Targeting non-structural proteins and 3CLpro in SARS-CoV-2 virus using phytochemicals from medicinal plants - In-silico approach

In the present study, the main protease 3CL^pro and non-structural protein (NSP-12 with co-factors 7 and 8) trimer complex are used to study the protein-drug interactions with the phytochemicals from Ocimum Sanctum, Tinospora Cordifolia, Glycyrrhiza Glabra, and Azadirachta Indica. Which can give insight to be used as potent antiviral drugs against SARS-CoV-2. Twenty phytochemicals, five from each plant species, known for their wide range of biological activities were chosen from the literature. The in-silico study was carried out using virtual screening tools and the top five, which showed the least binding energies, were selected. Molecular docking tools revealed that gedunin and epoxy azadiradione proved to be excellent inhibitors for 3CL^pro and so did Tinosporide for non-structural-protein complex. Further, the best-hit phytochemicals with respect to structure similarities with FDA drugs and investigatory drugs, were considered for comparative study. Molecular docking was done to check the drug-protein interactions and to check the inhibitory responses of these drugs against the viral protein. The analyses showed that the phytochemicals had similar responses on the protein complex but with exceptionally higher inhibitory responses hence which may be taken for further clinical study.     

Redox-Switchable Complexes Based on Nanographene-NHCs

A series of rhodium and iridium complexes with a N-heterocyclic carbene (NHC) ligand decorated with a perylene-diimide-pyrene moiety are described. Electrochemical studies reveal that the complexes can undergo two successive one-electron reduction events, associated to the reduction of the PDI moiety attached to the NHC ligand. The reduction of the ligand produces a significant increase on its electron-donating character, as observed from the infrared spectroelectrochemical studies. The rhodium complex was tested in the [3+2] cycloaddition of diphenylcyclopropenone and methylphenylacetylene, where it displayed a redox-switchable behavior. The neutral complex showed moderate activity, which was suppressed when the catalyst was reduced.     

Cerium oxide-catalyzed multicomponent condensation approach to spirooxindoles in water

An efficient and facile green synthesis of spirooxindole derivatives bearing pyrano[2,3-c]pyrazole moiety has been achieved via a \(\mathrm{CeO}_{2}\)-NPs catalyzed four-component reaction in water. The protocol offers an environmentally benign and effective approach to highly functionalized and biologically interesting spiro[indoline-3,4\(^\prime \)-pyrano[2,3-c]pyrazole] derivatives. The synthesized compounds exhibit potent antioxidant and antibacterial activities.     

Structural phase transition of vanadium at 69 GPa

A phase transition was observed at 63-69 GPa and room temperature in vanadium with synchrotron x-ray diffraction. The transition is characterized as a rhombohedral lattice distortion of the body-centered-cubic vanadium without a discontinuity in the pressure-volume data, thus representing a novel type of transition that has never been observed in elements. Instead of driven by the conventional s-d electronic transition mechanism, the phase transition could be associated with the softening of C44 trigonal elasticity tensor that originates from the combination of Fermi surface nesting, band Jahn-Teller distortion, and electronic topological transition.     

Femtosecond laser erasing and rewriting of self-organized planar nanocracks in fused silica glass

Tightly focused, linearly polarized, femtosecond laser radiation can produce highly birefringent nanograting structures inside fused silica glass. Here we report that when the polarization direction of the femtosecond light is changed, old nanogratings are erased and simultaneously replaced with new ones whose orientation is solely determined by the polarization of the rewrite beam. We also show that these volume nanogratings can be rewritten 1000 times with little degradation in their quality.     

Unprecedented coloration of rutile titanium dioxide nanocrystalline thin films

In this communication, TiO2 nanocrystalline thin films synthesized by a room temperature (27 degrees C) chemical dip process. To our knowledge, this is first report of the preparation of nanoscale rutile TiO2 particles from common inorganic salt at such low temperature. Interestingly, unprecedented dynamic color change accompanies with titanium dioxide grain size, which can be seen with the naked eye that generated curiosity in our mind to check UV-vis absorption, where significant changes were observed. The room temperature synthesized thin films of rutile titanium dioxide make it a potential candidate for high-compatibility material, which can be used in artificial heart valves.     

Electrocatalytic sensing of omeprazole

Ionics - A novel, simple, sensitive, and highly selective omeprazole sensor based on the synergistic effect of polyaniline (PANI) and multiwalled carbon nanotubes (MWCNTs) has been developed. The...     

Synthesis of SnO2 nanostructures by ultrasonic-assisted sol–gel method

Fluorine doped SnO₂ nanostructures were grown using ultrasonic assisted sol–gel method. The gel was obtained by dissolving stannous chloride in methanol with ammonium fluoride as dopant followed by irradiation with ultrasonic vibrations. Obtained samples were characterized by structural, morphological and optical studies. All the peaks in the X-ray diffractograms are identified and indexed as tetragonal cassiterite structure. Negative slope of Williamson–Hall plots indicates compressive strain. Particle size of SnO₂ nanostructures is decreases with increases in concentration of fluorine doping. Atomic force microscopy, scanning electron microscopy and transmission electron microscopy studies confirm the formation of ring like porous structures and then hollow tube like growth with increase in the fluorine concentration. Peaks in Raman spectra also indicate strong confinement in SnO₂ particles. Distinct peaks in the PL spectra make the structure suitable for photovoltaic applications.     

Studies on the thermal properties of silicone polymer based thermal protection systems for space applications

Journal of Thermal Analysis and Calorimetry - Thermal decomposition, thermal conductivity, specific heat and flammability of polydimethyl siloxane (PDMS) resin and three PDMS-based systems with...     

Continuous production of extracellular l-glutaminase by ca-alginate-immobilized marine Beauveria bassiana BTMF S-10 in packed-bed reactor

l-Glutamine amidohydrolase (l-glutaminase, EC 3.5.1.2) is a therapeutically and industrially important enzyme. Because it is a potent antileukemic agent and a flavor-enhancing agent used in the food industry, many researchers have focused their attention on l-glutaminase. In this article, we report the continuous production of extracellular l-glutaminase by the marine fungus Beauveria bassiana BTMF S-10 in a packed-bed reactor. Parameters influencing bead production and performance under batch mode were optimized in the order-support (Na-alginate) concentration, concentration of CaCl₂ for bead preparation, curing time of beads, spore inoculum concentration, activation time, initial pH of enzyme production medium, temperature of incubation, and retention time. Parameters optimized under batch mode for l-glutaminase production were incorporated into the continuous production studies. Beads with 12×10⁸ spores/g of beads were activated in a solution of 1% glutamine in seawater for 15 h, and the activated beads were packed into a packed-bed reactor. Enzyme production medium (pH 9.0) was pumped through the bed, and the effluent was collected from the top of the column. The effect of flow rate of the medium, substrate concentration, aeration, and bed height on continuous production of l-glutaminase was studied. Production was monitored for 5 h in each case, and the volumetric productivity was calculated. Under the optimized conditions for continuous production, the reactor gave a volumetric productivity of 4.048 U/(mL·h), which indicates that continuous production of the enzyme by Ca-alginate-immobilized spores is well suited for B. bassiana and results in a higher yield of enzyme within a shorter time. The results indicate the scope of utilizing immobilized B. bassiana for continuous commercial production of l-glutaminase.