Mineralization of monodispersed CdS nanoparticles on polyelectrolyte superstructure forming an electroluminescent "necklace-of-beads"

We report a nonmicellar method to synthesize monodisperse semiconducting nanoparticles templated on polymer chains dissolved in solution at high yield. The monodispersity is achieved due to the beaded necklace morphology of the polyelectrolyte chains in solution where the beads are nanometer-scale nodules in the polymer chain. The resultant structure is a nanoparticles studded necklace where the particles are imbedded in the beads. Multiple cycles of synthesis on the polymer template yield nanoparticles of identical size, resulting in a nanocomposite with high particle fraction. The resultant nanocomposite has beaded-fibrilar morphology with imbedded nanoparticles and can be solution-casted to make electroluminescent thin film device.     

Growth of barium oxalate crystals in agar–agar gel and their characterization

Single crystals of barium oxalate have been grown by gel method using agar‐agar gel as media of growth at ambient temperature. The optimum conditions were established by varying various parameters such as concentration of gel, concentration of reactant, gel setting time etc. Prismatic platy shaped transparent crystals were obtained. The grown crystals were characterized through powder X‐ray diffraction (XRD), Fourier transform infrared (FT‐IR) studies, Thermogravimetric (TGA) and Differential thermal analysis (DTA). The compound crystallizes under monoclinic structure with lattice parameters a = 6.6562 Å, b = 8.0464 Å, c = 2.8090 Å, β= 96.832°, and V = 149.38 ų. The FT‐IR spectrum indicates OH and carbonyl group along with the presence of metal‐oxygen bond. The TGA indicates 17.75% weight loss at 550°C from which the decomposition pattern is formulated. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Functionalized Cu‐MOF@CNT Hybrid: Synthesis,Crystal Structure and Applicability in Supercapacitors

The synthesis of a metal–organic framework (MOF) named IITI‐1 is reported by employing an H₂L linker with Cu(NO₃)₂?3 H₂O in a mixed solvent system of N,N‐dimethyl formamide (DMF) and H₂O. Further, in order to explore the energy storage application of IITI‐1 , a IITI‐1/CNT hybrid was prepared by a simple ultrasonication technique. Incorporation of a carbon nanotube (CNT) in the layered IITI‐1 MOF gave rise to enhanced electrolyte accessibility along with improved electrochemical storage capacity. The electrochemical investigations reveal a high specific capacitance (380 F g^?1 at 1.6 A g^?1) with a good rate performance for IITI‐1/CNT . The IITI‐1 MOF and the IITI‐1/CNT composite were characterized by PXRD, BET, SEM, and TEM techniques. Moreover, IITI‐1 MOF was also confirmed by single‐crystal XRD analysis.     

Manganese doping of magnetic iron oxide nanoparticles: tailoring surface reactivity for a regenerable heavy metal sorbent

A method for tuning the analyte affinity of magnetic, inorganic nanostructured sorbents for heavy metal contaminants is described. The manganese-doped iron oxide nanoparticle sorbents have a remarkably high affinity compared to the precursor material. Sorbent affinity can be tuned toward an analyte of interest simply by adjustment of the dopant quantity. The results show that following the Mn doping process there is a large increase in affinity and capacity for heavy metals (i.e., Co, Ni, Zn, As, Ag, Cd, Hg, and Tl). Capacity measurements were carried out for the removal of cadmium from river water and showed significantly higher loading than the relevant commercial sorbents tested for comparison. The reduction in Cd concentration from 100 ppb spiked river water to 1 ppb (less than the EPA drinking water limit of 5 ppb for Cd) was achieved following treatment with the Mn-doped iron oxide nanoparticles. The Mn-doped iron oxide nanoparticles were able to load ~1 ppm of Cd followed by complete stripping and recovery of the Cd with a mild acid wash. The Cd loading and stripping is shown to be consistent through multiple cycles with no loss of sorbent performance.     

Etch Pattern of Gel-grown Single Crystal of Ammonium Tartrate

Using optical techniques, a study was carried out of the etch patterns produced, by diluted oxalic acid and sodium hydroxide solution, at 30°C. Point bottomed and flat bottomed rectangular etch pits nucleated at the sites of dislocations parallel to ‘C’ axis of the crystal are observed. Mostly they are isolated, and randomly distributed. Further, on prolonged etching they penetrate deeper and their eccentricity can be attributed to the inclined nature of dislocations.     

Discovery of Novel Coumarin Derivatives as Potential Dual Inhibitors against α-Glucosidase and α-Amylase for the Management of Post-Prandial Hyperglycemia via Molecular Modelling Approaches

Coumarin derivatives are proven for their therapeutic uses in several human diseases and disorders such as inflammation, neurodegenerative disorders, cancer, fertility, and microbial infections. Coumarin derivatives and coumarin-based scaffolds gained renewed attention for treating diabetes mellitus. The current decade witnessed the inhibiting potential of coumarin derivatives and coumarin-based scaffolds against α-glucosidase and α-amylase for the management of postprandial hyperglycemia. Hyperglycemia is a condition where an excessive amount of glucose circulates in the bloodstream. It occurs when the body lacks enough insulin or is unable to correctly utilize it. With open-source and free in silico tools, we have investigated novel 80 coumarin derivatives for their inhibitory potential against α-glucosidase and α-amylase and identified a coumarin derivative, CD-59, as a potential dual inhibitor. The ligand-based 3D pharmacophore detection and search is utilized to discover diverse coumarin-like compounds and new chemical scaffolds for the dual inhibition of α-glucosidase and α-amylase. In this regard, four novel coumarin-like compounds from the ZINC database have been discovered as the potential dual inhibitors of α-glucosidase and α-amylase (ZINC02789441 and ZINC40949448 with scaffold thiophenyl chromene carboxamide, ZINC13496808 with triazino indol thio phenylacetamide, and ZINC09781623 with chromenyl thiazole). To summarize, we propose that a coumarin derivative, CD-59, and ZINC02789441 from the ZINC database will serve as potential lead molecules with dual inhibition activity against α-glucosidase and α-amylase, thereby discovering new drugs for the effective management of postprandial hyperglycemia. From the reported scaffold, the synthesis of several novel compounds can also be performed, which can be used for drug discovery.     

Repurposing the antibacterial drugs for inhibition of SARS-CoV2-PLpro using molecular docking,MD simulation and binding energy calculation

Molecular Diversity - Papain-like protease (nsp-3; non-structural protein) of novel corona virus is an ideal target for developing drugs as it plays multiple important functions for viral growth...     

Molecular Engineering of Metal Alkoxides for Solution Phase Synthesis of High-Tech Metal Oxide Nanomaterials

The ‘bottom-up’ synthesis of inorganic nanomaterials with precision at the atomic/molecular level offers many opportunities for the design and improvement of the nanomaterials for various applications. Molecular engineering during soft chemical processing for the synthesis of functional nanomaterials enables the desired chemical and physical properties of the precursors, such as solubility or volatility, clean decomposition, control of stoichiometry for multimetallic species to name a few, and leads to easy control of uniform particle size distribution, stoichiometry…. This Minireview illustrates some important aspects of the molecular engineering in light of some recent developments from the molecular synthesis of nanomaterials involving non-silicon metal alkoxide systems for high-tech applications.     

Organo-sulfonic acid catalyzed degradation kinetics and thermodynamic studies of nylon-6 by hydrothermal method

Nylon-6 as an engineering polymer and its starting monomer are both costly. Chemical reutilization offers some economic and environmental benefits. Depolymerization of nylon-6 was carried out by the conventional technique of hydrothermal method using various organo-sulfonic acids such as Methane sulfonic acid (MSA), para-toluene sulfonic acid (p-TSA), benzene sulfonic acid (BSA), and tetra-butyl ammonium bromide (TBAB) as a phase transfer catalyst. Various parameters such as temperature, time, normality of acids, and phase transfer catalyst concentration were varied to optimize its parameters, and characterization techniques such as amine value titrations and Fourier transform infrared spectroscopy were used for quantitative measurements. Solid-state ¹³C NMR was done for structure confirmation. A chemical kinetics interpretation shows degradation mechanism follows first-order kinetics under various catalysts. MSA has the highest reaction rate of 8.49 × 10^?2 h^?1 at 90°C; it decreases to 7.72 × 10^?2 h^?1 at 100°C. At the same time, aromatic Sulfonic acids such as p-TSA and BSA have a higher reaction rate of 8.995 × 10^?2 h^?1 and 5.582 × 10^?2 h^?1, respectively. The activation energy was lowered as the acidity of organo-sulfonic acids increased as benzene sulfonic acid has the lowest E_a. Followed by p-TSA, and MSA has the highest E_a. Free energy shows a similar kind of value. A simple theoretical model was used to calculate the activation energy. Thermodynamic parameters such as heat of enthalpy and entropy of reaction were evaluated using the Eryig–Polanyi equation. The combined catalytic effect of organo-sulfonic acids and phase-transfer catalyst provides a better environment-friendly method for depolymerizing nylon-6.