A new decavanadate polyoxovanadate nanocluster: synthesis,characterization and rapid adsorption of methylene blue

A new decavanadate polyoxovanadate nanocluster, [2-ampH]₆[V₁₀O₂₈]?2H₂O (1), was synthesized through reaction between ammonium vanadate and 2-aminopyridine at pH = 2. Nanocluster 1 was characterized by IR, elemental analysis, and X-ray crystallography. 1 was found to adsorb and desorb dyes and may have widespread application in wastewater treatment. The utility of 1 for adsorption of methylene blue was studied. The adsorbed dyes can be easily desorbed, and 1 has full efficiency after five cycles.     

Improving Variational Iteration Method with Auxiliary Parameter for Nonlinear Time-Fractional Partial Differential Equations

In this research, we present a new approach based on variational iteration method for solving nonlinear time-fractional partial differential equations in large domains. The convergence of the method is shown with the aid of Banach fixed point theorem. The maximum error bound is specified. The optimal value of auxiliary parameter is obtained by use of residual error function. The fractional derivatives are taken in the Caputo sense. Numerical examples that involve the time-fractional Burgers equation, the time-fractional fifth-order Korteweg–de Vries equation and the time-fractional Fornberg–Whitham equation are examined to show the appropriate properties of the method. The results reveal that a new approach is very effective and convenient.     

Cross-aldol reaction of 3-acetyl-2H-chromen-2-one by using Amberlyst 26A as catalyst

Synthesis of a series of 3-acetylcoumarin-derived chalcones (1a–16a) was catalyzed with Amberlyst 26A in ethanol. Using reusable Amberlyst 26A and biobased solvent ethanol make this method highly ecofriendly and simple. Amberlyst 26A was found to be a highly effective catalyst for cross aldol reaction. The results shown that the method is operationally simple to implement with a wide scope of substrates.     

Novel mixed-ligand complexes of coumarilate/<Emphasis Type="Italic">N</Emphasis>,<Emphasis Type="Italic">N</Emphasis>′-diethylnicotinamide with some transition metals

Coordination complexes of transition metal cations (Co^II, Ni^II, Cu^II and Zn^II) containing coumarilate and N,N′-diethylnicotinamide were synthesized. The structural characterization and thermal behaviour analysis of novel samples synthesized were conducted through elemental analysis, magnetic susceptibility, solid-state UV–Vis, direct and injection probe mass spectra, FTIR spectra, thermoanalytic TG-DTG/DTA and single crystal X-ray diffraction methods. The structural details of single crystals of [Co(dena)₂(H₂O)₄](coum)₂ (I) and [Cu(coum)₂(dena)₂(H₂O)₂] (III) complexes were resolved completely. Moreover, the results of analysis obtained for [Ni(coum)₂(dena)₂(H₂O)₂] (II) and [Zn(dena)₂(H₂O)₄](coum)₂ (IV) complexes were interpreted considering the samples with crystal structures defined and made assumptions about the structural details. It was determined that the complex of Co^II metal cation has salt-type structure and the coordination number of metal is accomplished to six as the sum of 4 mol of water and also 2 mol of N,N′-diethylnicotinamide ligands in trans position located within the coordination sphere. It was observed that 2 mol of coumarilate anions are located outside the coordination sphere and have stabilized to the charge (2+) of metal. The Cu^II complex has totally molecular structure, and the coordination sphere of metal cation was 6 as the sum of 2 mol of water, 2 mol of N,N′-diethylnicotinamide and 2 mol of monoanionic monodentate coumarilate ligands. All ligands have been located in –trans position. The geometry of both complex structures is distorted octahedral. It is assumed that the Ni^II complex structure is isostructural with Cu^II complex structure and also does Zn^II complex with Co^II structure. It was determined that the decomposition products obtained from thermal analysis are the oxides of related metal cations.     

A Stackelberg game model for resource allocation in cargo container security

This paper presents a game theoretic model that analyzes resource allocation strategies against an adaptive adversary to secure cargo container transportation. The defender allocates security resources that could interdict an unauthorized weapon insertion inside a container. The attacker observes the defender’s security strategy and chooses a site to insert the weapon. The attacker’s goal is to maximize the probability that the weapon reaches its target. The basic model includes a single container route. The results in the basic model suggest that in equilibrium the defender should maintain an equal level of physical security at each site on the cargo container’s route. Furthermore, the equilibrium levels of resources to interdict the weapon overseas increase as a function of the attacker’s capability to detonate the weapon remotely at a domestic seaport. Investment in domestic seaport security is highly sensitive to the attacker’s remote detonation capability as well. The general model that includes multiple container routes suggests that there is a trade-off between the security of foreign seaports and the physical security of sites including container transfer facilities, container yards, warehouses and truck rest areas. The defender has the flexibility to shift resources between non-intrusive inspections at foreign seaports and physical security of other sites on the container route. The equilibrium is also sensitive to the cost effectiveness of security investments.     

Pattern discrete and mixed Hit-and-Run for global optimization

We develop new Markov chain Monte Carlo samplers for neighborhood generation in global optimization algorithms based on Hit-and-Run. The success of Hit-and-Run as a sampler on continuous domains motivated Discrete Hit-and-Run with random biwalk for discrete domains. However, the potential for efficiencies in the implementation, which requires a randomization at each move to create the biwalk, lead us to a different approach that uses fixed patterns in generating the biwalks. We define Sphere and Box Biwalks that are pattern-based and easily implemented for discrete and mixed continuous/discrete domains. The pattern-based Hit-and-Run Markov chains preserve the convergence properties of Hit-and-Run to a target distribution. They also converge to continuous Hit-and-Run as the mesh of the discretized variables becomes finer, approaching a continuum. Moreover, we provide bounds on the finite time performance for the discrete cases of Sphere and Box Biwalks. We embed our samplers in an Improving Hit-and-Run global optimization algorithm and test their performance on a number of global optimization test problems.     

Lensless imaging for simultaneous microfluidic sperm monitoring and sorting

5.3 million American couples of reproductive age (9%) are affected by infertility, among which male factors account for up to 50% of cases, which necessitates the identification of parameters defining sperm quality, including sperm count and motility. In vitro fertilization (IVF) with or without intra cytoplasmic sperm injection (ICSI) has become the most widely used assisted reproductive technology (ART) in modern clinical practice to overcome male infertility challenges. One of the obstacles of IVF and ICSI lies in identifying and isolating the most motile and presumably healthiest sperm from semen samples that have low sperm counts (oligozoospermia) and/or low sperm motility (oligospermaesthenia). Microfluidic systems have shown potential to sort sperm with flow systems. However, the small field of view (FOV) of conventional microscopes commonly used to image sperm motion presents challenges in tracking a large number of sperm cells simultaneously. To address this challenge, we have integrated a lensless charge-coupled device (CCD) with a microfluidic chip to enable wide FOV and automatic recording as the sperm move inside a microfluidic channel. The integrated system enables the sorting and tracking of a population of sperm that have been placed in a microfluidic channel. This channel can be monitored in both horizontal and vertical configuration similar to a swim-up column method used clinically. Sperm motilities can be quantified by tracing the shadow paths for individual sperm. Moreover, as the sperm are sorted by swimming from the inlet towards the outlet of a microfluidic channel, motile sperm that reach the outlet can be extracted from the channel at the end of the process. This technology can lead to methods to evaluate each sperm individually in terms of motility response in a wide field of view, which could prove especially useful, when working with oligozoospermic or oligospermaesthenic samples, in which the most motile sperm need to be isolated from a pool of small number of sperm.     

In situ IR monitoring of complexation reaction between 2,6-bis(3,5-dimethylpyrazoyl)pyridine and some metal ions

In situ complexation reactions between 2,6-bis(3,5-dimethylpyrazoyl)pyridine (bdmpp) and some transition metals (Cu²⁺, Co²⁺ and Ni²⁺) were studied with a new method in liquid cell using FT-IR. In this method, the FT-IR spectrum of the solution of ligand was defined as a background, and then the changes in the FT-IR spectra by the addition of the metal salts were investigated. This method allows one to obtain the spectra of the ligand-metal complex before yielding the solid-state product. Complexation ratios (M/L) of these metals with bdmpp were found 1/1, 1/2 and 1/2, for Cu, Co and Ni, respectively. Studying with Mg²⁺ and Ca²⁺ ions showed that there were no interaction between bdmpp and these metal ions in methanol.     

Synthesis,Spectral, Thermal and Structural Study of Monoaquabis(Acetylsalicylato-κO)bis(Nicotinamide-κN)Copper(II)

Abstract  

The compound has been formed by mononuclear [Cu(C₉H₇O₄)₂(C₆H₆N₂O)₂(H₂O)] units in which the metal ion as well as the water ligand lies on a twofold symmetry axis, so that only one acetylsalicylate ligand and one nicotinamide ligand are independent. The distortion from ideal five-coordinate geometries can be described best by the degree of trigonality τ. For a regular square-pyramidal (SQP) geometry the trigonality parameter is 0 and for a trigonal–bipyramidal (TBP) structure it increases to 1. The copper coordination geometry is that of a square pyramid (τ = 0.23), with the N atoms from nicotinamide ligands and the bonded carboxylate O atoms from acetylsalicylate ligands defining the quasi-planar square base. The apical site is occupied by the aqua ligand, a bond which coincides with the twofold symmetry axis and is thus exactly perpendicular to the basal plane. The thermal decomposition takes place in four steps: removing of moisture, dehydration of aqua ligand, the elimination of the nicotinamide (na) ligand and the decomposition of acetyl-groups and oxidation of salicylate ion ligands. In complex, all ligands are coordinated to the metal ion as monodendate. The IR spectra of the intermediate products showed similar results.     

The wave based method: An overview of 15 years of research

The Wave Based Method is a deterministic prediction technique to solve steady-state dynamic problems and is developed to overcome some of the frequency limitations imposed by element-based prediction techniques. The method belongs to the family of indirect Trefftz approaches and uses a weighted sum of so-called wave functions, which are exact solutions of the governing partial differential equations, to approximate the dynamic field variables. By minimising the errors on boundary and interface conditions, a system of equations is obtained which can be solved for the unknown contribution factors of each wave function. As a result, the system of equations is smaller and a higher convergence rate and lower computational loads are obtained as compared to conventional prediction techniques. On the other hand, the method shows its full efficiency for rather moderately complex geometries. As a result, various enhancements have been made to the method through the years, in order to extend the applicability of the Wave Based Method. This paper gives an overview of the current state of the art of the Wave Based Method, elaborating on the modelling procedure, a comparison of the properties of the Wave Based Method and element-based prediction techniques, application areas, extensions to the method such as hybrid and multi-level approaches and the most recent developments.