Magnetoelectronic properties of ferromagnetic compounds Rb2TaZ6 (Z = Cl,Br) for possible spintronic applications

Highly spin-polarized ferromagnetic materials are essential for efficient spintronic devices. Here, 100% spin-polarized compounds Rb₂TaZ₆ (Z = Cl, Br) studied via density functional theory are reported. These compounds show stability in the ferromagnetic phase with cubic symmetry and half metallic behavior, thereby exhibiting a nonzero direct band gap in the spin-down channel and zero band gap in the spin-up configuration. The Ta-d sates contribute mainly to the net magnetic moments as explained by the crystal field theory and density of states. High Curie temperatures of 960.35 and 1021.74 K for Ra₂TaCl₆ and Rb₂TaBr₆, along with maximum spin polarizability, make these compounds favorable for efficient spintronic applications.     

A stochastic portfolio optimization model with complete memory

In this article, we consider a portfolio optimization problem of the Merton’s type with complete memory over a finite time horizon. The problem is formulated as a stochastic control problem on a finite time horizon and the state evolves according to a process governed by a stochastic process with memory. The goal is to choose investment and consumption controls such that the total expected discounted utility is maximized. Under certain conditions, we derive the explicit solutions for the associated Hamilton–Jacobi–Bellman (HJB) equations in a finite-dimensional space for exponential, logarithmic, and power utility functions. For those utility functions, verification results are established to ensure that the solutions are equal to the value functions, and the optimal controls are also derived.     

Mixed Integer Programming to Schedule a Single-Shift Workforce under Annualized Hours

Nowadays flexibility is a strategic concept for firms. Indeed workload has to follow, as close as possible, the development of demand throughout the year. However, firms cannot engage and dismiss employees according to production requirements. Thus, workforce scheduling becomes a delicate task. In this paper, four mixed integer programming models are developed to solve the workforce schedule problem for a single-shift. The annualized hour scenario is considered with respect to a set of Swiss legal constrains. Furthermore, the minimal required workforce is guaranteed and it is assumed that each employee is able to perform each task within the team. All employees are full-time workers.     

The Development of a Green Innovative Bioactive Film for Industrial Application as a New Emerging Technology to Protect the Quality of Fruits

Today, the most significant challenge encountered by food manufacturers is degradation in the food quality during storage, which is countered by expensive packing, which causes enormous monetary and environmental costs. Edible packaging is a potential alternative for protecting food quality and improving shelf life by delaying microbial growth and providing moisture and gas barrier properties. For the first time, the current article reports the preparation of the new films from Ditriterpenoids and Secomeliacins isolated from Melia azedarach (Dharek) Azadirachta indica plants to protect the quality of fruits. After evaluating these films, their mechanical, specific respirational, coating crystal elongation, elastic, water vapor transmission rate (WVTR), film thickness, and nanoindentation test properties are applied to apple fruit for several storage periods: 0, 3, 6, 9 days. The fruits were evaluated for postharvest quality by screening several essential phytochemical, physiological responses under film coating and storage conditions. It was observed that prepared films were highly active during storage periods. Coated fruits showed improved quality due to the protection of the film, which lowered the transmission rate and enhanced the diffusion rate, followed by an increase in the shelf life. The coating crystals were higher in Film-5 and lower activity in untreated films. It was observed that the application of films through dipping was a simple technique at a laboratory scale, whereas extrusion and spraying were preferred on a commercial scale. The phytochemicals screening of treated fruits during the storage period showed that a maximum of eight important bioactive compounds were present in fruits after the treatment of films. It was resolved that new active films (1–5) were helpful in the effective maintenance of fruit quality and all essential compounds during storage periods. It was concluded that these films could be helpful for fruits growers and the processing industry to maintain fruit quality during the storage period as a new emerging technology.     

Thionine sensitized areobic photooxidation of thiourea in acidic medium

An investigation of the thionine sensitized aerobic photooxidation of thiourea was observed spectrophotometrically at a wavelength of 598 nm. Articles reported two types of reactions which generally occur in the presence of oxygen: 1) Singlet oxygen, produced by dye sensitization due to the hydrolysis that reacts with thiourea to form oxidative products like urea and other sulfur-containing fragments and 2) bleaching of dye, which leads to the reduction. The rate of reaction in all studied parameters followed first order kinetics with respect to maximum absorption of the dye in the visible band region. Reaction kinetics was significantly dependent upon the medium and the reaction accelerated more rapidly at low pH. A direct relation was exhibited between the thiourea concentration and dye sensitizer, which was not pragmatic with the concentration of dye. The reaction was effected by the temperature, and the values of energy parameters suggested that the energy of activation was low while the entropy of activation increases with the rise in temperature, which indicated a highly solvated state of intermediate complex. Lower value of ΔH* and ΔG* at elevated temperature showed that free energy is the driving force for the completion of reaction. A mechanism based on the above findings has been suggested.     

Reduction of Methylene Green by EDTA:Kinetic and Thermodynamic Aspects

The reduction of methylene green (MG) into protonated leuco dye with ethylenediamine tetraacetic acid (EDTA) in aqueous alkaline medium was studied spectrophotometrically at λ_max 660 nm. EDTA behaved as an effective electron donor during the reduction of MG in an aerobic condition. Consumption of EDTA in the reduction of MG means that it is oxidized. This is an unexpected result since EDTA does not normally function as a reducing agent. The nitrogen-containing chelating agents with secondary or tertiary nitrogen behaved as an electron donor in photochemical reaction of dye. The rate of reduction depends upon pH in the same way as the base titration of EDTA. Effects of salt and temperature have been investigated for the reduction process. The salting agent KNO₃ has been found to uniquely enhance the rate of reduction of MG by EDTA in the aerobic condition. Detailed kinetic and thermodynamic aspects have been discussed to realize the interaction between MG and EDTA. Kinetic studies revealed that reaction was sensitive and regeneration of oxidized form of the dye was observed. Reversible first order reaction kinetics with respect to EDTA, MG and NaOH was found.     

A Facile One‐Pot Synthesis and Anticancer Evaluation of Novel Substituted 1,2‐Dihydropyridine and 1,2,3,4‐Tetrahydropyrimidine Analogues

Current paper involves the one‐pot synthesis of various 1,2‐dihydropyridine and 1,2,3,4‐tetrahydropyrimidine analogues. The antitumor activity of the synthesized compounds has been carried out against various human cancer cell lines, and some of the analogues are found to be potent.     

A new megastigmane glycoside, phoenixoside A, from Phoenix dactylifera

A new megastigmane glycoside, phoenixoside A (1), has been isolated from the n-butanol--soluble fraction of seeds of Phoenix dactylifera. The structure was characterized as (6S,7Z,9R)-hydroxy-3-oxo-ionol-9-O-beta-D-glucopyranosyl-(1" --> 6')-beta-D-glucopyranoside on the basis of 1D and 2D NMR spectroscopy, high-resolution mass spectrometry, and CD spectroscopy.     

Engineering of Cysteine Residues Leads to Improved Production of a Human Dipeptidase Enzyme in <Emphasis Type="Italic">E. coli</Emphasis>

Low yields, poor folding efficiencies and improper disulfide bridge formation limit large-scale production of cysteine-rich proteins in Escherichia coli. Human renal dipeptidase (MDP), the only human β-lactamase known to date, is a homodimeric enzyme, which contains six cysteine residues per monomer. It hydrolyses penem and carbapenem β-lactam antibiotics and can cleave dipeptides containing amino acids in both d- and l-configurations. In this study, MDP accumulated in inactive form in high molecular weight, disulfide-linked aggregates when produced in the E. coli periplasm. Mutagenesis of Cys361 that mediates dimer formation and Cys93 that is unpaired in the native MDP led to production of soluble recombinant enzyme, with no change in activity compared with the wild-type enzyme. The removal of unpaired or structurally inessential cysteine residues in this manner may allow functional production of many multiply disulfide-linked recombinant proteins in E. coli.     

Reduction Kinetics of Thionine in Aerobic Condition with D-Galactose

Reduction kinetics of thionine (Th) with D-galactose (RH) was observed on a UV/Visible 1601 Shimadzu spectrophotometer at λmax 599 nm. The results showed that the initially slow reduction kinetics got enhanced and proceeded to completion within a few minutes. A pseudo first order kinetics was observed when influence of different parameters like concentration of dye and reductant, ionic strength and temperature was investigated. A significant shift in wave length from 599 to 517 nm was observed at alkaline pH whereas addition of a small amount of acid caused a shift in equilibrium. This resulted in the generation of oxidized form of thionine which was pragmatic in the presence of atmospheric oxygen. Change in ionic strength at elevated temperature lied to decrease in the rate constant. Thermodynamics activation parameters like Ea reflects a high amount of energy required for reduction of Th with RH whereas entropy of activation (∆S!) and free energy of activation (∆G!) show the highly solvated states of transient complex which was less disorderly arranged than the oxidized form of dye. A mechanism consistent with above findings has been discussed in the relevant section of paper.