Table of Contents - Volume 18 Number 2

A short review on a thermodynamically consistent multiphase phase-field approach for virtual melting has been presented. The important outcomes of solid-solid phase transformations via intermediate melt have been discussed for HMX crystal. It is found out that two nanoscale material parameters and solid-melt barrier term in the phase-field model significantly affect the mechanism of PTs, induces nontrivial scale effects, and changes PTs behaviors at the nanoscale during virtual melting.

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Fossil fuels are the most substantial & extensively used sources of energy for today’s world. Simultaneously, the unconscious exposure of toxic pollutants and green-house gases allied with fossil energy is not viable with contexture. Solar energy were treated as an auspicious source of energy from ancient age because of its richness & cleanness. But problem arises in its capture, storage, transformation, and distribution. That’s why scholars are trying to convert this renewable light energy to a user friendly and viable form of energy. By analyzing recent studies on H₂ fuel it is considered as most lucrative choice for clean and sustainable fuel with high calorific value & zero pollution. This review offers an overview of most recent advancement in development of photo-catalyst for solar water splitting which is treated as a promising Green-Harvesting technique among all H₂ generation techniques. Here we discussed about various catalyst development techniques especially about doping techniques, reactor design and light scattering/trapping systems.We found that among all doping is a promising technique and a lots of study have been done on this technique than others like as Hetero junction, Dye sensitization, modification of surface or nanostructure formation. Hence we concluded with the decision that, more research are needed on hetero junction and nanostructure formation along with elemental doping.

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Bacterial resistance to a wide spectrum of antimicrobial medicines has evolved as a major public health concern. Antibiotics are medications that are used to kill microorganisms that could cause serious illness or death. Nanotechnology has exploded as a significant and appealing field of research, with innovative features and functionalities in a variety of fields. Silver is a versatile antibacterial and anticancer medicinal agent in the form of nanoparticles. Silver Nanoparticles (AgNPs) have been implicated in a wide variety of medicinal benefits. This review article addresses antibacterial applications of biosynthesized AgNPsthat have been researched over the last decade. AgNPs' antimicrobial potential against a variety of bacterial agents is discussed.

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In recent years, solid form screening has become an integral and mandatory part of drug development. Solid form screening typically involves producing and characterizingmaximum possible solid forms of a potential drug candidate. Different types of solid forms for future drug product development includes salt screening, co-crystal screening, crystallization process development, polymorph screening as well as amorphous solid dispersion screening.Screening studies of a solid form is a set of carefully designed experiments that requires use of advanced analytical techniques to collect analytical data followed by a thoughtful data analysis.This solid form screening studies guide an important decision-making of lead solid form whichis likely to play a vital role during the pharmaceutical product development lifecycle. The selection criteria include pharmaceutically relevant properties, such as therapeutic efficacy and processing characteristics as well as role of physicochemical properties (i.e. solubility, dissolution rate, hygroscopicity, physical stability and chemical purity) in drug product development. A selected solid form, if thermodynamically unstable, it may undergo solid form changes upon exposure to environmental conditions such as temperature and relative humidity as well as manufacturing stress during the pharmaceutical unit operations. In thepresent work, fundamentals of solid form screening are discussed, including the experimental screening methodologies as well as characterization and analysis of solid forms. The importance of drug product risk assessment pertaining to the desired solid form are also discussed here.

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A binary liquid mixture that consists of ethyl acetate and 1-ethanol has been prepared at various concentrations by the mole fraction method. The ultrasonic velocity and density have been determined at 303K, 308K and 313K. From the experimental data, the excess isentropic compressibility, excess molar volumes, excess internal pressures, and excess molar enthalpy have been computed. The variations were observed as polynomial and fitted to the Redlich-Kister polynomial functions. By using this function, adjustable parameters and the standard deviations have been calculated. The experimental and theoretical data reveal that the existence of the intermolecular interactions between the selected liquid system. The partial molar compressibility’s and partial molar volume also calculated at infinite dilution of the system. In general, the intermolecular forces have tended to the variations in the magnitude and sign of the excess parameters. The excess molar volume (Vme), excess isentropic compressibility (), excess internal pressure ( ) and the enthalpy ( ) show the negative magnitude at the entire range of concentrations and temperatures. The significant variations of these parameters with the mole fraction of ethyl acetate have been analysed. Furthermore, the strength of the intermolecular interactions decreased with increasing the experimental temperatures as 303K > 308K >313K.

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The ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate (ACNPPC) was synthesized using an environmentally friendly method and looked into in terms ofstructural, UV-visible, vibrational, and computational analysis. In the gaseous phase, calculations of the density functional theory (DFT) with B3LYP/6-311G(d,p) level were performed. Using Time-dependent density functional theory (TD-DFT) with the B3LYP/6-311G(d,p) basis set method, the HOMO and LUMO energies are calculated. For assessing electrophilic and nucleophilic reactive sites, the molecular electrostatic surface potential (MESP) and contour plot were plotted over the optimized structure. Using computed and experimental vibrational spectra, vibrational assignments were elucidated. To illustrate the charge density in the title compound, Mulliken atomic charges are disclosed. In addition, using vibrational analysis, some thermochemical functions have also been derived. Theoretical simulations have shown the best relationship with experimental results obtained with the B3LYP/6-311G(d,p) level of theory at the DFT and TD-DFT methods.

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In the present investigation the material Co3O4 nanoparticles were prepared by co-precipitation method, while graphitic carbon nitride (g-C3N4) was prepared by direct heating of melamine. The nanocompositeg-C3N4- Co3O4were prepared by stoichiometric mixing and direct heating in porcelain boat followed by calcination. The prepared nanomaterials were characterized by various techniques. These both materials were characterized by XRD to get structural parameters and to confirm the average particle size of prepared nanomaterial. The scanning electron microscopy(SEM) was carried out to get surface characteristics of prepared materials. The energy dispersive spectroscopy was conducted to get elemental composition prepared material Co3O4and g-C3N4- Co3O4 .The transmission electron microscopy (TEM) was conducted to get lattice information of prepared material. While magnetic properties of both the material were investigated by means of vibrating sample magnetometer (VSM), since cobalt oxide is a ferromagnetic material. The surface area was confirmed from Brunauer-Emmett-Teller (BET) study. The g-C3N4- Co3O4nanocomposite has found enhanced surface areaof 78.48 m2/g in comparison to the sole Co3O4nanomaterial (55.23 m2/g). Both these prepared materials were utilized in photocatlytic degradation of CarbolFuchsin (CF) dye. The various parameters related to optimization of photocatlytic degradation of dyes were investigated in detail. The carbon nitride mediated cobalt oxide material is found to be very effective for degradation of CF dye and almost 97% of dye was successfully decomposed by the g-C3N4- Co3O4nanocomposite. The reusability test confirms that the prepared g-C3N4- Co3O4nanocomposite is very efficient in degradation of CF dye in multiple cycles with 110 minutes of contact time.

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A novel symmetric supercapacitor electrode material, rGO-SnO2-polyaniline nanocomposite,was synthesized using graphite oxide, SnCl2.2H2O, and pure Aniline as precursors in a scalable and straightforward one-pot process. Analysis revealed that the rGO-SnO2-polyaniline composite had been successfully synthesized. When the two-electrode supercapacitor was assembled using 1M H2SO4, it showed an outstanding specific gravimetric capacitance of 524.2 F/g at a 5 mV/s scan rate. To the best of our knowledge, such a higher value for a two-electrode specific capacitance for a supercapacitor was never reported.Furthermore, even at a high current density of 1 A/g, the material disclosed an outstanding charge-discharge characteristic. Thus, the rGO-SnO2-polyaniline nanocomposite couldalso be used as an electrode for commercial supercapacitors.

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Hydrogen fuel cell technology is now being researched extensively globally to provide a stable renewable energy source in the future. New research is aiding in improving performance, endurance, cost-efficiency, and the elimination of fuel cell limitations. Throughout the development process, the many aspects impacting the features, efficiency, durability, and cost of a fuel cell must be examined in a specific method. This review study looked at the impact of several variables on hydrogen fuel cell durability (HFC). In every sphere of fuel cell application, long-term operation is a must to make this electrochemical cell work. The major durability-enhancing aspects of a fuel cell include temperature, catalytic decay, contaminants, thermal energy and water maintenance, and fuel cell component design.

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Using the synthetic potential of recyclable zinc oxide(ZnO) nanoparticles (NPs),  a proficient, elegant, and rapid one-pot synthesis of a variety of 3,4-dihydropyrimidine-2(1H)-one/thione derivatives from the1,3-dicarbonyl compound, urea/thiourea, and various aromatic aldehydes havebeen unveiled in the present research. TheZnONPs were synthesized by theco-precipitation method. The powder X-ray diffraction method was employed for the determination of thecrystallite size of the synthesized ZnONPs.The hexagonal phase was obtained in the XRD pattern of the synthesized ZnO NPs with anaverage crystallite size of 25 nm.The current synthetic strategy offers excellent yields, a short reaction time, favorable reaction conditions, easy transformation, non-chromatographic product purification, and catalyst recyclability. Furthermore, the catalyst could be retrieved and reused without losing any of its catalytic activity. As a result, this elegant protocol is an adequate method fordihydropyrimidinone/thione synthesis.

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Microstructural analysis has been performed on magnesium alloy electrodes, the material used for saltwater lantern batteries. This research aims to obtain detailed and accurate information needed to support the analysis of magnesium alloy corrosion resistance caused by the electrolysis process using various analytical methods in SEM(Scanning Electron Microscopy). It is a tool that uses an electron beam to display the surface structure and composition of a test material. The test carried out on this magnesium alloy electrode is to crush the electrode into a fine powder. Then the powder is put into a container for SEM-EDS testing. Magnifications start from 1,000xuntil 15,000x. The results showed that the greater the magnification on the microscope, the more it was seen that the lumps looked brittle. Then on the surface of the magnesium alloy electrodes, 58.00 wt% magnesium material is contained.

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The behavior of structures, machine or components made of composite materials or light high-performance alloys is still a great concern for applications in which high strength-to-mas-ratio is a fundamental requirement. Procedures to detect flaws of small initial cracks and evaluate fatigue crack growth are nowadays essentials for high performance flying or ground machines (airplanes, automobiles,...). Structural reliability and structural health monitoring are considered in this paper and the surface replica method is deepened. Numerical FEM models were developed to assist the surface replica method analysis of the results. Ti6Al4V alloy was considered. This paper is a short technical communication.

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