Transient stress and interfacial area generated during breakup of a Newtonian thread immersed in a Newtonian medium

The transient stress and the transient average orientation generated by the breakup process of a long Newtonian filament imbedded in a quiescent Newtonian viscous liquid have been calculated. Rayleigh disturbances were used to describe the relaxation of the filament and the variation of interfacial area in the absence of flow during the course of disintegration process. The effect of viscosity ratio and initial radius of the filament were discussed. It was demonstrated that the predictions of the model in terms of the time-evolution of interfacial area can be used to select the best conditions for carrying out the breaking thread experiments. The predictions of the proposed model were compared to some experimental data on polyamide/polyethylene system.     

Geometries,stabilities, electronic and magnetic properties of small PdnIr (n = 1–8) clusters from first-principles calculations

The geometrical structures, relative stabilities, electronic and magnetic properties of small Pd_nIr (n = 1–8) clusters have been systematically investigated using density functional theory at the B3PW91 level. The optimised geometries show that the lowest-energy structures of Pd_nIr clusters prefer a three-dimensional configuration. The relative stability of these clusters was examined by analysis of the binding energies per atom, fragmentation energies, the second-order difference of energies and the HOMO–LUMO energy gaps as a function of cluster size. The obtained results exhibit that the Pd₂Ir, Pd₃Ir and Pd₅Ir clusters are more stable than their neighbouring clusters. The energy gap of the Pd₂Ir cluster is the largest of all the clusters (2.258 eV). In addition, the charge transfers, vertical ionisation potentials, vertical electron affinities and chemical hardness were calculated and discussed. The magnetism calculations indicate that the total magnetic moment of Pd_nIr clusters is mainly localised on the iridium atom for Pd_1–6Ir clusters. Meanwhile, the 5d orbital plays the key role in the magnetic moment of the iridium atom.     

Morphology control of magnetic latex particles prepared from oil in water ferrofluid emulsion

The use of magnetic latex particles as solid support in biomedical applications is favourable when homogeneous and well-defined core–shell polymer particles are used. Accordingly, this paper concerns with the synthesis of magnetic poly(styrene–divinylbenzene) latex particles using emulsion polymerization of styrene (St) and divinylbenzene (DVB) monomers in the presence of preformed oil in water organic ferrofluid emulsion droplets as seed. The key parameters which affect on formation and morphology of the prepared magnetic latexes were investigated, including type of magnetic emulsion, St/DVB monomers ratio, DVB amount, type of initiator and surfactant nature. In this study, two different magnetic emulsions were used, low and high octane content magnetic emulsions. The magnetic emulsions were stabilized using different types of surfactants including AP, Triton X 405 and SDS. In addition, four different initiators, including AIBN, V50, ACPA and KPS were examined. The morphology of the prepared magnetic latexes was investigated using transmission electron microscopy. In addition, particle size and size distribution, magnetic content and magnetic properties of the prepared magnetic latexes were also examined, using various techniques, e.g. dynamic light scattering, thermal gravimetric analysis and vibrating sample magnetometer, respectively. The results showed that the morphology type (Janus like, moon like and/or core–shell) of the prepared magnetic latex particles could be controlled depending mainly on the used formulation. In fact, the use of styrene monomer leads to anisotropic morphology. Whereas, the progressive use of DVB in presence of KPS intiator leads to a well-defined magnetic core and polymer shell structure.

Reactions with Hydrazonoyl Halides 611: Synthesis of 2,3-Dihydro-1,3,4-Thiadiazoles

2-[1,2-Diaza-3-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))prop-2-enylidene]-3-phenyl-5-substituted 1,3,4-thiadiazolines and 2-{[4-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(1,3-thiazol-2-yl)]cyanomethylene}-3-phenyl-5-substitu- ted 1,3,4-thiadiazolines were synthesized from hydrazonoyl halides and 4-{-2-aza-2-[(methylthiothioxomethyl)amino]vinyl}-2,3-dimethyl-1-phenyl-3-pyrazoin-5-one and 2-[4-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)-1,3-thiazol-2-yl]ethane-nitrile, respectively. All synthesize compounds were elucidated by elemental analysis, spectra, and alternative synthesis routes, whenever possible.     

Influence of process and formulation parameters on the formation of submicron particles by solvent displacement and emulsification-diffusion methods critical comparison

Solvent displacement and emulsification–diffusion are the methods used most often for preparing biodegradable submicron particles. The major difference between them is the procedure, which results from the total or partial water miscibility of the organic solvents used. This review is devoted to a critical and a comparative analysis based on the mechanistic aspects of particle formation and reported data on the influence of operating conditions, polymers, stabilizing agents and solvents on the size and zeta-potential of particles. In addition, a systematic study was carried out experimentally in order to obtain experimental data not previously reported and compare the data pertaining to the different methods. Thus the discussion of the behaviors reported in the light of the results obtained from the literature takes into account a wide range of theoretical and practical information. This leads to discussion on the formation mechanism of the particles and provides criteria for selecting the adequate method and raw materials for satisfying specific objectives in submicron particle design.     

Crystal structure,Hirshfeld surface analysis,vibrational properties,and electrical and dielectric studies of the bis (4-benzylpyridinium) tetrachlorocuprate (II)

The present paper undertakes the study of (C₁₂H₁₂N)₂CuCl₄, which is a new hybrid compound. It is synthesized and characterized by single-crystal X-ray diffraction, Hirshfeld surface analysis, and FT-IR, FT-Raman, and impedance spectroscopies. It is crystallized in the monoclinic system with C2/c space group. Its crystal structure was determined and refined down to an R value of 0.05 and a wR value of 0.14. The structure can be described by the alternation of two different, cationic–anionic layers parallel to (110) plan. This complex is assembled into 3D supramolecular architecture by hydrogen bonds (N–H…Cl, C–H…Cl) and π–π interactions. Hirshfeld surface analyses and fingerprint plots are used for decoding intermolecular interactions in the crystal network and contribution of component units for the construction of the 3D architecture. The presence of different functional groups and the nature of their vibrations were identified by FT-IR and FT-Raman spectroscopies. The material is characterized by impedance spectroscopy technique measured in 209–500 MHz frequency and 296–390 K temperature ranges. In addition, the Cole–Cole (Z? versus Z?) plots were well fitted to an equivalent circuit built up by a parallel combination of resistance (R) and constant phase elements (CPEs). The close values of activation energies obtained from the analysis of equivalent circuit data confirm that the transport is through ion hopping mechanism in the bis (4-benzylpyridinium) tetrachlorocuprate.     

Optical,thermal, and magnetic properties of a microporous fluorinated iron phosphate: (H3O)2[Fe4(H2O)2F4(PO4)2(HPO4)2](H2O)

The non-centrosymmetric microporous fluorinated iron phosphate, (H₃O)₂[Fe₄(H₂O)₂F₄(PO₄)₂(HPO₄)₂](H₂O), is endowed with properties. In fact, the thermogravimetric analysis study shows a mass loss evolution as a temperature function. The optical study was also examined by UV–vis absorption. The magnetic results reveal the appearance of a ferromagnetic behavior at low temperature (Tc = 11.64 K).     

Synthesis of novel 5,7‐disubstituted 8‐hydroxyquinolines

Seven new 5,7‐disubstituted oxine derivatives have been synthesized via a Mannich reaction between a sec. amine (e.g. piperidine, pyrrolidine, morpholine, or dibenzylamine,) and 5‐cyano or 5‐azidomethyl‐8‐hydroxyquinoline, which were respectively obtained by nucleophilic displacement of 5‐chloromethyl‐8‐hydroxyquinoline by cyanide or azide anions. In all cases, a single product was isolated in medium to fair yield and characterized on the basis of ¹H and ¹³C‐NMR, MS and IR spectrometric data. The X‐ray structure of the product obtained from 5‐cyanomethyl‐8‐hydroxyquinoline and piperidine is also reported.     

Synthesis of some pyrazolopyrimidines as purine analogues

Pyrazolo[1,5‐a]pyrimidines were synthesized from the appropriate 3‐aminopyrazoles with the appropriate sodium (3‐oxocycloalkylidene)methenolate, β‐diketone, β‐keto esters or 1,2‐disubstituted acrylonitrile. Elemental analyses, spectral data, alternative synthesis route and X‐ray elucidated structures of the newly synthesized compounds.     

Synthesis,Anticancer Screening of Some Novel Trimethoxy Quinazolines and VEGFR2, EGFR Tyrosine Kinase Inhibitors Assay; Molecular Docking Studies

A new series of 8-methoxy-2-trimethoxyphenyl-3-substituted quinazoline-4(3)-one compounds were designed, synthesized, and screened for antitumor activity against three cell lines, namely, Hela, A549, and MDA compared to docetaxel as reference drug. The molecular docking was performed using Autodock Vina program and 20 ns molecular dynamics (MD) simulation was performed using GROMACS 2018.1 software. Compound 6 was the most potent antitumor of the new synthesized compounds and was evaluated as a VEGFR2 and EGFR inhibitor with (IC50, 98.1 and 106 nM respectively) compared to docetaxel (IC50, 89.3 and 56.1 nM respectively). Compounds 2, 6, 10, and 8 showed strong cytotoxic activities against the Hela cell line with IC50 of, 2.13, 2.8, 3.98, and 4.94 µM, respectively, relative to docetaxel (IC50, 9.65 µM). Compound 11 showed strong cytotoxic activity against A549 cell line (IC50, 4.03 µM) relative to docetaxel (IC50, 10.8 µM). Whereas compounds 6 and 9 showed strong cytotoxic activity against MDA cell line (IC50, 0.79, 3.42 µM, respectively) as compared to docetaxel (IC50, 3.98 µM).