The peridynamic differential operator for solving time-fractional partial differential equations

Nonlinear Dynamics - In this paper, the numerical solution of time-fractional convection diffusion equations (TF-CDEs) is considered as a generalization of classical ones, nonexponential relaxation...     

Density functional theory study of the Fourier transform infrared and Raman spectra of Cu(II) bis-acetylacetone

Fourier transform infrared and Fourier transform Raman spectra of Cu(II) bis-acetylacetone have been obtained. The geometry, frequency and intensity of the vibrational bands of this compound and its 1,5-(13)C(2), 3-(13)C, 1,3,5-(13)C(3), 2,4-(13)C(2), (18)O(2) and 2,4-(13)C(2)-(18)O(2) derivatives were obtained by the density functional theory (DFT) with the B3LYP functional and using the 6-31G(*) and 3-21G(*) basis sets. The calculated frequencies are compared with the solid infrared and Raman spectra. All the measured infrared and Raman bands were interpreted in terms of the calculated vibrational modes. The percentage of deviation of the bond lengths and bond angles gives a good picture of the normal modes, and serves as a basis for the assignment of the wavenumbers. Most computed bands are predicted to be at higher wavenumbers than the experimental bands. The calculated geometrical parameters show slight differences compared with the experimental results. These differences can be explained by the different physical state of Cu(II) bis-acetylacetone. The DFT-B3LYP calculations assumed a free molecule in the gas phase. Analysis of the vibrational spectra indicates a strong coupling between the chelated ring modes.     

A new formulation and free vibration analysis of a nonlinear geometrically exact spinning Timoshenko beam

Meccanica - In this paper, a set of generalized nonlinear equations of motion for Timoshenko spinning beams (shafts) is derived by using the concept of geometrically exact theory. After...     

Studies of the formation of all-carbon quaternary centres, en route to lyngbyatoxin A. A comparison of phenyl and 7-substituted indole systems

Copper mediated allylic substitutions and conjugate additions to geranyl, cinnamyl and allylic indole compounds have been investigated with the aim of finding a method for the creation of the all-carbon quaternary centre present in the natural product lyngbyatoxin A. Reaction conditions have been found giving a 68% SN2' selectivity in the copper mediated addition of PhMgBr to geranyl chloride, as well as 99% and 95% SN2' selectivity in the copper catalysed addition of EtMgBr to cinnamyl chloride and acetate, respectively. When the optimised reaction conditions were applied to the corresponding allylic compounds containing a 7-substituted indole moiety, the regioselectivity was reversed giving only the SN2 product. The allylic indole-containing substrates were also found to be unproductive in Pd- or Mo-catalysed SN2'-type substitution reactions. In related studies, copper catalysed conjugate addition of EtMgBr to the tricyclic lactam 6-methyl-pyrrolo[3,2,1-ij]quinolin-4-one gave a maximum of 20% of the 1,4-addition product.     

Damage detection and denoising in two-dimensional structures using curvelet transform by wrapping method

The main objectives of this study are to present a vibration-based damage identification method and also a denoising mode shape approach applicable to two-dimensional structures using curvelet transform. For this purpose, the curvelet transform via wrapping method is employed. The reliability of the proposed technique is demonstrated through a verification study by comparing the results of numerical and those of the experimental data in plate structures. Two case studies, one-story and three-story shear walls assuming damages at arbitrary locations, are examined in which different noise levels are included. Good agreement between the simulated and assumed damage in both example is demonstrated. The results confirm the robustness and high performance of the proposed method in detecting the damage in plate structure and eliminating the noises.     

A Novel Approach for the Synthesis of Furopyrimidine and Oxobenzofuran Derivatives

A novel, efficient one‐pot approach for the synthesis of furopyrimidine and oxobenzofuran derivatives 4 by a multicomponent reaction of an isocyanide, an aldehyde, and a CH‐acid compound in CH₂Cl₂ is reported (Scheme 1 and Table). The reactions were completed after 20 h at room temperature. This method has the advantages of high yields, simple methodology, and easy workup.     

Corrosion and biological behavior of nanostructured 316L stainless steel processed by severe plastic deformation

Nanostructured metals have different mechanical, chemical, and physical behaviors in comparison with the microstructured ones. Numerous research studies demonstrated that the biological behavior of nanostructured metallic implants was improved significantly. Concerning the nanostructured metals, decreasing the corrosion rate and the releasing of hazardous ions from metallic implants, and thus increasing the biocompatibility of implants are due to improving the native oxide layer. In the present study, nanostructured 316L stainless steel (biomedical grade) was manufactured via equal channel angular pressing (ECAP) method. To do so, the 316L stainless steel (SS) was exposed to the ECAP operation for eight passes. The impact of the ECAP process on corrosion behavior of SS samples was evaluated through performing the electrochemical polarization corrosion tests in Ringer's solution. Scanning electron microscopy was employed to study the surface morphology of common SS and ECAPed SS sample after the electrochemical polarization tests. Moreover, the biological behavior of the samples was evaluated via cell culture using fibroblast cells. The corrosion test results revealed a substantial decrease of corrosion rate from 3.12 (coarse‐grained sample) to 0.42 μA cm^?2 (for nanostructured). Furthermore, the cell proliferation in the interface of nanostructured sample and cell culture medium enhanced dramatically compared with the coarse‐grained one. The much better biological behavior of nanostructured SS sample in comparison with the coarse‐grained one is mostly due to the significant decrease of corrosion rate on the surface of SS samples, and the presence of much more chrome oxide on the surface of SS sample. Copyright © 2015 John Wiley & Sons, Ltd.     

Improved hydrogen evolution on glassy carbon electrode modified with novel Pt/cetyltrimethylammonium bromide nanoscale aggregates

A novel, cost‐effective, and simple electrocatalyst based on a Pt‐modified glassy carbon electrode (GCE), using cetyltrimethylammonium bromide (CTAB) as a cationic surfactant, is reported. Am‐phiphilic...     

Semi-automated salt-assisted liquid–liquid extraction coupled to high-performance liquid chromatography to determine three aromatic hydrocarbons in aqueous samples

In this study, a new device for semi-automated salt-assisted liquid–liquid extraction was designed and coupled with high-performance liquid chromatography (HPLC) to determine three aromatic hydrocarbons in aqueous samples. In order to evaluate the performance of the designed device, three aromatic hydrocarbons including 2-naphthol, naphthalene and anthracene were selected as model analytes. Sample solution, extraction solvent and salt solution using separate channels were transferred to a sample holder, respectively. These three components were mixed using a magnetic stirrer. After stirrer stopping, the aqueous and organic phases were separated and organic layer transferred to the injection loop of HPLC system. Optimization process was achieved using response surface methodology by Design-Expert software. A central composite design was used to optimize the main parameters including pH (A), stirrer time (B), organic solvent volume (C) and salt concentration (D). The limit of quantitation for 2-naphthol, naphthalene and anthracene was 15.0, 25.0 and 1.0 ng mL^?1, respectively. Under the optimum conditions, obtained recoveries for three analytes were in the range of 76.0–96.2% with relative standard deviation less than 8.2%. The salt-assisted liquid–liquid extraction method using the proposed device has been successfully used for the analysis of real samples containing studied analytes in various matrices.