current slot burner. The flame front structure topology varies consistently from thin, small curvature at the low level of turbulence and higher equivalence ratio to more wrinkled, larger curvature, but a thicker structure at a higher level of turbulence and lower equivalence ratio.     

A matrix formulation for the dynamic analysis of planar mechanisms using point coordinates and velocity transformation

This paper presents a matrix formulation for the dynamic analysis of planar mechanisms consisting of interconnected rigid bodies. The formulation initially uses the rectangular Cartesian coordinates of an equivalent constrained system of particles to define the configuration of the mechanical system. This results in a simple and straightforward procedure for generating the equations of motion. The equations of motion are then derived in terms of relative joint coordinates through the use of a velocity transformation matrix. The velocity transformation matrix relates the relative joint velocities to the Cartesian velocities. For the open-loop case, this process automatically eliminates all of the non-working constraint forces and leads to an efficient integration of the equations of motion. For the closed-loop case, suitable joints should be cut and few cut-joints constraint equations should be included for each closed loop. Two examples are used to demonstrate the generality and efficiency of the proposed method.     

A review on the synthesis of heteroannulated quinolones and their biological activities

Molecular Diversity - The quinoline scaffold has become an important construction motif for the development of new drugs. The quinolones and their heteroannulated derivatives have high importance...