Synthesis,Spectroscopic Characterization and DFT/TD-DFT Calculations of new Fluorescent Derivatives of Imidazo[4′,5′:3,4]Benzo[<Emphasis Type="Italic">c</Emphasis>]Isoxazole

An increasingly wide variety of fluorescent compounds is used in biotechnology, genomics, immunoassays, array technologies, imaging, and drug discovery. Therefore, synthesis of fluorophores with novel structural features can be interesting and useful in various fields. In this paper, four new fluorescent heterocyclic compounds with high quantum yields are introduced. These new fluorophores are synthesized in moderate to high yields via regioselective nitration of 3-alkyl-8-(4-chlorophenyl)-3 H-imidazo[4′,5′:3,4]benzo[c]isoxazoles. The latter compounds are obtained from the reaction of 1-alkyl-5-nitro-1 H-benzoimidazoles with (4-chlorophenyl)acetonitrile in basic MeOH solution. Physical spectral (UV-vis, IR, ¹HNMR, ¹³C NMR, NOESY and fluorescence) and analytical data have established the structures of synthesized compounds. The fluorescence properties of new fluorescent heterocyclic compounds are studied. The fluorescence of all compounds is very intense and fluorescence quantum yields are high (> 0.52). Density functional theory (DFT) calculations are performed to provide the optimized geometries, relevant frontier orbitals and the prediction of ¹H NMR chemical shifts for confirming the exact structure of fluorescent compounds. Calculated electronic absorption spectra were also obtained by time-dependent density functional theory (TD-DFT) method.

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Synthesis of imidazo[4,5-<Emphasis Type="Italic">a</Emphasis>]acridones and imidazo[4,5-<Emphasis Type="Italic">a</Emphasis>]acridines as potential antibacterial agents

Abstract  New imidazo[4,5-a]acridone derivatives were synthesized from the rearrangement of 3H-imidazo[4′,5′:3,4]benzo[c]isoxazoles. New imidazo[4,5-a]acridines were obtained from the reaction of imidazo[4,5-a]acridones in boiling POCl₃. All of these compounds exhibited antimicrobial activities comparable to streptomycin as reference drug. Graphical abstract        

Synthesis of imidazo[4,5-a]acridones and imidazo[4,5-a]acridines as potential antibacterial agents

Abstract  

New imidazo[4,5-a]acridone derivatives were synthesized from the rearrangement of 3H-imidazo[4′,5′:3,4]benzo[c]isoxazoles. New imidazo[4,5-a]acridines were obtained from the reaction of imidazo[4,5-a]acridones in boiling POCl₃. All of these compounds exhibited antimicrobial activities comparable to streptomycin as reference drug.     

Direct electrical measurement of the conversion of metal acetates to metal sulfides by hydrogen sulfide

Copper acetate and related metal salt films react directly with hydrogen sulfide at room temperature to form metal sulfides, resulting in conductivity changes as large as 108. The observed changes in conductivity are related to the solubility product constant (Ksp) and the difference in conductivity between the metal salt and the resulting metal sulfide. A smaller Ksp indicates a more stable metal sulfide and, therefore, greater metal salt reactivity. Polyaniline nanofiber/metal salt composites were also examined and show metal sulfide conversion with changes in resistance up to 106. The direct electrical measurement of the conversion of metal salt to metal sulfide has the potential to be the basis of a new type of sensitive, thin-film chemical sensor.     

Simple adaptive output-feedback lag-synchronization of multiple time-delayed chaotic systems

In this letter, a simple adaptive output-feedback controller is designed for lag-synchronization of two multiple time-delayed chaotic systems in the presence of uncertainty, external disturbances, and input nonlinearity. Based on Lyapunov stability theorem and adaptive techniques, sufficient conditions for lag-synchronization of these two systems are achieved. To deal with the existence of unknown time-delays in the system dynamics, the novel Lyapunov-Krasovskii functionals are used. Finally, a numerical simulation is presented to show the effectiveness of the proposed chaos lag-synchronization scheme.     

A novel one-pot pseudo-five-component condensation reaction towards bifunctional diazepine-tetrazole containing compounds: synthesis of 1H-tetrazolyl-1H-1,4-diazepine-2,3-dicarbonitriles and 1H-tetrazolyl-benzo[b][1,4]diazepines

A novel and efficient method has been developed for the one-pot synthesis of bifunctional diazepine-tetrazole containing compounds. 1H-Tetrazolyl-1H-1,4-diazepine-2, 3-dicarbonitrile and 1H-tetrazolyl-benzo[b][1,4]diazepine derivatives were synthesized in good yields using 2,3-diaminomaleonitrile or an aromatic diamine, ketones, trimethylsilyl azide, and an isocyanide in the presence of p-toluenesulfonic acid as a catalyst in methanol at room temperature.     

Electrical and optical characteristics of porous silicon impregnated with LaF3 by a novel chemical bath technique

The structural, electrical and optical characteristics of porous silicon (PS) due to the impregnation of LaF₃ into PS by a novel chemical-bath deposition (CBD) technique have been investigated in this article. Without removing the PS from the anodization chamber the impregnation with LaF₃ has been done by reacting LaCl₃ with HF in the same chamber at room temperature. The impregnation of LaF₃ was confirmed by the SEM on the cross-section of the LaF₃/PS/Si system and EDX. The modification of PS surface by LaF₃ had direct influence on the electrical and optical properties of PS. Electrical properties of Ag/LaF₃/PS/p-Si/Ag structures were studied through the current-voltage (I-V) and capacitance-voltage (C-V) characteristics. Formation of metal-insulator-semiconductor (MIS) diode was evident whose forward current increased with annealing. A diode factor of about 2.4 has been obtained for the annealed heterostructure indicating a high density of trap states. The C⁻²-V curves of all samples showed negative flat band voltage of around −2 V confirming a large number of fixed positive charges in the LaF₃. The photoluminescence (PL) intensity of the LaF₃-impregnated PS showed aging for the as-deposited samples, but when annealed PS structure recovered the PL intensity. Experimental results show that the optimized chemical bath passivation process for the LaF₃ on porous silicon could enable the porous silicon to be an important material for photonic application.     

An efficient one‐pot synthesis of a new heterocyclic system with high‐fluorescent properties

Nucleophilic substitution of hydrogen in nitro derivative of imidazo[1,2‐a]pyridine has been used as a key step in the one‐pot synthesis of a new highly fluorescent heterocyclic system pyrido [1″,2″:1′,2′]imidazo[4′,5′:5,6]pyrido[2,3‐b]indole. J. Heterocyclic Chem., (2012).     

Phase proportioning in CuAlBe shape memory alloys during thermomechanical loadings using electric resistance variation

The microstructure of shape memory alloys changes with the thermomechanical history of the material. During thermomechanical loading, austenite, thermally-induced martensite or stress-induced martensite can be simultaneously present in the material. In applications integrating SMA parts, utilization conditions seriously affect the microstructure and can generate macroscopic strain or stress. Consequently, during thermomechanical loadings, it is important to be able to proportion the different phases and consequently to understand the kinetic transformation. This is very useful in the development of constitutive equations. This study shows, by a series of tests, that the proposed experimental method, based on the measurement of the variation of electric resistance of CuAlBe wires, permits to determine the volume fraction of the different phases present in the material (i.e., austenite, stress-induced martensite and thermally-induced martensite). The proposed method is applied to the most common thermomechanical behavior met in engineering applications of shape memory alloys: pseudoelasticity, pseudoplasticity, recovery-stress and stress-assisted two-way shape memory effect. The proportioning method based on a mixture law integrating the resistivity of pure phases present in the SMA is first performed on different two-phase mixture cases and then applied to a three phase mixture case.     

Characterization and Molecular Docking Study of New 4-Acetamidoalkyl Pyrazoles As B-Raf /Cox-2 Inhibitors

Several new 4-acetamidoalkyl pyrazoles are synthesized by an efficient, one-pot three-component reaction of 3,5-dimethyl-1-phenyl-1H-pyrazole or 3-methyl-1-phenyl-1H-pyrazol-5-ol, aromatic aldehydes, and acetonitrile in the presence of chlorosulfonic acid at room temperature. The products are characterized based on IR, ¹H and ¹³C NMR data and evaluated as potential COX-2 and B-Raf inhibitors by molecular docking studies. All the products showed the potency of B-Raf and COX-2 inhibitory effects with a greater binding affinity to B-Raf than COX-2 protein.