Two new potential optical materials: Co(II) and Ni(II) 3-fluorobenzoate complexes with pyridine-3-carboxamide

Two new complexes, [Co(3-fba)₂(na)₂(H₂O)₂] (1) and [Ni(3-fba)₂(na)₂(H₂O)₂] (2) (where 3-fba = 3-fluorobenzoate and na?=?pyridine-3-carboxamide, nicotinamide), were synthesized and characterized using different techniques (elemental analysis, FT-IR, UV-Vis spectrophotometer, single-crystal X-ray diffraction, fluorescence spectroscopy, and TGA/DTA analysis). X-ray structural analysis revealed that 1 and 2 are isostructural and exhibit distorted octahedral coordination geometry. In each molecule, metal atoms (Co⁺² and Ni⁺²) are linked by two 3-fluorobenzoate anions, two pyridine-3-carboxamide ligands, and two water molecules per formula unit. The 3-fluorobenzoate and pyridine-3-carboxamide are monodentate through a carboxylate oxygen atom and the nitrogen atom of the pyridine ring, respectively. UV-Vis results showed that the studied complexes have absorption edges similar to semiconductor structures. Namely, 1 and 2 indicated emission behaviors around 370?nm and 361?nm, respectively.     

Regio- and stereospecific synthesis of dl-4,5-dibromo-4,5-dideoxy-3,6-O-methyl-chiro-inositol

The regio- and stereospecific synthesis of dl-4,5-dibromo-4,5-dideoxy-3,6-O-methyl-chiro-inositol is reported. Bromination of p-benzoquinone followed by reduction of the carbonyl groups with NaBH₄ gave the corresponding trans-dibromodiol compound, which was reacted with sodium methoxide to produce dimethoxy conduritol-B. Regiospecific bromination of the alkene moiety furnished the desired chiro-inositol derivative.     

Molecular and Crystal Structure of 2-{(<Emphasis Type="Italic">E</Emphasis>)-[(5-Chloro-2-methoxyphenyl)imino]methyl}-4-nitrophenol

The molecular structure of the title compound, C₁₄H₁₁ClN₂O₄, was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic sp. gr. P2₁/c with Z = 4. The title compound, C₁₄H₁₁ClN₂O₄, is a Schiff base which adopts the phenol-imine tautomeric form in the solid state.The molecule is almost planar and the dihedral angle between the planes of two aromatic ring is 2.2(1)°. The molecular structure is stabilized by intramolecular O–H···N hydrogen bond which generates a six-membered ring. In the crystal structure, the molecules are linked together by intermolecular C–H···O interactions.     

Synthesis of Bis‐spiro Cyclopropanes Based on Meldrum’s Acid by Milling

Reaction of 2,2‐dimethyl‐1,3‐dioxane‐4,6‐dione (Meldrum’s acid) with various solid aldehydes in the presence of cyanogen bromide and solid sodium ethoxide (EtONa) leads to the selective and efficient formation of bis‐spiro cyclopropanes based on Meldrum’s acid at the range of 0 °C to room temperature. The products were obtained in good to excellent yields. Structure elucidation is carried out by ¹H NMR, ¹³C NMR, FT‐IR spectroscopy, mass analyses and X‐ray crystallography techniques. A possible mechanism for the formation of products is also discussed under solvent‐free condition.     

Thiazoline-Iridium (III) Complexes and Immobilized Nanomaterials as Selective Catalysts in N-Alkylation of Amines with Alcohols

In this research, a new series of thiazoline-iridium (III) complexes ( 4 – 7 ) derived from cysteine were prepared and fully characterized by conventional methods. The molecular structure of complex 5 was also determined by single-crystal X-ray diffraction. These complexes were evaluated as catalysts for hydrogen-borrowing reactions of amines with alcohols. In particular, complex 5 showed the best activity as catalyst. Various amines have been alkylated with alcohols affording moderate to good yield (33–99%). Moreover, the immobilized nanomaterials ( M _1,2 ) were fabricated by sonication process from the best catalyst 5 with the multi-walled carbon nanotubes (MWCNTs) and graphene oxide (GO), respectively, and characterized by X-ray diffraction (XRD), Fourier transform infrared (FT-IR) spectroscopy, field emission scanning electron microscopy (FE-SEM), energy dispersive X-ray (EDX) spectroscopy, and inductively coupled plasma-mass spectrometry (ICP-MS). The M _1,2 nanomaterials were also tested as catalysts in model catalytic reaction for N-alkylation. The M ₁ nanomaterial showed significantly higher activity than the M ₂ nanomaterial. The M ₁ catalyst was recovered by filtration and reused for four catalytic cycles with high conversion (99%, 97%, 96%, and 86%).     

A parallel monolithic algorithm for the numerical simulation of large‐scale fluid structure interaction problems

A novel parallel monolithic algorithm has been developed for the numerical simulation of large‐scale fluid structure interaction problems. The governing incompressible Navier–Stokes equations for the fluid domain are discretized using the arbitrary Lagrangian–Eulerian formulation‐based side‐centered unstructured finite volume method. The deformation of the solid domain is governed by the constitutive laws for the nonlinear Saint Venant–Kirchhoff material, and the classical Galerkin finite element method is used to discretize the governing equations in a Lagrangian frame. A special attention is given to construct an algorithm with exact total fluid volume conservation while obeying both the global and the local discrete geometric conservation law. The resulting large‐scale algebraic nonlinear equations are multiplied with an upper triangular right preconditioner that results in a scaled discrete Laplacian instead of a zero block in the original system. Then, a one‐level restricted additive Schwarz preconditioner with a block‐incomplete factorization within each partitioned sub‐domains is utilized for the modified system. The accuracy and performance of the proposed algorithm are verified for the several benchmark problems including a pressure pulse in a flexible circular tube, a flag interacting with an incompressible viscous flow, and so on. John Wiley & Sons, Ltd.     

Cost-effective and Facile Production of a Phosphorus-doped Graphite Electrode for the Electrochemical Determination of Pyridoxine

In this study; a sensitive, selective, and simple electrochemical sensor was developed to determine low concentration pyridoxine (Py) using a phosphorus-doped pencil graphite electrode (P-doped/PGE). Electrode modification was implemented using the chronoamperometry method at +2.0 V constant potential and 100 seconds in 0.1 mol L⁻¹ H₃PO₄ supporting electrolyte solution. The characterization processes of the P-doped/PGE were carried out using electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDX), and atomic force microscope (AFM) methods. In the concentration study, using the differential pulse voltammetry (DPV) method, a linear calibration plot was acquired in the concentration range of 0.5 to 300 μmol L⁻¹ Py. The limit of quantification (LOQ) and limit of detection (LOD) of the developed method were calculated as 0.219 μmol L⁻¹ and 0.0656 μmol L⁻¹, respectively. Detection of Py has been successfully performed on the P-doped/PGE in the beverage samples. As a result, the method developed has been shown to have fast, low cost, and simple for the sensitive and selective detection of Py as an effective electrode.