Ultrasound-enhanced Green Synthesis of 5,5-Diphenylhydantoin Derivatives Using Symmetrical or Unsymmetrical Benzils

A rapid, highly efficient and mild green synthesis of 5,5‐diphenylhydantoin derivatives was achieved from the reaction of symmetrical or unsymmetrical benzil derivatives with urea in the presence of ethanolic KOH under ultrasound irradiation. This simple method affords 5,5‐diphenylhydantoin derivatives at room temperature in short reaction time with high yield and purity. This study aimed to overcome the limitations and drawbacks of the reported methods such as tedious work‐up, low yield and long reaction time.     

A computational study of water adsorption on boron nitride nanotube

The effect of water molecule adsorption on the surface of (5,0) zigzag boron nitride nanotube was studied by density functional theory calculations. Geometrical optimizations were carried out at the B3LYP/6-31+G* level of theory. Six different configurations of water molecule(s) adsorption process including monomer (1WB and 1WN), dimer (2WB, 2WNN, and 2WBN), and trimer (3WB) clusters were obtained. The strengths of interactions were analyzed by the equilibrium geometries, binding energies, and charge transfer. The natural bonding analysis was also performed to investigate electronic properties. The results reveal that the adsorption of water is more favorable as the water cluster size increases.     

Development of 166Ho bleomycin as a possible therapeutic complex

Due to interesting therapeutic properties of ¹⁶⁶Ho and the antineoblastic antibiotic, bleomycin (BLM), ¹⁶⁶Ho-bleomycin (¹⁶⁶Ho-BLM) was developed as a possible therapeutic compound. ¹⁶⁶Ho chloride was obtained by thermal neutron irradiation (1 × 10¹³ n cm^?2 s^?1) of natural Ho(NO₃)₃ samples (specific activity = 3–5 GBq mg^?1), dissolved in acidic media. At optimized conditions (room temperature, 12 h, 0.15–0.3 mg bleomycin for 74 MBq ¹⁶⁶HoCl₃) a radiochemical purity of 94–97% was obtained as shown by ITLC and HPLC (specific activity, 700–740 GBq mmol^?1). Biodistribution studies of ¹⁶⁶Ho chloride and ¹⁶⁶Ho-BLM were performed in wild-type rats. The accumulation of the radiolabeled compound in lungs, liver and spleen demonstrates a similar pattern to the other radiolabeled bleomycins.     

Nonlinear vibration and instability of embedded double-walled boron nitride nanotubes based on nonlocal cylindrical shell theory

This paper investigates the nonlinear vibration and instability of the embedded double-walled boron nitride nanotubes (DWBNNTs) conveying viscous fluid based on nonlocal piezoelasticity cylindrical shell theory. The elastic medium is simulated as Winkler–Pasternak foundation, and adjacent layers interactions are assumed to have been coupled by van der Walls (vdW) force evaluated based on the Lennard–Jones model. The nonlinear strain terms based on Donnell’s theory are taken into account. The Hamilton’s principle is employed to obtain coupled differential equations, containing displacement and electric potential terms. Differential quadrature method (DQM) is applied to estimate the nonlinear frequency and critical fluid velocity for clamped supported mechanical and free electric potential boundary conditions at both ends of the DWBNNTs. Results indicated that some parameters including nonlocal parameter, elastic medium’s modulus, aspect ratio and vdW force have significant influence on the vibration and instability of the DWBNNT while the fluid viscosity effect is negligible. In addition, the low aspect ratio should be taken into account for DWBNNT in optimum design of nano/micro devices.     

Activity-stability parameterization of homogeneous green oxidation catalysts

Small-molecule synthetic homogeneous-oxidation catalysts are normally poorly protected from self-destruction under operating conditions. Achieving design control over both activity and half-life is important not only in advancing the utility of oxidation catalysts, but also in minimizing hazards associated with their use and disposal. Iron(III)-TAML (tetraamido-macrocyclic ligand) oxidant catalysts rapidly activate H(2)O(2) for numerous significant processes, exhibiting high and differing activity and varying half-lives depending upon the TAML design. A general approach is presented that allows for the simultaneous determination of the second-order rate constant for the oxidation of a targeted substrate by the active catalyst (k(II)) and the rate constant for the intramolecular self-inactivation of the active catalyst (k(i)). The approach is valid if the formation of the active catalyst from its resting state and the primary oxidizing agent, measured by the second-order rate constant k(I), is fast and the catalyst concentration is very low, such that bimolecular inactivation pathways can be neglected. If the oxidation process is monitored spectrophotometrically and is set up to be incomplete, the kinetic trace can be analyzed by using the equation ln(lnA(t))/A(infnity)=ln(k(II)/k(i)[Fe(III)](tot)-k(i)t, from which k(II) and k(i) can be determined. Here, A(t) and A(infinity) are absorbances at time t and at the end of reaction (t=infinity), respectively, and [Fe(III)](tot) is the total catalyst concentration. Several tools were applied to examine the validity of the approach by using a variety of different Fe(III)-TAML catalysts, H(2)O(2) and tBuOOH as oxidizing agents, and the dyes safranine O and orange II as target substrates. Learning how catalyst activities (k(II)) and catalyst half-lives (k(i)) can be controlled by ligand design is an important step in creating green catalysts that will not persist in the environment after they have achieved their purpose.     

A convenient method for 14C-labeling of 2-methylthio-1-[4-N-α-ethoxycarbonylbenzyl)-amino-benzyl]-5-hydroxymethyl-2-[14C]-1H-imidazole and 1-[4-N-α-ethoxy-carbonylbenzyl)-aminobenzyl]-5-hydroxymethyl-2-[14C]-1H-imidazole as potential antihypertensives

The key synthetic intermediate, (2-mercapto-1-(4-nitrobenzyl)-1H-imidazol-5-yl)methanol-[2-¹⁴C], has been synthesized by using one pot procedure from potassium[¹⁴C]-thiocyanate. It was converted to two nonpeptide angiotensin II receptor antagonists, 2-methylthio-1-[4-N-α-ethoxycarbonyl benzyl)-aminobenzyl]-5-hydroxymethyl-1H-imidazole-[2-¹⁴C] and 1-[4-N-α-ethoxy-carbonylbenzyl)-aminobenzyl]-5-hydroxymethyl-1H-imidazole-[2-¹⁴C] via a 3-step sequence synthetic pathway.     

Electro-thermo-mechanical torsional buckling of a piezoelectric polymeric cylindrical shell reinforced by DWBNNTs with an elastic core

The effect of partially filled poly ethylene (PE) foam core on the behavior of torsional buckling of an isotropic, simply supported piezoelectric polymeric cylindrical shell made from polyvinylidene fluoride (PVDF), and subjected to combined electro-thermo-mechanical loads has been analyzed using energy method. The shell is reinforced by armchair double walled boron nitride nanotubes (DWBNNTs). The core is modeled as an elastic environment containing Winkler and Pasternak modules. Using representative volume element (RVE) based on micromechanical modeling, mechanical, electrical and thermal characteristics of the equivalent composite were determined. Critical buckling load is calculated using strains based on Donnell theory, the coupled electro-thermo-mechanical governing equations and principle of minimum potential energy. The results indicate that buckling strength increases substantially as harder foam cores are employed i.e. as E_c/E_s is increased. The most economic in-fill foam core is at η = 0.6, as cost increases without much significant improvement in torsional buckling at higher η’s.     

Numerical study of mixed convection flow in a lid-driven cavity with sinusoidal heating on sidewalls using nanofluid

Mixed convection flow of Cu–water nanofluid inside a lid-driven square cavity with adiabatic horizontal walls and sinusoidal heating on sidewalls has been investigated numerically. The effects of increase in shear force for a fixed buoyancy force and effects of increase in buoyancy force for a fixed shear force were investigated. Effects of variations of Richardson number, phase deviation of sinusoidal heating, and volume fraction of nanoparticles on flow and temperature field were studied. The obtained results showed that for a constant Grashof number at all Richardson numbers, a clockwise eddy was developed inside the cavity, also the rate of heat transfer increases with decrease in Richardson number and increase of volume fraction of nanoparticles. For a constant Reynolds number the clockwise eddy is observed up to Ri = 1. For Ri = 10 a multicellular flow pattern is formed inside the cavity. Moreover it was found that when the Reynolds number is kept constant, the rate of heat transfer increases with increase in Richardson number.     

Buckling analysis and smart control of SLGS using elastically coupled PVDF nanoplate based on the nonlocal Mindlin plate theory

This study presents an analytical approach for buckling analysis and smart control of a single layer graphene sheet (SLGS) using a coupled polyvinylidene fluoride (PVDF) nanoplate. The SLGS and PVDF nanoplate are considered to be coupled by an enclosing elastic medium which is simulated by the Pasternak foundation. The PVDF nanoplate is subjected to an applied voltage in the thickness direction which operates in control of critical load of the SLGS. In order to satisfy the Maxwell equation, electric potential distribution is assumed as a combination of a half-cosine and linear variation. The exact analysis is performed for the case when all four ends are simply supported and free electrical boundary condition. Adopting the nonlocal Mindlin plate theory, the governing equations are derived based on the energy method and Hamilton's principle. A detailed parametric study is conducted to elucidate the influences of the small scale coefficient, stiffness of the internal elastic medium, graphene length, mode number and external electric voltage on the buckling smart control of the SLGS. The results depict that the imposed external voltage is an effective controlling parameter for buckling of the SLGS. This study might be useful for the design and smart control of nano-devices.