Fabrication and characterization of electrochemical double layer capacitors using ionic liquid-based gel polymer electrolyte with chemically treated activated charcoal electrodes

The present investigation deals with electrochemical double layer capacitors (EDLCs) made up of ionic liquid (IL)-based gel polymer electrolytes with chemically treated activated charcoal electrodes. The gel polymer electrolyte comprising of poly(vinylidine fluoride-co-hexafluropropylene) (PVdF-HFP)–1-ethyl-2,3-dimethyl-imidazolium-tetrafluroborate [EDiMIM][BF₄]–propylene carbonate (PC)–magnesium perchlorate (Mg(ClO₄)₂) exhibits the highest ionic conductivity of ~8.4?×?10^?3?S?cm^?1 at room temperature (~20 °C), showing good mechanical and dimensional stability, suitable for their application in EDLCs. Activation of charcoal was done by impregnation method using potassium hydroxide (KOH) as activating agent. Brunauer–Emmett–Teller (BET) studies reveal that the effective surface area of treated activated charcoal powder (1,515 m²?g^?1) increases by more than double-fold compared to the untreated one (721 m²?g^?1). Performance of EDLCs has been tested using cyclic voltammetry, impedance spectroscopy, and charge–discharge techniques. Analysis shows that chemically treated activated charcoal electrodes have almost triple times more capacitance values as compared to the untreated one.     

Adsorption and Equilibrium Isotherm Study of Removal of Copper (II) Ions from Aqueous Solution by Chemically Modified Abelmoschus esculentus Fibers

The present study explores surface modification of Abelmoschus esculentus by graft copolymerization reaction using acrylonitrile as a monomer and ascorbic acid/H₂O₂ as a redox initiator. Further, polyacrylonitrile grafted fibers were treated with hydroxylamine to convert the nitrile group of the grafted fiber into the amidoxime group to enhance adsorption of copper ions from wastewater. The graft copolymers and amidoximated fibers were characterized by FT-IR and FE-SEM. The effects of physicochemical parameters such as pH of the solution, initial metal ion concentration, and time on Cu(II) adsorption were studied to optimize condition for maximum adsorption. In addition, Langmuir, Freundlich, and Tempkin models were applied to describe the adsorption isotherm of Cu²⁺ ions.     

Applications of Dithioacetals in Ester Synthesis

The α-oxoketene dithioacetals are simple synthetic intermediates widely utilized and implicated for the synthesis of a variety of heterocyclic compounds other than alicyclic and aromatic compounds. They act as 1,3-electrophilic three-carbon synthons. The α-oxoketene dithioacetal of pyrazolone derivatives can be efficiently converted through a base-catalyzed alcoholysis into the corresponding ester in a single one-step reaction with good yield of pure products. In this article, we summarize recent direct conversion of α-oxoketene dithioacetals to highly desirable esters. The overall process is an example of intramolecular rearrangement of bonds. Characterization and identification of all synthesized compounds were assigned through ¹H NMR and mass spectroscopy.     

Modeling the role of government efforts in controlling extremism in a society

People having extreme idealogies affect the process in a region using fear of terror acts, money power, and the word of mouth communication network to change individuals to their way of thinking. This forces government to divert its limited financial resources for controlling extremism and thus affecting development. In this paper, therefore, a nonlinear mathematical model is proposed to study the dynamics of extremism governed by four dependent variables, namely, number of people in the general population having no extreme ideology, number of extreme ideologists, number of isolated ideologists (prisoners), and the cumulative density of government efforts and their interactions. The model is analyzed using the stability theory of differential equations and computer simulation. The analysis shows that if appropriate level of government efforts is applied on extremists, the spread of their ideology can be controlled in the general population. A numerical study of the model is also carried out to investigate the effects of certain parameters on the spread of extremism confirming the analytical results.Copyright © 2014 John Wiley & Sons, Ltd.     

Comprehensive quantum chemical calculations and molecular docking analysis of uracil mustard by first principle

Uracil mustard belongs to the nitrogen mustard family and is primarily used in anticancer drugs. The research that follows, investigates many quantum chemical features such as the computation of global minimum energies with no negative wavenumber values using the Density Functional Theory (DFT) with Becke three functional and 6-311G (d, p)/6–311++G (d, p) basis sets. All the vibrational modes have been calibrated and justified in comparison to their experimental counterparts. Mustard's polarizability and hyperpolarizability components, Natural Bond Analysis (NBO), electronic properties, Fukui function analysis, various global parameters, Quantum Theory of Atoms In Molecule (QTAIM) analysis, ADMET analysis, and docking analysis have all been investigated using the same theory and basis sets, indicating its biochemical significance. The biological activity of the molecule is reported by using PASS software. The Full fitness score and binding affinity parameters are utilized to determine the binding strength with 6cq3 protein. The acidity of the title molecule is calculated in water solvent by polarizable continuum model (PCM) solvent effects (estimated in water). The HOMO, LUMO, and MESP plots are used to explore the nature of binding and surfaces. The Fukui functions are computed using Mulliken atomic charges for neutral atoms, cations, and anions. The Ultraviolet–visible (UV–vis) of the molecule is computed employing the TD-DFT method.     

Design and synthesis of novel 1,3,4-oxadiazole based azaspirocycles catalyzed by NaI under mild condition and evaluated their antidiabetic and antibacterial activities

A modest, efficient, and mild synthetic procedure has been developed for the synthesis of novel series of 1,3,4-oxadiazole containing azaspirocycles derivatives. The reaction of 1,3,4-oxadiazole derivative with diverse azaspiro compounds under room temperature condition with helps of sodium iodide catalyst and polar aprotic solvent. Numerous compensations of this strategy embrace less time required, yield increment, consumption of all reactants, and mild condition. All synthesized compounds evaluated for in vitro antidiabetic and antibacterial screening. Among them some compounds show significant biological response.     

Greener approach toward synthesis of biologically active s-Triazine (TCT) derivatives: A recent update

The greener methodology to synthesize s-triazine derivatives (also known as TCT) is described, including synthesis through microwave, ultrasound, and solvent-free conditions. This review mainly focuses on reactions of TCT (2,4,6-trichloro-1,3,5-triazine) with various substituents having amine and hydroxy functionalities to give corresponding triazine derivatives under a greener approach. The results of reactions indicate that, unlike classical methods, green methods result in better yields of the product, through a rapid reaction, under mild reaction conditions, and by easy workup procedures.     

Microwave-Assisted Graft Copolymerization of Cellulosic Fibers for Removal of Heavy Metal Ions from Aqueous Solution

Functional materials obtained from cellulosic biofibers have gained attention due to the growing demand for them in the field of wastewater remediation. In view of the technological significance of functionalized cellulosic biofibers in wastewater treatment, the present study is a green approach to functionalized cellulosic fibers through graft copolymerization under microwave irradiation. The grafted cellulosic polymers were subsequently subjected to heavy metal ion adsorption studies in order to assess their application in wastewater remediation. The effects of pH, contact time, temperature, and metal ion concentration were studied in batchwise adsorption experiments. The Langmuir, Freundlich, and Tempkin models were used to show the adsorption isotherms. The maximum monolayer capacities, q _m. calculated using the Langmuir isotherm for Zn²⁺, Cd²⁺, and Pb²⁺ were found to be 37.79, 69.68, and 96.81 mg/g respectively. The thermodynamic parameter ΔH° and ΔG° values for metal ion adsorption on functionalized cellulosic fibers showed that adsorption process was spontaneous as well as exothermic in nature.     

Molecular Insights into the Antistress Potentials of Brazilian Green Propolis Extract and Its Constituent Artepillin C

Propolis, also known as bee-glue, is a resinous substance produced by honeybees from materials collected from plants they visit. It contains mixtures of wax and bee enzymes and is used by bees as a building material in their hives and by humans for different purposes in traditional healthcare practices. Although the composition of propolis has been shown to depend on its geographic location, climatic zone, and local flora; two largely studied types of propolis: (i) New Zealand and (ii) Brazilian green propolis have been shown to possess Caffeic Acid Phenethyl Ester (CAPE) and Artepillin C (ARC) as the main bioactive constituents, respectively. We have earlier reported that CAPE and ARC possess anticancer activities, mediated by abrogation of mortalin-p53 complex and reactivation of p53 tumor suppressor function. Like CAPE, Artepillin C (ARC) and the supercritical extract of green propolis (GPSE) showed potent anticancer activity. In this study, we recruited low doses of GPSE and ARC (that did not affect either cancer cell proliferation or migration) to investigate their antistress potential using in vitro cell based assays. We report that both GPSE and ARC have the capability to disaggregate metal- and heat-induced aggregated proteins. Metal-induced aggregation of GFP was reduced by fourfold in GPSE- as well as ARC-treated cells. Similarly, whereas heat-induced misfolding of luciferase protein showed 80% loss of activity, the cells treated with either GPSE or ARC showed 60–80% recovery. Furthermore, we demonstrate their pro-hypoxia (marked by the upregulation of HIF-1α) and neuro-differentiation (marked by differentiation morphology and upregulation of expression of GFAP, β-tubulin III, and MAP2). Both GPSE and ARC also offered significant protection against oxidative stress and, hence, may be useful in the treatment of old age-related brain pathologies.