Light-induced water oxidation by a Ru complex containing a bio-inspired ligand

The new Ru complex 8 containing the bio-inspired ligand 7 was successfully synthesized and characterized. Complex 8 efficiently catalyzes water oxidation using Ce(IV) and Ru(III) as chemical oxidants. More importantly, this complex has a sufficiently low overpotential to utilize ruthenium polypyridyl-type complexes as photosensitizers.     

Vibrational analysis of carbon nanotubes using molecular mechanics and artificial neural network

This paper presents the molecular mechanics based finite element modeling of carbon nanotubes (CNTs) and their applications as mass sensors. The beam element with elastic behavior is considered as the bond between the carbon atoms and its properties are obtained using equating continuum and molecular characteristics. The first five natural frequencies of CNTs in cantilever and doubly clamped boundary conditions (BCs) and their corresponding mode shapes are studied in detail. Furthermore, a multilayer perceptron neural network is used to predict the fundamental vibration frequencies of the CNTs with different diameters and lengths. In addition, variations of the natural frequencies of the CNTs with distorted cross sections are investigated. Moreover, the effects of some attached masses with various values on the first three natural frequencies of a considered CNT are studied here.     

A modified simplex partition algorithm to test copositivity

Journal of Global Optimization - A real symmetric matrix A is copositive if $$x^\top Ax\ge 0$$ for all $$x\ge 0$$ . As A is copositive if and only if it is copositive on the standard simplex,...     

Infrared spectroscopic and chemometric approach for identifying binding medium in Sukias mansion’s wall paintings

Abstract

This paper addresses the application of infrared spectroscopy in combination with chemometrics to identify wall painting’s binding medium while employing pattern recognition techniques to process FTIR data-set of complex samples. In this regard, based on the historical documents and previous researches, firstly 56 standard samples were prepared to represent strata of Persian wall paintings in the Safavid period in addition to real historic samples from the case study; Sukias mansion. Then, each sample was analysed by the means of FTIR and chemometrics. Finally, SIMCA was applied to the whole region of studied IR spectra which predicted egg yolk as the binding medium of Sukias mansion samples.     

Facile synthesis of monodispersed Pd nanocatalysts decorated on graphene oxide for reduction of nitroaromatics in aqueous solution

Research on Chemical Intermediates - We synthesized the reproducible heterogeneous catalyst of graphene oxide (GO)-supported palladium nanoparticles (NPs) via a simple and green process. The...     

Synthesis and Crystal Structure of Dichlorido{2-[(4-Methoxyphenyl)Iminomethyl]pyridine-k2N,N'}zinc

Crystallography Reports - A coordination complex, [Zn(L)Cl2], consisting of ZnCl2 and Schiff base bidentate ligand (4-methoxyphenyl)pyridine-2ylmethyleneamine (L) was prepared and structurally...     

Synthesis of magnetic nanoparticle‐based molecularly imprinted polymer as a selective sorbent for efficient extraction of ezetimibe from biological samples

In the present study, a novel and efficient adsorbent constructed of molecularly imprinted polymer on the surface of modified magnetic nanoparticles with oleic acid (MNPs) was applied for the selective extraction of ezetimibe. The magnetic molecularly imprinted polymer (MMIP) was polymerized at the surface of modified MNPs using methacrylic acid as functional monomer, ezetimibe as template and ethylene glycol dimethacrylate as cross‐linker. The resulting MMIP showed high adsorption capacity, good selectivity and fast kinetic binding for the template molecule. It was characterized by Fourier transform infrared analysis, scanning electron microscopy and transmission electron microscopy methods. The maximum adsorption capacity of MMIP was obtained as 137.1 mg g^?1 and it took about 20 min to achieve the equilibrium state. The adsorption model of the adsorbent was fitted with the Freundlich and Langmuir isotherm equations. The assay exhibited a linear range of 0.003–20.000 mg L^?1 for ezetimibe with a correlation coefficient of 0.995. The relative standard deviations for the recoveries were <5.2. The method was also examined for the analysis of ezetimibe in the biological samples.     

Synthesis and labeling of p-NH2-Bn-DTPA-(Dabcyl-Lys6,Phe7)-pHBSP with 99mTc as a radiopeptide scintigraphic agent to detect cardiac ischemia

Journal of Radioanalytical and Nuclear Chemistry - Myocardial ischemia and infarction represent a major health burden worldwide, but their immediate diagnosis can reduce mortality and healthcare...     

Effects of TLCD with maneuverable flaps on vibration control of a SDOF structure

Tuned liquid column damper (TLCD) is a class of auxiliary damping device which is used to dissipate vibrational energy of structures when excited by dynamic loading. Damping control of TLCDs is an important parameter to achieve the maximum benefit of TLCDs when attached to the structure. Herein, a new method of controlling damping is proposed by installing maneuverable flaps into TLCD (TLCD + MF). The damping value of the TLCD is controlled by the closing angle of the flaps. This method is simple in concept, more applicable in construction, and it is an effort to make the TLCD more controllable, (i.e. semi-active). Dynamic characteristics of such TLCD + MF system are investigated in this study. It is observed that by increasing the closing angle, the damping ratio of the TLCD + MF system increases. In addition, it is found that the mistuning of frequency becomes ignorable below the closing angle of 50°. The efficiency of the TLCD + MF in reducing response of structures under harmonic excitation is also studied. It is shown that existence of the flaps improves the performance of combined structure and the TLCD + MF system in terms of damping ratio and structural responses. The TLCD + MF system with the closing angle of 50° reduces the acceleration and displacement responses about 20 % more than conventional TLCDs.     

A Petrov–Galerkin RBF method for diffusion equation on the unit sphere

This paper concerns a numerical solution for the diffusion equation on the unit sphere. The given method is based on the spherical basis function approximation and the Petrov–Galerkin test discretization. The method is meshless because spherical triangulation is not required neither for approximation nor for numerical integration. This feature is achieved through the spherical basis function approximation and the use of local weak forms instead of a global variational formulation. The local Petrov–Galerkin formulation allows to compute the integrals on small independent spherical caps without any dependence on a connected background mesh. Experimental results show the accuracy and the efficiency of the new method.