A chemoselective and one-pot synthesis of 5-hydroxy and 7-hydroxy coumarin derivatives

Abstract  An efficient one-pot reaction of dialkyl acetylenedicarboxylates with 2,4-dihydroxybenzo(or aceto)phenones in the presence of triphenylphosphine produces 5-hydroxy- and 7-hydroxycoumarin derivatives. The novel procedure features short reaction time, fairly good yields, and simple workup. Graphical abstract        

Stability of preserving lattice cubic functional equation in Menger probabilistic normed Riesz spaces

The aim of this paper is to investigate Hyers–Ulam–Rassias stability of preserving lattice functional equation in various spaces. First, we prove stability of generalized preserving lattice functional equation in Banach lattices. Next, we show stability of preserving lattice cubic functional equation in Menger probabilistic normed Riesz spaces.     

Modeling semiconductor devices by using Neuro Space Mapping

In this paper a new method for modeling semiconductor devices by use of the drift-diffusion (DD) model and neural networks is presented. Unlike the hydrodynamic (HD) model which is complicated, time consuming with high processing cost, the proposed method has lower complexity and lower simulation time. In this method the RBF neural network has been used for correcting parameters in the drift-diffusion model. Therefore solving approximate model (DD) causes to obtain accurate response. The proposed method is first applied to a silicon n-i-n diode in one dimension, and then to a silicon thin-film MOSFET in two-dimensions, both for interpolation and extrapolation. The obtained results for basic variables, i.e., electron and potential distribution for different voltages, confirm the high efficiency of the proposed method.     

Computing latest starting times of activities in interval-valued networks with minimal time lags

This paper deals with problems of determining possible values of earliest and latest starting times of an activity in networks with minimal time lags and imprecise durations that are represented by means of interval or fuzzy numbers. Although minimal time lags are practical in different projects, former researchers have not considered these problems.After proposing propositions which reduce the search space, a novel polynomial algorithm is presented to compute intervals of possible values of latest starting times in interval-valued networks with minimal time lags. Then, the results are extended to networks with fuzzy durations.     

Ultrasonic induced photoluminescence decay in sonochemically obtained cauliflower-like ZnO nanostructures with surface 1D nanoarrays

Cauliflower-like ZnO nanostructures with average crystallite size of about 55 nm which have surface one dimensional (1D) nanoarrays with 10 nm diameter were successfully fabricated through a simple sonochemical route. X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and room temperature photoluminescence (PL) characterizations were performed to investigate the morphological and structural properties of the obtained nanostructures. It has been shown that the synthesized cauliflower-like ZnO nanostructures irradiated UV luminescence and a green peak in visible band. Ultrasonic post-treatment of the particles for about 2 h increased the density of surface defects resulted in an increase in the green emission intensity.     

The Catalytic Reduction of Nitroanilines Using Synthesized CuFe2O4 Nanoparticles in an Aqueous Medium

The primary objective of this research is to investigate the reduction of 4‐nitroaniline (4‐NA) and 2‐nitroaniline (2‐NA) using synthesized copper ferrite nanoparticles (NPs) via facile one‐step hydrothermal method as a heterogeneous nano‐catalyst. Nitroanilines were reduced in the presence and without the catalyst with a constant amount (100 mg) of reducing agent of sodium borohydride (NaBH₄) at room temperature in water to amino compounds. To characterize the functional groups, size, structure, and morphology of as‐prepared magnetic NPs, FTIR, XRD, SEM, and TEM were employed. The UV‐Vis spectrum was utilized to explore the catalytic effect of CuFe₂O₄. The outcomes revealed that the synthesized CuFe₂O₄ as a heterogeneous magnetic nano‐catalyst catalyzed the reduction of 4‐NA and 2‐NA significantly faster than other candidate catalysts. The outcomes demonstrated that the catalyst catalyzed 4‐nitroaniline to para‐phenylenediamine (p‐PDA) and 2‐nitroaniline to ortho‐phenylenediamine (o‐PDA) with a constant rate of 7.49×10⁻² s⁻¹ and 3.19×10⁻² s⁻¹, and conversion percentage of 96.5 and 95.6, in 40 s and 90 s, sequentially. Furthermore, the nanoparticles could be recovered by a magnetic separation method and reused for six consecutive cycles without remarkable loss of catalytic ability.     

The investigation of the destructive effects of high-energy hydrogen ions on molybdenum and copper

Journal of Radioanalytical and Nuclear Chemistry - The effects of high-energy protons produced in the plasma focus device on molybdenum and copper metals were studied. Molybdenum and copper samples...     

Cu Nano particles immobilized on silk‐fibroin as a green and biodegradable catalyst for copper catalyzed azide‐terminal,internal alkynes cycloaddition

Copper immobilized on silk fibroin was successfully prepared and fully characterized using powder X‐ray diffraction, scanning electron microscopy–energy‐dispersive X‐ray spectroscopy, Fourier transform‐infrared, CHN elemental analysis, and inductively coupled plasma‐atomic emission spectroscopy. Catalytic activity of this catalyst was examined in the azide‐alkyne cycloaddition reaction with internal and terminal alkynes at room temperature under mild conditions. The reusability of the heterogeneous supported Cu catalyst was examined four times without significant loss of catalytic activity.     

A compare review about equilibrium conditions of semi-clathrate hydrate: experimental measurements visions and thermodynamic modeling aspects

The formation of gaseous (gas) hydrates for storage, separation and transportation application is essential. In this regard, a comprehensive study of this case is essential. Semi-clathrate hydrates have higher temperature stability and are formed in a stable range. The purpose of this study is review the experimental and modeling of the semi-clathrate hydrates, to investigate the equilibrium conditions for the formation/dissociation of them based on the type of thermodynamic promoters like TBAB, TBAC, TBAF, TBANO₃ and TBP groups. This review is consist of 4 overall section, at first an introduction to semi-clathrate hydrates has defined. After that, the experimental research has discussed through different gas systems such as CO₂, CH₄, N₂, H₂ etc. Also, the target of each study, like the CO₂ capture, separation of CH4, formation/dissociation equilibrium conditions, are expressed. Then, in the modeling section, the different types of thermodynamic modeling like, equaling fugacity, intelligence computing, Gibbs free energy minimization and Chen-Guo method are collected. At final section, a comparison between types of promoter showed that the addition of TBAF to aqueous solution has the best promotion effect on the CO₂ clathrate hydrate formation. Also, the results of comparing the concentration of promoters have shown that up to a certain amount of TBAB, the salt's role as a promoter and by addition concentration of promoter, has an inhibition effect. Also, besides the results of the comparison different promoters on equilibrium conditions of different gaseous hydrates, have indicated that, TBAB has the most significant impact on carbon dioxide hydrate.

     

Penicillamine functionalized B12N12 and B12CaN12 nanocages act as potential inhibitors of proinflammatory cytokines: A combined DFT analysis,ADMET and molecular docking study

The adsorption of penicillamine (PCA) on pure B₁₂N₁₂ and B₁₂CaN₁₂ nanocages in aqueous and chloroform solvents has been evaluated using density functional theory (DFT) calculations. The interaction of PCA on B₁₂N₁₂ nanocages is chemisorption through its four nucleophilic sites: amine, carbonyl, hydroxyl and thiol. The most stable adsorption configuration was achieved when zwitterionic PCA adsorbs via its carbonyl group in water with value of ?1.723 eV, in contrast, when neutral PCA adsorbs via its amine group in chloroform with value of ?1.68 eV. Intercalated calcium ion within B₁₂N₁₂ nanocage (B₁₂CaN₁₂) was shown to attract PCA onto nanocage surface, resulting in higher solubility and adsorption energy after their complexation in water and chloroform. The adsorption of multiple PCA molecules from their amine and carbonyl groups on pure and B₁₂CaN₁₂ nanocages were also evaluated where two and three molecules can be chemisorbed on boron atoms of the nanocage surfaces with the adsorption energy per PCA reduces slightly with the increasing the amount of drugs due to the curvature effects. Molecular docking study indicates that PCA from its NH₂ group on B₁₂CaN₁₂ nanocage has the best binding affinity and inhibition potential of tumor necrosis factor-alpha (TNF-α) and Interleukin-1 (IL-1) receptors as compared with the other adsorption systems. Molecular docking and ADMET analysis displayed that the chosen compounds pass Lipinski Rule and have appropriate pharmacokinetic features suitable as models for developing anti-inflammatory agents.