H14[NaP5W30O110] as a Heterogeneous Recyclable Catalyst for the Synthesis of 6,8-Dimethyl-3-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiazepine Derivatives

6,8-Dimethyl-3-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiazepine derivatives were synthesized by cyclodehydration of 3-aryl-4-amino-5-mercapto-1,2,4-triazole with 2,4-pentanedione in the presence of a catalytic amount of Preyssler catalyst under very mild conditions.     

A multivariate quantification of Box‐Behnken design assisted method development and validation of dextromethorphan hydrobromide and desloratadine simultaneously by reverse‐phase HPLC in in‐house syrup formulation

An innovative high‐performance liquid chromatography assay method was developed and validated for quantification of dextromethorphan hydrobromide and desloratadine simultaneously in monophasic liquid formulation by preparing syrup containing 30 mg/5 mL of dextromethorphan hydrobromide and 1.2 mg/mL of desloratadine. The chromatographic severance was executed by gradient solution A and B. The composition of buffer solution A contained 0.05 M monobasic potassium, then 1 mL triethylamine was added to it and the pH was adjusted to 2.3 with orthophosphoric acid. Methanol was used as solution B. The gradient elution was executed with Kromasil C8 (250 mm × 4.6 mm) column having 1.5 mL/min flow rate and 20 µL injection volume with UV‐estimation at 254 nm for dextromethorphan hydrobromide and DES. The present research was planned according to Box‐Behnken design by utilizing design expert software, using four factors such as column temperature (A), flow rate (B), mobile phase–organic phase (C), and pH (D); correspondingly the selected response variables were resolution between A and B, that is, desloratadine and methyl paraben (Y1), tailing of dextromethorphan hydrobromide (Y2), and tailing of desloratadine (Y3). The parameters such as system suitability, linearity, accuracy, precision, robustness, limit of detection, limit of quantitation, and ruggedness were analyzed to validate the developed method in accordance with current regulatory guidelines.     

Identification of Persuasive Antiviral Natural Compounds for COVID-19 by Targeting Endoribonuclease NSP15: A Structural-Bioinformatics Approach

SARS-CoV-2 is a positive-stranded RNA virus that bundles its genomic material as messenger-sense RNA in infectious virions and replicates these genomes through RNA intermediates. Several virus-encoded nonstructural proteins play a key role during the viral life cycle. Endoribonuclease NSP15 is vital for the replication and life cycle of the virus, and is thus considered a compelling druggable target. Here, we performed a combination of multiscoring virtual screening and molecular docking of a library of 1624 natural compounds (Nuclei of Bioassays, Ecophysiology and Biosynthesis of Natural Products (NuBBE) database) on the active sites of NSP15 (PDB:6VWW). After sequential high-throughput screening by LibDock and GOLD, docking optimization by CDOCKER, and final scoring by calculating binding energies, top-ranked compounds NuBBE-1970 and NuBBE-242 were further investigated via an indepth molecular-docking and molecular-dynamics simulation of 60 ns, which revealed that the binding of these two compounds with active site residues of NSP15 was sufficiently strong and stable. The findings strongly suggest that further optimization and clinical investigations of these potent compounds may lead to effective SARS-CoV-2 treatment.     

Plasma activated water: the next generation eco-friendly stimulant for enhancing plant seed germination,vigor and increased enzyme activity,a study on black gram (Vigna mungo L.)

Plasma Chemistry and Plasma Processing - Chemical fertilization in agriculture is threatening to the ecosystem. Therefore, the use of eco-friendly stimulant for crop revolution is highly desirable....     

Quantifying the geometry correction factor and effectiveness parameter for Bonner sphere spectrometer with 3He counter

This paper presents the evaluation of the geometry correction factor for calibration of Bonner sphere spectrometer (BSS) equipped with the ³He counter (typical SP9), based on Monte Carlo simulation. Using the MCNP4C code, geometry factors and effectiveness parameters (δ) of a 8″ polyethylene sphere (r = 10.16 cm) were calculated for 10 different energies and 3 various distances between the source and center of the sphere. The obtained results showed that the geometry factor increases with the distance, and the effectiveness parameter is independent of distance. Finally, for 2″, 3″, 5″, 8″ and 12″ spheres exposed to four different radio-isotopic neutron sources with various energy spectrums, the effectiveness parameters were determined, which it is worthy to consider δ ≡ δ(r, E).     

Synthesis of palm oil-based fatty methylhydrazide

Fatty methylydrazides (FMHs) have been successfully synthesized from palm oil. Glycerol was produced as a by-product. The synthesis was carried out by reflux palm oil with methylhydrazine in hexane. FMHs have been characterized using elemental analysis, Fourier transform infrared spectroscopy and ¹H nuclear magnetic resonance technique. The results showed that a 6:1 molar ratio of palm oil to methylhydrazine, a round 78 % maximum conversion of palm oil into FMHs and a 10 h reaction time are the optimum reaction conditions.