A Simple and Convenient Synthesis of 4‐Ylidene‐5(4H)oxazolone Derivatives: Oxazolone Ring Transformation Leading to Other Heterocyclic Structures

Simple, effective, and high yield synthetic procedure for the synthesis of 4‐ylidene‐5(4H)‐oxazolones 2a–m from arylidene‐malononitriles under solvent‐free conditions is described. The scope of this reaction was investigated, and it was found that the presence of anhydrous sodium acetate gave the corresponding oxazolones in excellent yields. The newly generated oxazolone derivative 2m underwent ring transformation into pyrroles, imidazoles, pyridazine, and triazines.     

Synthesis,Spectral, Modeling,Docking and Cytotoxicity Studies on 2-(2-aminobenzoyl)-N-ethylhydrazine-1-carbothioamide and its divalent metal complexes

2-(2-aminobenzoyl)-N-ethylhydrazine-1-carbothioamide (H₃L) and its Cu (II), Co (II), Ni (II) and Zn (II) complexes have been synthesized. The structures of the isolated compounds were suggested based on elemental analyses, spectral analyses (FTIR, ¹H and ¹³CNMR, MS, ESR and UV–Visible) and magnetic moments measurements. The free ligand exists in the keto-thione form, while in the metal complexes; it exists in the enol form and coordinates as mononegative bidentate via deprotonated enolic oxygen and N²H nitrogen. Both Co (II) and Ni (II) complexes have an octahedral, while Cu (II) complex has a square planar geometry. The compounds have direct electronic transitions with optical band gap (E_g) values in the range 3.14–3.40 eV. The ligand and its complexes were optimized using DFT/B3LYP methodology. The ligand optimization results supported the involvement of the carbonyl oxygen, thione sulfur and N²H hydrogen atoms in hydrogen bonding formation. Furthermore, the obtained structures of the ligand and its complexes were subjected to molecular docking study to predict interactions cause their cytotoxicity. Finally, the in vitro cytotoxicity activities of the ligand and its complexes were investigated against Hela and WISH cell lines where the Zn (II) complex exhibited higher activity than the other compounds against the two cell lines in accordance with molecular docking suggestion.     

Hydrogenation ofCHClF2(CFC-22)overPt-supported on silica-based polydimethylsiloxane composite matrices?

Summary 0.5% Pt-supported on silica-basedpolydimethylsiloxane compositeswere preparedandcharacterized using BET surface area, FT-IR, TGA, SEM and XRD. Hydrogenation ofCFC-22 over these catalysts produced mainly CH₃F and CH₄.</o:p>     

Molecular modeling,spectral, and biological studies of 4-formylpyridine-4 N-(2-pyridyl) thiosemicarbazone (HFPTS) and its Mn(II), Fe(III), Co(II), Ni(II), Cu(II), Cd(II), Hg(II), and UO2(II) complexes

The present work describes the preparation and characterization of some metal ion complexes derived from 4-formylpyridine-⁴ N-(2-pyridyl)thiosemicarbazone (HFPTS). The complexes have the formula; [Cd(HFPTS)₂H₂O]Cl₂, [CoCl₂(HPTS)]·H₂O, [Cu₂Cl₄(HPTS)]·H₂O, [Fe (HPTS)₂Cl₂]Cl·3H₂O, [Hg(HPTS)Cl₂]·4H₂O, [Mn(HPTS)Cl₂]·5H₂O, [Ni(HPTS)Cl₂]·2H₂O, [UO₂(FPTS)₂(H₂O)]·3H₂O. The complexes were characterized by elemental analysis, spectral (IR, ¹H-NMR and UV–Vis), thermal and magnetic moment measurements. The neutral bidentate coordination mode is major for the most investigated complexes. A mononegative bidentate for UO₂(II), and neutral tridentate for Cu(II). The tetrahedral arrangement is proposed for most investigated complexes. The biological investigation displays the toxic activity of Hg(II) and UO₂(II) complexes, whereas the ligand displays the lowest inhibition activity toward the most investigated microorganisms.     

Synthesis, network structure and morphology of s-triazine-organosilane glassy hybrid materials

A series of five hybrid materials are synthesized by the reaction of cyanuric chloride (C₃N₃Cl₃) with different alkoxysilanes (R_xSi(OC₂H₅)_4−x, R=CH₃, C₆H₅ and x=0, 1, 2) in ethanol using sol–gel technique. The resulting s-triazine-organosilane products were examined using spectroscopic (UV–visible, FT-IR), thermal (thermogravimetric analysis, TGA), powder X-ray diffraction (P-XRD), BET analysis and microscopic (scanning electron microscopy, SEM) techniques. These hybrid materials exhibit globular and two-dimensional morphological textures with varying degrees of crystalline microstructures. Depending on the functionality of the organosilane building blocks the obtained hybrid materials exhibit different material characteristics including their solid state, Vicat softening point (Vicat hardness), density and porosity. BET surface area measurements indicate that these materials possess small specific surface areas of 0.36–2.3 m²/g with external surface area of ~0.02 m²/g. The phenyl-containing hybrids exhibit pronounced hydrolytic stability compared to the methyl- and silica-based analogs. The DMSO and sulfolane solutions of the prepared hybrids are transparent to visible light whereas their cold-compressed discs are optically opaque.     

DC and RF performance of 0.25 μm p-type SiGe MODFET

The DC and RF performance of a 0.25 μm gate-length p-type SiGe modulation-doped field-effect transistor (MODFET) is reported. The hole channel consists of compressively strained Si_0.3Ge_0.7 layer grown on a relaxed Si_0.7Ge_0.3 buffer on a Si substrate. The combination of high-hole mobility, low-gate leakage current, and improved ohmic contact metallization results in an enhancement of the DC and RF performance. A maximum extrinsic transconductance (g(m_ext)) of 230 mS/mm was measured. A unity current gain cut-off frequency (fT) of 24 GHz and a maximum frequency of oscillation (f_max) of 37 GHz were obtained for these devices     

Electrical and thermal studies in the commensurate incommensurate phase region of (NH4)2ZnCl4 single crystal

DC electrical conductivity for a virgin and poled annealed (NH₄)₂ZnCl₄b-axis single crystal shows a defect controlled property. A Schottky mechanism is a probable mechanism of conduction in regions of strong structural transitions. The rise of conductivity in the incommensurate and paraelectric phases is linked to an increase in discommensurations density. The activation energies (ΔE) in the three phases region were calculated. DTA measurements shows that the crystal is stable up to 200 °C and the phase transition temperatures were observed at 42, 94.8 and 137 °C. The effective activation energy (E_e) was obtained using Kissinger and Mahadevan equations. It was found to be equal to 0.49 eV. This correlates with the value obtained through DC conductivity.     

Influence of temperature on the properties of one-dimensional piezoelectric phononic crystals

The current study investigates the influence of temperature on a one-dimensional piezoelectric phononic crystal using tunable resonant frequencies. Analytical and numerical examples are introduced to emphasize the influence of temperature on the piezoelectric phononic crystals. It was observed that the transmission spectrum of a one-dimensional phononic crystal containing a piezoelectric material(0.7 PMN-0.3 PT) can be changed drastically by an increase in temperature.The resonant peak can be shifted toward high or low frequencies by an increase or decrease in temperature, respectively.Therefore, we deduced that temperature can exhibit a large tuning in the phononic band gaps and in the local resonant frequencies depending on the presence of a piezoelectric material. Such result can enhance the harvesting energy from piezoelectric materials, especially those that are confined in a phononic crystal.     

Neutron activation analysis of major and trace elements in crude petroleum

We have determined the concentration of 25 trace elements in crude petroleum from seven Libyan oil fields by instrumental neutron activation analysis. Crude oil samples were irradiated with a thermal neutron dose rate of 10¹² and 10¹³ n·cm^–2·s^–1 in the Tajoura research reactor. The concentration of U, Br, Mg, Cu, Na, V, Cl, Al, Mn and Ca is in a range of 0.015 to 84 ppm and that of sulphur of 0.12 to 1.8%. The elements Sc, Cr, Ni, Fe, Co, Zn, Ag, Se, Sb, Ba, Cs, Yb, Hf and Hg have a concentration range of 0.009 to 8747 ppb. The coefficients of variation are within 10%. The elements V and Ni occur as both porphyrin and non-porphyrin and the ratio of these two forms varies over a wide range. The V/Ni ratios are located between 0.17 and 6.67, which are comparable to the reported values for the crude oils from other countries.