Three-component synthesis of new unsymmetrical oxindoles via Friedel-Crafts type reaction

The synthesis of 2-(3-(4-(dimethylamino)phenyl)-2-oxoindolin-3-yl)-1H-indene-1,3(2H)-diones as new unsymmetrical oxindoles via a Friedel-Crafts type three-component reaction of 1,3-indandion, N,N-dimethylaniline and isatins in ethanol in the presence of LiClO₄ is reported.     

MgO Nanoparticles as a Recyclable Heterogeneous Catalyst for the Synthesis of Polyhydroquinoline Derivatives under Solvent Free Conditions

Magnesium oxide nanopartticels in average size between 35–120 nm were prepared by sonochemistry method. Synthesis of polyhydroquinoline derivatives using MgO nanoparticles from the reaction of dimedone, benzaldehyde, ethyl acetoacetate and ammonium acetate under solvent‐free conditions is reported. Easy handling, reusability, thermal stability and non‐toxicity of the catalyst make the present protocol as an eco‐friendly and economically acceptable method for synthesis of these heterocycles.     

Parallel vector analysis based soft resolution of spectral data from pH‐metric titration using symmetry constraint

In this study, a soft method is proposed to calculate concentration and spectral profiles for the two‐way spectral data from dissociation equilibria of polyprotic acids (H_nA). This method has four main distinct steps: (i) a fixed size moving window evolving factor analysis (FSMWEFA) was used to identify the local rank map, (ii) WFA was applied to calculate the concentration profiles of H_nA and Aⁿ⁻ (selection of the window for application of WFA was performed using EFA), (iii) PVA was used to calculate H_{n − 1}A to HA spectral profiles, and (iv) a symmetry constraint, in addition to the non‐negativity constraint, was utilized to obtain the unique concentration and spectral profiles from different acceptable sets of profiles. In the absence of any selective region in the spectral data, the proposed soft method resulted in unique solution without rotational ambiguity. This study is the first application of symmetry constraint on concentration profiles. The rotational ambiguity drastically decreased on considering the constraint of symmetry of the H_{n − 1}A and HA concentration profiles, in addition to non‐negativity of profiles. Simulated examples were used to confirm these approaches. Effect of closeness of dissociation constants on the estimated values of constants was investigated. The results showed that when the difference between pK_a values is more than 1.2, the obtained errors in the estimation of pK_a values are less than about 6.5%. The considered real data were from pH‐metric titration of fluorescein. The obtained spectral and concentration profiles and the estimated pK_a values for fluorescein were in good agreement with the previously reported data. Copyright © 2009 John Wiley & Sons, Ltd.     

Normal and mixed partial second-order subdifferentials in variational analysis and optimization

A partial second-order subdifferential is defined here for extended real valued functions of two variables corresponding to its variables through coderivatives of first-order partial subdifferential mappings. In addition, some rules are presented to calculate these second-order structures along with defining some conditions to insure the equality \(\partial ^2_{yx}\) and \(\partial ^2_{xy}\). Moreover, as an application, some conditions are stated which show the relation between local minimum of a function and positiveness of principal minors of its hessian matrix.     

Design of a Composite Membrane with Patches

This paper is concerned with minimization and maximization problems of eigenvalues. The principal eigenvalue of a differential operator is minimized or maximized over a set which is formed by intersecting a rearrangement class with an affine subspace of finite co-dimension. A solution represents an optimal design of a 2-dimensional composite membrane Ω, fixed at the boundary, built out of two different materials, where certain prescribed regions (patches) in Ω are occupied by both materials. We prove existence results, and present some features of optimal solutions. The special case of one patch is treated in detail.     

A clustering ensemble framework based on elite selection of weighted clusters

Each clustering algorithm usually optimizes a qualification metric during its progress. The qualification metric in conventional clustering algorithms considers all the features equally important; in other words each feature participates in the clustering process equivalently. It is obvious that some features have more information than others in a dataset. So it is highly likely that some features should have lower importance degrees during a clustering or a classification algorithm; due to their lower information or their higher variances and etc. So it is always a desire for all artificial intelligence communities to enforce the weighting mechanism in any task that identically uses a number of features to make a decision. But there is always a certain problem of how the features can be participated in the clustering process (in any algorithm, but especially in clustering algorithm) in a weighted manner. Recently, this problem is dealt with by locally adaptive clustering (LAC). However, like its traditional competitors the LAC suffers from inefficiency in data with imbalanced clusters. This paper solves the problem by proposing a weighted locally adaptive clustering (WLAC) algorithm that is based on the LAC algorithm. However, WLAC algorithm suffers from sensitivity to its two parameters that should be tuned manually. The performance of WLAC algorithm is affected by well-tuning of its parameters. Paper proposes two solutions. The first is based on a simple clustering ensemble framework to examine the sensitivity of the WLAC algorithm to its manual well-tuning. The second is based on cluster selection method.     

Rearrangements in Real Estate Investments

In this note we consider an investment problem in real estate. We show that it can be formulated in terms of a constrained optimization problem, and this leads to a linear rearrangement optimization problem. We address existence, uniqueness, and symmetry of the optimal solution.     

Effect of operational parameters on degradation of Malachite Green by ultrasonic irradiation

The aim of the present study was to apply ultrasonic technique to remove Malachite Oxalate Green (MG) from aqueous solution. An ultrasonic bath with frequency of 35 kHz was used to investigate the effect of different operational parameters such as MG concentration, power density, temperature, mechanical agitation and addition of EtOH, 2-PrOH and iso-BuOH. Decolorization of MG follows a first order kinetics and hydroxyl radicals have an important role in degradation of MG. The apparent reaction rate constant (k(ap)) was influenced by variation of operational parameters. The activation energy was 30.95 kJ/mol in temperature range of 21-34 degrees C, suggesting a diffusion-controlled reaction. Alcohols act as hydroxyl radicals scavengers having undesirable contribution. UV-vis spectral change of MG showed hypsochromic shift occurred with increasing sonication time, proposing N-demethylation process of MG.     

Voltammetric Determination of Bisphenol A in Water and Juice Using a Lanthanum (III)-Doped Cobalt (II,III) Nanocube Modified Carbon Screen-Printed Electrode

A La³⁺ doped Co₃O₄ nanocube modified graphite screen-printed electrode (La³⁺-doped Co₃O₄ nanocube/SPE) was prepared and utilized for the sensitive voltammetric determination of bisphenol A. In comparison with an unmodified electrode, the presence of the La³⁺ doped Co₃O₄ nanocubes caused a significant enhancement in the peak current. Differential pulse voltammetry (DPV), cyclic voltammetry (CV), and chronoamperometry approaches were utilized as diagnostic methods. The modified SPE was used to determine bisphenol A concentrations in the range from 0.5 to 900.0?μM with a limit of detection equal to 6.1?×?10^?8 M. Real samples were effectively analyzed with the modified electrode.     

Electronic and transport properties of monolayer graphene defected by one and two carbon ad-dimers

Using density functional theory combined with non-equilibrium Green’s function method, we have investigated the electronic and transport properties of graphenes defected by one and two carbon ad-dimers (CADs), placed parallel to the graphene lattice. Addition of these CADs to graphenes creates 3D paired pentagon–heptagon defects (3D-PPHDs). The band structure, density of states (DOS), quantum conductance, projected DOS, as well as the current–voltage characteristic per graphene super-cells containing each type of 3D-PPHD are calculated. The local strain introduced to graphene by 3D-PPHDs forces the C-bonds in the dimers to hybridize in sp ³-like rather than sp ²-like orbitals, creating localized states at the center of the corresponding defect below the Fermi energy. Simulations show that the zero-bias conductances per super-cells containing defects created by one and two CADs exhibit dip about ~0.579 and ~0.253 eV below their corresponding Fermi levels, respectively. These can be attributed to the localized states around the same energy levels. Simulations also show that the enhanced carriers scatterings within the graphenes defected by the 3D-PPHDs have increased their overall resistances, as compared with the pristine graphene. Moreover, the current–voltage characteristic calculated per super-cell for each case shows that the current for those containing one and two CADs, at an applied voltage of 0.5 V, is ~5 and 13 % less than the current calculated for the pristine super-cell of the same size.