Multi-block Nonconvex Nonsmooth Proximal ADMM: Convergence and Rates Under Kurdyka–Łojasiewicz Property

Journal of Optimization Theory and Applications - We study the convergence and convergence rates of a multi-block proximal alternating direction method of multipliers (PADMM) for solving linearly...     

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.

     

Synthesis of nanomagnetic supported thiourea–copper(I) catalyst and its application in the synthesis of triazoles and benzamides

A novel nanomagnetic supported thiourea–copper(I) complex and inorganic–organic Takemoto‐like hybrid nanomagnetic catalyst was designed, and synthesized. The prepared naomagnetic catalyst was characterized using Fourier transform infrared spectroscopy, X‐ray diffraction, energy‐dispersive X‐ray analysis, transmission and scanning electron microscopies, thermogravimetry, nitrogen adsorption/desorption, zeta potential and vibrating sample magnetometry. Furthermore, the fabricated dual‐role inorganic–organic hybrid catalyst shows a striking and robust catalytic activity for the synthesis of triazoles and benzamides through click and coupling reactions, respectively, under mild and eco‐friendly reaction conditions.     

Minimal relative entropy for equivalent martingale measures by low-discrepancy sequence in Lévy process

In this paper, we focused on computing the minimal relative entropy between the original probability and all of the equivalent martin gale measure for the Lévy process. For this purpose, the quasiMonte Carlo method is used. The probability with minimal relative entropy has many suitable properties. This probability has the minimal Kullback-Leibler distance to the original probability. Also, by using the minimal relative entropy the exponential utility indifference price can be found. In this paper, the Monte Carlo and quasi-Monte Carlo methods have been applied. In the quasi-Monte Carlo method, two types of widely used lowdiscrepancy sequences, Halton sequence and Sobol sequence, are used. These methods have been used for exponential Lévy process such as variance gamma and CGMY process. In these two processes, the minimal relative entropy has been computed by Monte Carlo and quasi-Monte Carlo, and compared their results. The results show that quasi-Monte Carlo with Sobol sequence performs better in terms of fast convergence and less error. Finally, this method by fitting the variance gamma model and parameters estimation for the model has been implemented for financial data and the corresponding minimal relative entropy has been computed.     

Application of a Modified Carbon Paste Electrode Using Core–Shell Magnetic Nanoparticle and Modifier for Simultaneous Determination of Norepinephrine,Acetaminophen and Tryptophan

Russian Journal of Electrochemistry - The current study was conducted to synthesize 2-(4-ferrocenyl-[1,2,3]triazol-1-yl)-1-(naphthalen-2-yl) ethanone (2FTNE) as a mediator and magnetic...     

Synthesis,characterization, and application of CoFe2O4@TRIS@sulfated boric acid nanocatalyst for the synthesis of 2-amino-3-cyanopyridine derivatives

Research on Chemical Intermediates - The aim of this research is the synthesis of a novel acidic nanocatalyst using the layer-by-layer assembly technique. The CoFe2O4@TRIS@sulfated boric acid...     

Magnetic solid-phase extraction of organophosphorus pesticides from apple juice and environmental water samples using magnetic graphene oxide coated with poly(2-aminoterephthalic acid-co-aniline) nanocomposite as a sorbent

An effective magnetic solid-phase extraction method was proposed using magnetic graphene oxide coated with poly(2-aminoterephthalic acid-co-aniline) as a sorbent for preconcentration and extraction of organophosphorus pesticides from environmental water and apple juice samples, and determined using the gas chromatography-mass spectrometry analysis. To approve the successful synthesis of the magnetic nanocomposite, the prepared sorbent was characterized by field emission scanning electron microscopy, X-ray diffraction, vibrating sample magnetometer, and Fourier transforms infrared techniques. The main parameters affecting the extraction efficiency were considered and studied to afford an optimized procedure. Systematic method validation verified its suitable recoveries (89.4–107.3%), and precision (relative standard deviations < 6.8%). The method showed a wide linear dynamic range (0.04–700 ng/mL) with low limits of detection (0.01–0.06 ng/mL) and quantification (0.04–0.21 ng/mL). This method presented good potential and great sensitivity for the pesticides determination.     

Type II c-Met inhibitors: molecular insight into crucial interactions for effective inhibition

The c-Met tyrosine kinase plays an important role in human cancers. Preclinical studies demonstrated that c-Met is over-expressed, mutated and amplified in a variety of human tumor types and design of more potent c-Met inhibitors is a priority. In this study, 14 molecular dynamics simulations of potent type II c-Met inhibitors were run to resolve the critical interactions responsible for high affinity of ligands towards c-Met considering the essential flexibility of protein–ligand interactions. Residues Phe1223 and Tyr1159, involved in pi-pi interactions were recognized as the most effective residues in the ligand binding in terms of binding free energies. Hydrogen bond interaction with Met1160 was also found necessary for effective type II ligand binding to c-Met.

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Pd(0) complex of fuberidazole modified magnetic nanoparticles: A novel magnetically retrievable high-performance catalyst for Suzuki and Stille C-C coupling reactions

Fuberidazole has been successfully immobilized onto nano-Fe₃O₄ supported (3-chloropropyl)trimethoxysilane (3-CPTS) leading to a novel functionalized magnetic nanoparticle (FB/MNP). The Pd(0) complex, Pd-FB/MNP, was prepared by grafting Pd (OAc)₂ on FB/MNP and subsequent reduction of a synthesized Pd (II) complex using NaBH₄. Pd-FB/MNP has been characterized by FT-IR, SEM, TGA, XRD, ICP, EDS, BET and VSM. The Pd(0) complex proved to be an efficient phosphine- and halide-free recyclable heterogeneous catalyst for Suzuki as well as for Stille C-C coupling reactions showing high catalytic activity (up to 98%). Its catalytic activity in both reactions has been studied in PEG-400 as a green solvent. Besides, the selectivity of aryl iodide and aryl bromide over aryl chloride is observed during the C-C coupling reaction. The catalyst could be recovered easily from the reaction mixture using an external magnet device and recycled several times without considerable loss in activity. Additionally, the results of a palladium leaching test of the nano-catalyst demonstrate that no leaching of Pd took place during the C-C coupling process making the procedure environmentally friendly.     

Green synthesis of pyrido[2,1-a]isoquinolines and pyrido[1,2-a]quinolins using Fe3O4-MNPs as efficient nanocatalyst: Study of antioxidant activity

In this work, synthesis of pyrido[2,1-a]isoquinolines and pyrido[1,2-a]quinolins in excellent yield using multicomponent reaction of phthalaldehyde, methyl amine, methyl malonyl chloride, alkyl bromides, and triphenylphosphine in the presence of catalytic amount of Fe₃O₄-MNPs with aqueous sodium hydroxide at 80°C was investigated. The reduction of ferric chloride solution with Clover Leaf water extract caused to synthesis of magnetic iron oxide nanoparticles (Fe₃O₄-MNPs) as a green method. As well, antioxidant activity was studied for the some newly synthesized compounds such as 6a , 6c , 9b , and 9c using the DPPH radical trapping and reducing of ferric ion experiments and comparing results with synthetic antioxidants (TBHQ and BHT). As a result, compounds 6a , 6c , 9b , and 9c show good DPPH radical trapping and excellent reducing strength of ferric ion.