Solving nonlocal initial‐boundary value problems for parabolic and hyperbolic integro‐differential equations in reproducing kernel hilbert space

This article is concerned with a method for solving nonlocal initial‐boundary value problems for parabolic and hyperbolic integro‐differential equations in reproducing kernel Hilbert space. Convergence of the proposed method is studied under some hypotheses which provide the theoretical basis of the proposed method and some error estimates for the numerical approximation in reproducing kernel Hilbert space are presented. Finally, two numerical examples are considered to illustrate the computation efficiency and accuracy of the proposed method. © 2016 The Authors Numerical Methods for Partial Differential Equations Published by Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 174–198, 2017     

Further investigations on the influence of scale-up of a high shear granulator on the granule properties

This study focuses on the characterisation of strength, density, and size of granules produced in various scales of a high shear granulator. Calcium carbonate （Durca165） was used as the feed powder and aqueous polyethylene glycol （PEG 4000） as the binder. The dried granules were analysed for their strength, density, size distribution, and wall make-up. Granules were produced in granulators with four scales, 1, 5, 50, and 250 L under three scale-up rules of constant tip speed, constant shear stress, and constant Froude number. The results show that regardless of equipment scale, increasing the impeller speed has a great effect on crushing strength and stress. The underlying cause is an increase in granule density due to more consolidation at higher impeller speeds. Wall make-up is significantly reduced to less than 5% as the scale is increased from 1 to 250 L. The results of this study corroborate our previous findings that the constant tip speed rule is the best criterion for scale-up of high shear granulators.     

A Gentzen-style axiomatization for basic predicate calculus

 We introduce a Gentzen-style sequent calculus axiomatization for Basic Predicate Calculus. Our new axiomatization is an improvement of the previous axiomatizations, in the sense that it has the subformula property. In this system the cut rule is eliminated. Received: 18 April 2000 / Published online: 2 September 2002 Mathematics Subject Classification (2000): Primary 03F05; Secondary 03F99, 03B60 Key words or phrases: Basic predicate calculus – Cut elimination – Sequent     

8-Hydroxyquinoline Functionalized Graphene Oxide: an Efficient Fluorescent Nanosensor for Zn<Superscript>2+</Superscript> in Aqueous Media

A nanosensor, based on 8-hydroxyquinoline functionalized graphene oxide, was developed for the fluorescence detection of Zn²⁺. It showed high selectivity and sensitivity for Zn²⁺ion in aqueous solution over other metal ions such as Li⁺, Na⁺, Ca²⁺, Mg²⁺, Al³⁺, Cd²⁺, Co²⁺, Cu²⁺, Hg²⁺, Ni²⁺, Pb²⁺, Fe²⁺, Fe³⁺and Cr³⁺. Due to the linearity of the emission intensity toward Zn²⁺ concentration, fluorescent technique could be used for the detection of Zn²⁺ ion even at very low concentrations.     

Application of artificial neural network to simultaneous potentiometric determination of silver(I), mercury(II) and copper(II) ions by an unmodified carbon paste electrode

The response characteristics and selectivity coefficients of an unmodified carbon paste electrode (CPEs) towards Ag⁺, Cu²⁺ and Hg²⁺ were evaluated. The electrode was used as an indicator electrode for the simultaneous determination of the three metal ions in their mixtures via potentiometric titration with a standard thiocyanate solution. A three-layered feed-forward artificial neural network (ANN) trained by back-propagation learning algorithm was used to model the complex non-linear relationship between the concentration of silver, copper and mercury in their different mixtures and the potential of solution at different volumes of the added titrant. The network architecture and parameters were optimized to give low prediction errors. The optimized networks were able to precisely predict the concentrations of the three cations in synthetic mixtures.     

Imprinted polymer particles for selenium uptake: synthesis, characterization and analytical applications

This work reports the preparation of molecularly imprinted polymer (MIP) particles for selective extraction and determination of selenium ions from aqueous media. Polymerization was achieved in a glass tube containing SeO₂, o-phenylenediamine, 2-vinylpyridine (VP), ethyleneglycoldimethacrylate (EDMA), 2,2′-azobisisobutyronitrile (AIBN). The polymer block obtained was ground and sieved (55-75 μm) and the Se-o-phenylenediamine complex was removed from polymer particles by leaching with 2 M of HCl, which leaves a cavity in the polymer particles. The polymer particles both prior to and after leaching have been characterized by IR and thermogravimetric (TG) studies. The effect of different parameters, such as pH, extraction time, type and least amount of eluent for elution of complex from polymer were evaluated. Extraction efficiencies >99% were obtained by elution of the polymers with 15 mL of methanol-acetonitrile mixture (1:2, v/v). The limit of detection of the proposed method followed by hydride generation atomic absorption spectroscopy (HG-AAS) was found to be 3.3 μg L⁻¹ and a dynamic linear range (DLR) of 10-200 μg L⁻¹ was obtained. The relative standard deviations (R.S.D.s) at 30.0 μg L⁻¹ of Se were below than 8.1%. The influence of various cationic interferences on percent recovery of complex was studied. The method was applied to the recovery and determination of selenium in different real samples.     

A new multi objective optimization approach in distribution systems

This paper presents a multi objective optimal location of AVRs in distribution systems at the presence of distributed generators based on modified teaching-learning-based optimization (MTLBO) algorithm. In the proposed MTLBO algorithm, teacher and learner phases are modified. The proposed objective functions are energy generation costs, electrical energy losses and the voltage deviations. The proposed algorithm utilizes several teachers and considers the teachers as an external repository to save found Pareto optimal solutions during the search process. Since the objective functions are not the same, a fuzzy clustering method is used to control the size of the repository. The proposed technique allows the decision maker to select one of the Pareto optimal solutions (by trade-off) for different applications. The performance of the suggested algorithm on a 70-bus distribution network in comparison with other evolutionary methods such as GA, PSO and TLBO, is extraordinary.     

Analytical Solution of a Wave Equation in Cosmology

In this paper we derive a wave equation based on a cosmological model of the universe expansion in the four-dimensional space-velocity. An analytical solution of this equation is obtained using Nikiforov-Uvarov mathematical method. In this procedure we use the solutions of the Einstein gravitational field equations for the perfect fluid energy-momentum tensor.     

Assessing the performance of density functional theory for the dynamic polarizabilities of amino acids: Treatment of correlation and role of exact exchange

The theoretical determination of electric response properties of the biological systems is a field where the application of density functional theory (DFT) appears to be quite promising. In this work, the performance of 41 density functional methods is evaluated in predicting dynamic polarizabilities of an experimental benchmark set of 20 proteinogenic amino acids. The behavior of a large number of density functionals, including various types of the local spin density approximation (LSDA), generalized gradient approximation (GGA), meta‐GGA (m‐GGA), hybrid‐GGA (h‐GGA), hybrid meta‐GGA (hm‐GGA), and range‐separated hybrid‐GGA (rsh‐GGA), has been assessed for the purpose. Analyzing the results of our DFT benchmarking, we found that these computationally economical methods show very diverse predictive capability and a careful selection of DFT functionals is very important in the polarizability calculations. Considering the role of exchange, correlation, dispersion and long‐range corrections, it turned out that in the LSDA class, SVWN3 gives better results than SPL and SVWN5 toward the reference values. Of the GGA methods, OPBE outperforms all other functionals. The M06‐L is the best method of m‐GGA class. The B3LYP and TPSSh are the best functionals of h‐GGA and hm‐GGA lineages, respectively. Finally, CAM‐B3LYP is the best method of rsh‐GGA functionals that predicts the most accurate polarizability for amino acids by a large margin with respect to others. Overall, the best performing functionals turn out to be hm‐GGAs TPSSh, TPSS1KCIS, M05, tau‐HCTHhyb, and h‐GGA B3LYP. Hopefully, the results of this investigation might provide the useful guidance to propose a new exchange‐correlation functional for calculating the optical properties of biomolecular materials. © 2013 Wiley Periodicals, Inc.     

The first use of a Rh(III) complex as a novel ionophore for thiocyanate-selective polymeric membrane electrodes

The feasibility of a newly synthesized Rh(III) complex, Rh[(trpy)(bpy)Cl](PF₆)₂, as a novel ionophore for the preparation of anion-selective polymeric membrane electrodes was tested. The ionophore exhibited anti-Hofmeister behavior with enhanced potentiometric selectivity toward thiocyanate ion compared to other anions. The influence of some experimental parameters such as membrane composition, nature and amount of plasticizer and additive and concentration of internal solution on the potential response of the SCN⁻ sensor were investigated. The electrode exhibits a Nernstian response for SCN⁻ over a wide concentration range (1.0 × 10⁻⁵ to 1.0 × 10⁻¹ M) with a slope −58.7 ± 0.5 mV per decade and a detection limit of 4.0 × 10⁻⁶ M (0.23 ppm). It could be used in a pH range of 3.0-8.0 and has a fast response time of about 15 s. The proposed sensor was used for the determination of thiocyanate ions in real samples such as urine and saliva of smokers and nonsmokers and, as an indicator electrode, in potentiometric titrations of SCN⁻ ion.