Probing the Binding of Syzygium-Derived α-Glucosidase Inhibitors with N- and C-Terminal Human Maltase Glucoamylase by Docking and Molecular Dynamics Simulation

Human maltase glucoamylase (MGAM) is a potent molecular target for controlling post prandial glucose surplus in type 2 diabetes. Binding of small molecules from Syzygium sp. with α-glucosidase inhibitory potential in MGAM has been investigated in silico. Our results suggest that myricetin was the most potent inhibitor with high binding affinity for both N- and C-terminals of MGAM. Molecular dynamics revealed that myricetin interacts in its stretched conformation through water-mediated interactions with C-terminal of MGAM and by normal hydrogen bonding with the N-terminal. W1369 of the extended 21 amino acid residue helical loop of C-terminal plays a major role in myricetin binding. Owing to its additional sugar sites, overall binding of small molecules favours C-terminal MGAM.     

Stereospecific 1,2-Migrations of Boronate Complexes Induced by Electrophiles

The stereospecific 1,2-migration of boronate complexes is one of the most representative reactions in boron chemistry. This process has been used extensively to develop powerful methods for asymmetric synthesis, with applications spanning from pharmaceuticals to natural products. Typically, 1,2-migration of boronate complexes is driven by displacement of an α-leaving group, oxidation of an α-boryl radical, or electrophilic activation of an alkenyl boronate complex. The aim of this article is to summarize the recent advances in the rapidly expanding field of electrophile-induced stereospecific 1,2-migration of groups from boron to sp² and sp³ carbon centers. It will be shown that three different conceptual approaches can be utilized to enable the 1,2-migration of boronate complexes: stereospecific Zweifel-type reactions, catalytic conjunctive coupling reactions, and transition metal-free sp²–sp³ couplings. A discussion of the reaction scope, mechanistic insights, and synthetic applications of the work described is also presented.     

Study of COVID-19 epidemiological evolution in India with a multi-wave SIR model

Nonlinear Dynamics - The global pandemic due to the outbreak of COVID-19 ravages the whole world for more than two years in which all the countries are suffering a lot since December 2019. In this...     

The integrable Boussinesq equation and it’s breather,lump and soliton solutions

The fourth-order nonlinear Boussinesq water wave equation, which explains the propagation of long waves in shallow water, is explored in this article. We used the Lie symmetry approach to analyze the Lie symmetries and vector fields. Then, by using similarity variables, we obtained the symmetry reductions and soliton wave solutions. In addition, the Kudryashov method and its modification are used to explore the bright and singular solitons while the Hirota bilinear method is effectively used to obtain a form of breather and lump wave solutions. The physical explanation of the extracted solutions was shown with the free choice of different parameters by depicting some 2-D, 3-D, and their corresponding contour plots.

     

Synthesis and aggregational behavior of acidic proteinoid

Polypeptide-based acidic proteinoid containing L -glutamic acid and L -aspartic acid in excess and five other neutral and basic amino acids in minor proportions have been synthesized and found that it forms organized aggregates in an aqueous solution. The proteinoid aggregate has been characterized using ¹³C-NMR, IR, and fluorescence spectroscopic techniques. The c.m.c. of the proteinoid has been determined by conductometric and pH metric methods. The aggregation studies were carried out at different temperatures and varying ionic strengths of the medium. The phase transition of the proteinoid aggregate has been determined using the fluorescence absorbance method. The aggregation behavior is shown to be dependent on the pH of the solution. This was also supported by conductivity measurements. Using methylene blue as a model drug, the drug delivery property of the proteinoid micelles were studied in acidic (pH 4.5) and neutral (pH 7.4) mediums. Using biphasic model thermochemical parameters, ΔG, ΔH, ΔS, and ΔC_p have been evaluated. © 1996 John Wiley & Sons, Inc.     

Biochemical synthesis of water soluble polyanilines: Poly(p-aminobenzoic acid)

This report describes the synthesis of a water soluble polyaniline through a biochemical synthetic route. The oxidative free radical coupling mechanism for the synthesis of poly(p-aminobenzoic acid) is catalyzed by horseradish peroxidase in the presence of hydrogen peroxide. The resulting polymer is electrochemically active and undergoes reversible redox reactions. The polymer as synthesized is self doped and undergoes undoping in alkaline or ammonia solutions.     

Effect of Electric Field on Dielectric Properties of SnO2 Sb2O3 and their Mixed Thin Films

Thin films of various thicknesses in the MIM structure have been prepared from the the powders of SnO₂, Sb₂O₃ and (SnO₂ + Sb₂O₃) of high purity by the thermal evaporation technique in a vacuum of 10⁻⁵ Torr. Dielectric properties of SnO₂, Sb₂O₃, and their mixed thin films have been studied with ac and dc electric fields and frequency. Capacitance and loss tangent are almost independent on dc voltage upto 1.0 V for SnO₂, 10.0 V for Sb₂O₃ and 2.5 V for mixed films. These capacitors become unstable at 1.0 V for SnO₂ films and 2.5 V for mixed films. For higher film thicknesses the decay in these films starts at higher voltages. Capacitance and loss tangent increases with applied ac voltage in SnO₂, Sb₂O₃, and their mixed films. A comparison of the capacitance values of SnO₂, Sb₂O₃, and their mixed films showed that the capacitance values are less in Sb₂O₃ as compared to SnO₂ films. In mixed films the capacitance is greater than the constituent films. These studies have shown that Sb₂O₃ films are found to be more stable compared to SnO₂ and their mixed films for ac and dc voltages. The results thus obtained on SnO₂, Sb₂O₃, and their films are presented and discussed.     

Facile synthesis of an ambient stable pyreno[4,5-b]pyrrole monoanion and pyreno[4,5-b:9,10-b′]dipyrrole dianion: from serendipity to design

The stability of singly or multiply negatively charged π-conjugated organic compounds is greatly influenced by their electronic delocalization. Herein, we report a strategic methodology for isolation of a mysterious compound. The isolated compounds, a pyreno[4,5-b]pyrrole monoanion and pyreno[4,5-b:9,10-b′]dipyrrole dianion, were highly stable under ambient conditions due to high delocalization of the negative charge over multiple electron deficient C N groups and pyrene π-scaffolds and allowed purification by column chromatography. To our knowledge, this is the first report on TCNE type reductive condensation of malononitrile involving pyrene di- and tetraone and formation of pyrenopyrrole. All compounds were characterized by spectroscopic methods and X-ray crystallography. A UV-vis spectroscopic study shows an intense low energy absorption band with a large absorption coefficient (ε).

An ambient stable pyreno[4,5-b]pyrrole monoanion and pyreno[4,5-b:9,10-b′]dipyrrole dianion have been isolated and characterized, showing a low energy intense absorption band with the absorption coefficient reaching 7.1 × 10⁴ dm³ mol⁻¹ cm⁻¹.     

Cerium vanadate/carbon nanotube hybrid composite nanostructures as a high-performance anode material for lithium-ion batteries

The pristine CeVO4 and CeVO4/CNT hybrid composite nanostructured samples were facilely synthesized using a simple silicone oil-bath method.From the X-ray diffra...     

Semi-wet growth and characterization of multi-functional nano-engineered mixed metal oxides for industrial application

This review paper covers the low temperature wet growth of nano-engineered particles of ZnO-based mixed metal oxides, their growth mechanism, and characterization using X-ray diffraction, SEM, TEM and IR, UV–visible, and XPS spectral techniques. Main focus of this article is centered on low temperature semi-wet methods of synthesis that are suitable for large scale production of zinc oxide-based systems mixed with iron oxide, copper oxide, nickel oxide and cobalt oxide. These mixed metal oxides have broad industrial applications as catalyst, semiconductors, adsorbents, superconductors, electro-ceramics, and antifungal agents in addition to extensive applications in medicines. This paper discusses the low-cost and environment friendly synthesis of these mixed metal oxides, measurement of properties and applicability of these materials systems.