Theoretical study of chloropyrroles as monomers for new conductive polymers

Electronic, structural, electrochemical, and spectroscopic properties of all ground-state neutral and singly ionized chlorine-substituted pyrroles and hexa(3-chloropyrrole) oligomer are studied using the density functional theory B3LYP method with the 6-31G(d,p) basis set. The effects of the number and position of the substituents on the electrochemical properties of the pyrrole ring have been studied and analyzed both quantitatively and qualitatively. By using the optimized structures obtained for these molecules and their cations, IR and NMR spectra have been predicted. The results of this study, including spin and charge distributions, show that, among all of these compounds, 3-chloropyrrole has the most suitable conditions for electropolymerization.     

An improvement to multiple criteria ABC inventory classification

In this paper we presented an extended version of the Ng-modelg [W.L. Ng, A simple classifier for multiple criteria ABC analysis, European Journal of Operational Research 177 (2007) 344–353] for multi-criteria inventory classification. The proposed model is a nonlinear programming model which determines a common set of weights for all the items. Our model not only incorporates multiple criteria for ABC classification, but also maintains the effects of weights in the final solution, an improvement over the model proposed by Ng. An illustrative example is presented to compare our model and the Ng-model.     

Magnetic nanoparticles supported Cu2+ and Ce3+ complexes: toward the chemical and electrochemical oxidation of alcohol and sulfide derivatives

Research on Chemical Intermediates - Heterogeneous catalysts are more prominent rather than homogenous catalysts since they are simply separated from products. To improve and develop heterogeneous...     

Electrochemical Derivatization of Acetaminophen for Indirect Determination of Eflornithine Using β‐CD Modified Glassy Carbon Electrode

In the present work, the oxidation of acetaminophen in the absence and presence of eflornithine was electrochemically investigated by means of cyclic voltammetry at a glassy carbon electrode (GCE). Our results indicate that N‐acetyl‐p‐benzoquinone imine (NAPQI) produced from two‐electron electrochemical oxidation of acetaminophen participates in a Michael addition reaction with eflornithine via an ECE mechanism. This fact was used for the determination of eflornithine using differential pulse voltammetry (DPV) technique on the surface of β‐Cyclodextrin modified glassy carbon (β‐CD/GC) electrode. β‐CD/GC electrode was prepared through an electrodeposition procedure and characterized by Fourier‐transform infrared spectroscopy (FT‐IR), Cyclic Voltammetry (CV), Field Emission Scanning Electron Microscopy (FESEM) and Energy‐dispersive X‐ray spectroscopy (EDS) techniques. Under optimum conditions, the β‐CD/GC electrode showed a good linearity as a function of the eflornithine concentration over the range from 5 to 100 μM with detection limit and quantification limit of 1.94 and 5.8 μM, respectively. Finally, the proposed protocol was confirmed to be successful in determination of eflornithine in human urine samples with good recovery, ranging from 97.2 % to 104.8 %.     

Multidimensional optimization of finite difference schemes for Computational Aeroacoustics

Because of the long propagation distances, Computational Aeroacoustics schemes must propagate the waves at the correct wave speeds and lower the isotropy error as much as possible. The spatial differencing schemes are most frequently analyzed and optimized for one-dimensional test cases. Therefore, in multidimensional problems such optimized schemes may not have isotropic behavior. In this work, optimized finite difference schemes for multidimensional Computational Aeroacoustics are derived which are designed to have improved isotropy compared to existing schemes. The derivation is performed based on both Taylor series expansion and Fourier analysis. Various explicit centered finite difference schemes and the associated boundary stencils have been derived and analyzed. The isotropy corrector factor, a parameter of the schemes, can be determined by minimizing the integrated error between the phase or group velocities on different spatial directions. The order of accuracy of the optimized schemes is the same as that of the classical schemes, the advantage being in reducing the isotropy error. The present schemes are restricted to equally-spaced Cartesian grids, so the generalized curvilinear transformation method and Cartesian grid methods are good candidates. The optimized schemes are tested by solving various multidimensional problems of Aeroacoustics.     

Synthesis of boronic acid‐functionalized poly(glycerol‐oligoγ‐butyrolactone): Nano‐networks for efficient electrochemical sensing of biosystems

Despite the outstanding properties of hyperbranched polyglycerols such as biocompatibility and multifunctionality, enough attention has not been paid to the synthesis of their functional copolymers. This problem has limited the structural diversity of hyperbranched polyglycerols and hampers further developments and their practical usage. In this work, butyrolactone segments were incorporated into the backbone of polyglycerols by one‐pot ring‐opening copolymerization of a mixture of glycidol and γ‐butyrolactone in the presence of tin(II) 2‐ethylhexanoate. Poly(glycerol‐oligoγ‐butyrolactone)s were then crosslinked by 2,5‐thiophenediylbisboronic acid to obtain polymeric nanonetworks with 140 nm average size. Afterwards, the gold electrode was modified by the polymeric nano‐networks, and it was used for the determination of glucose, glycated hemoglobin, and Escherichia coli in phosphate buffer solution (pH = 9.0) through cyclic voltammetry and impedance spectroscopic. Taking advantage of the straightforward synthesis, cheap precursors and multifunctionality of poly(glycerol‐oligoγ‐butyrolactone)s, they could be used for real‐time sensing of a wide range of biosystems. © 2019 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2019, 57, 1430–1439     

Simultaneous measurement of temperature and strain using a single fiber bragg grating on a tilted cantilever beam

Optical Review - Importance of simultaneous measurement of temperature and strain by fiber Bragg grating (FBG) sensors has led to innovation of several renewing techniques. Most of them are based...     

Laccase-catalyzed,aerobic oxidative coupling of 4-substituted urazoles with sodium arylsulfinates: Green and mild procedure for the synthesis of arylsulfonyl triazolidinediones

The direct aerobic oxidation of 4-substituted urazoles using the laccase enzyme from Trametes versicolor in a phosphate buffer solution at ambient temperature, and subsequent cross-coupling with sodium benzenesulfinates was investigated to afford arylsulfonyl-1,2,4-triazolidine-3,5-dione derivatives in good to high yields.     

Phytochemical fabrication,characterization, and antioxidant application of copper and cobalt oxides nanoparticles using <Emphasis Type="Italic">Sesbania sesban</Emphasis> plant

In this work, an ecofriendly and economic strategy for synthesize of CuO and Co₃O₄ were developed using extracted Sesbania sesban solution (ESS) as a reducing and stabilizing agent, and bioreactor. These novel nano metal oxides (NMOs) were characterized by high-resolution-transmission electron microscopy (TEM), EDAX thermo gravimetric analysis and X-ray diffraction (XRD). Morphology and size of them were investigated by TEM and the average sizes of for spherical CuO and Co₃O₄ nanoparticles are 20–40 and 15–30 nm, respectively. The XRD and EDAX confirmed the high purity for NMOs. The thermal behaviors of the NMOs exhibited good crystallographic stability within the investigated temperature range. The antioxidant and antibacterial activities of NMOs were investigated and compared to manganese(III) meso-tetraphenylporphyrin complex/Ag nanocomposite (Ag/P nanocomposite) synthesizing by ESS. The results obtained from this work showed that copper(II) oxide, cobalt oxide nanoparticles, and Ag/P nanocomposite have DPPH scavenging activity. On the other hand, NMOs have no antibacterial activity against Gram-negative bacterial strains. Cobalt oxide nanoparticles have antibacterial activity against Staphylococcus aureus, while Ag/P nanocomposite showed the antibacterial activities against both Gram-negative and Gram-positive bacterial strains.