A series of piperazine-based phthalimide derivatives 5 (a-l) were synthesized and extensively characterized using a variety of spectrum methods, including LC-MS, 1H-NMR, 13C-NMR, and FT-IR. All the derivatives were examined for their physicochemical, pharmacokinetic, bio-activity score, and PASS analysis. The 5e piperazine-based phthalimide derivative demonstrated promising antibacterial activity against methicillin-resistant Staphylococcus aureus (MRSA) in the in vitro antibacterial studies. In comparison to streptomycin and bacitracin (10 µg/mL), the minimum inhibitory concentration of 5e against MRSA was discovered to be 45±0.15 micro g/ml. The anti-MRSA activity was validated with membrane damage studies by using SEM, and in silico docking studies were against 3VMT and 6FTB proteins of MRSA. In the toxicity study, 5e derivatives were evaluated against L6 cell lines. The results of the studies show the synthesized 2-(2-(4-((4-chlorophenyl) sulfonyl) piperazin-1-yl) ethyl) isoindoline-1,3-dione (5e) can be used for the development of anti-MRSA drugs.

The present paper elicits the zinc oxide nanoparticles-assisted synthesis of a new series of seven-membered 1,4-diazepine heterocyclic compounds as potent lead scaffolds. Structures of synthesized compounds were corroborated using spectroanalytical techniques viz, FT-IR, 1H, 13C NMR, Mass, and elemental analysis. Also, Field emission scanning electron microscopy (FE-SEM), Transmission electron microscopy (TEM), Energy dispersive x-ray analysis (EDAX), powder X-ray diffraction (PXRD), and Fourier transform infrared spectroscopy (FT-IR) were used to establish the structure and morphology of the synthesized nanocatalyst. The clean workup procedure, high to excellent yields, relatively short reaction times, and high atom economy are the incredible advantages associated with the protocol.

This study examined the nexus between electronic human resource management (e-HRM), employee engagement and organizational performance in small- and medium-sized Saudi firms. In total, 180 participants were randomly selected using convenience sampling. Structural equation model-partial least squares SEM-PLS, was applied for analysis purposes. The outcomes of this study show that there is no statistically significant relationship between organizational performance and e-HRM. E-HRM and employee engagement, as well as employee engagement and organizational performance, have a strong beneficial association. The results highlight the necessity of establishing efficient E-HRM procedures as a strategy to raise employee engagement and promote organizational performance.

Proficient routes were devised for coupling different aromatic/aliphatic acids with amines to form amide linkage using various catalysts. Under the optimized reaction conditions, highest conversion was possible without formation of any by-products. All synthesized compounds were purified using column chromatography and characterized by mass spectrometry, nuclear magnetic resonance spectrometry and liquid chromatography-mass spectrometric analysis.

A series of benzofuran derivatives compounds have been designed and synthesized. Here, Benzofuran linked with pyridinone compounds is reported. The desired compounds were prepared by using 2-nitrosalisaldehydnitrile (1). After, this is treated with chloroacetone, which results in the formation of 1-(3-amino-5-nitro-1-benzofuran-2-yl) ethanone (2). Later the 3a-b is produced by a reaction of acetylation and benzylation on compound 2 respectively. The alkylation of compounds 4a-b react with sodium hydroxide, we get new pyridinone compounds. All the synthesized compounds were characterized by IR, 1H NMR, and GCM. Further, these have been screened for their antimicrobial, and antioxidant activity. Along with this activity reference we design drug discovery of Molecular docking study by using different computational software.

Wide range of 2,4,5-trisubstituted imidazoles were synthesized using eco-friendly, readily available, inexpensive Zn(OAc)2•2H2O (5 mol%) under solvent-free conditions in moderate to excellent yields by condensation from aldehyde, ammonium acetate and benzil at 70 0C. The optimized reaction parameters were successfully applied for the synthesis of divergent 1,2,4,5-tetrasubstitued imidazoles using aromatic amine as fourth component. All the imidazole derivatives were sufficiently characterized by IR, NMR and Mass spectral analyses.

In the present work the synthesis of 4-phenyl-2, 6-di (thiazol-2-yl) pyridine copper chloride (abbreviated as Cu-DTPy) complex using copper (II) chloride and 2, 6-di (thiazol-2-yl) pyridine has been carried out. The complex has been specified by UV-Vis, FT-IR, CHNS and ESI-MS methods of analysis. The synthesized copper complex has been used as catalyst in the oxidation of p-aminophenol using hexacyanoferrate (III) ions as an oxidant in aqueous alkaline medium by kinetic-spectrophotometric method. This experimental work was carried out at optimum pH 11.0 and temperature 25ºC. The variation of effect of concentration of p-aminophenol (abbreviated as PAP), hexacyanoferrate (III) ions, and Cu-DTPy catalyst on reaction rate has been studied. Thermodynamic parameters such as free energy of activation, activation energy, enthalpy and frequency factor have been evaluated with the change in rate of the reaction at four disparate temperatures i.e. 25-40ᵒC. The oxidation products have been identified by FT-IR and ESI-MS spectroscopic analytical techniques. The major product of this reaction is NN’-bis-(p-hydroxyphenyl)-2-hydroxy-5-amino-1,4-benzoquinone di-imine. Thus, this method is highly efficient and environmentally safe to remove PAP from polluted water resources.

The aim of this study was the investigation of how adsorbents made from Leucaena leucocephala (L. Leu) leaf and bark materials were effective in treating wastewater containing methyl red dye (MeReD). The functional groups in the phytochemical elements from the bark and leaves of L.Leu offer active surface sites and enable the adsorption mechanism. The investigations were done in batch mode. Contact time, adsorbent dose concentration, temperature, pH, and initial MeReD concentration were all examined as significant parameters impacting the sorption process. The study found that significant MeReD removal efficiency was achieved after 90 min of contact time, pH 4.0 units, 1.2 gm/L adsorbent dose concentration, 100 ppm initial MeReD quantity, and 30 oC temperature. The developed adsorbents were applied to samples gathered from dye companies in Hyderabad and Guntur. The extraction of MeReD (81.2% to 90.0%) from untreated wastewater contaminated with MeReD using developed adsorbents was very efficient.

Single crystal X-ray diffraction is the only experimental technique available to elucidate the complete three-dimensional structure of the samples at molecular and atomic levels. But this technique demands defect-free single crystals. Growing good quality single crystals which are suitable to collect X-ray intensity data is an art rather than science. Among the various crystal growth methods, the most effective and commonly used is the slow evaporation method. Using this method, defect-free single crystals of the ground mixture of gallic acid (GA) and butyramide (BU) taken in a 1:1 molar ratio are obtained. The compound was subjected to experimental characterizations like; PXRD, FTIR, SCXRD, and TGA. Further, these results were utilized in the computational characterizations namely, Hirshfeld surface analysis, interaction energy calculations, DFT studies, and docking studies. Structural characterization revealed that the GA-BU compound was crystallized as a cocrystal hydrate with 2:1:1 stoichiometry in a monoclinic crystal system and P21/n space group. Structural studies exposed the presence of various inter and intramolecular hydrogen bond interactions, ring synthons, DDAA environment of the water molecule, and π ... π stacking interactions. The contribution of the several close contacts to the crystal structure, the influence of different interaction energies in the packing, the HOMO-LUMO energy gap, and the location of reactive sites were realized through computational studies. Further, a molecular docking study has been performed to check the antiviral activity of the title compound against COVID-19.

Experience plays a vital role in the decision-making (DM) process. In this paper simulation, modeling, and analysis of past experience over DM has been done using the Iowa gambling task (IGT). The Human DM process is very complex and difficult to model through computational methods because it is a subjective type of process and varies person-to-person. Therefore, this study is an attempt to simulate a DM model similar to the human DM process. For this collection of real data was done and was provided as input to the developed eight Reinforcement Learning (RL) models. The result shows that the performance of the model based on Prospect Utility (PU) learned with Decay Reinforcement Rule (DRI) and Trial Dependency Choice (TDC) is better as compared to other models. It is observed from the analysis of data and also validated that simulation and models output that the experienced group performs better than inexperienced.