Extensive research work has been published on Tetrahydro and Dihydropyrimidine derivatives. Pyrimidine-5-Carbonitrile and its analogs have demonstrated a large number of activities. Some 6-Halogenosubstituted pyrimidine analogs have also been reported to be biologically active to a certain extent, but the literature survey reveals not much report on 6-alkylated pyrimidine derivatives. Targeting enhancement in biologically useful properties of a lead molecule through the association of it with active pharmacophoric groups or molecules is a conventional method in pharmaceutical research. With an aim to explore a better useful Dihydropyrimidine derivative, a newer 4-Alkylated-1,6-dihydropyrimidine analog (1) has been prepared. The lead molecule (1) has further been converted to amine derivative (2), hydrazino derivative (3) tri substituted s-triazinyl derivative (4), sulphonamide (5), Schiff’s base (6), a thiazolidinones (7), and 2-Azetidinones (8) respectively using various methods. Compounds 2, 4, 5, and 7 showed 50% and 8 showed 100% bacterial inhibition at 32μg/mL in single-point bacterial inhibition against various bacterial strains.

In the current study, the compound 4,4-dimethoxychalcone (DMC) was structurally studied and analyzed by in silico approach against M^pro to investigate its inhibitory potential. The molecular structure of the compound was confirmed by the single crystal X-ray diffraction studies. The crystal structure packing is characterized by various hydrogen bonds, C-H…π and π…π stacking. Intermolecular interactions are quantified by Hirshfeld surface analysis and the electronic structure was optimized by DFT calculations; results are in agreement with the experimental studies. Further, DMC was virtually screened against SARS-CoV-2 main protease (PDB-ID: 6LU7) using molecular docking, and molecular dynamics (MD) simulations to identify its inhibitory potential. A significant binding affinity exists between DMC and M^pro with a -6.00 kcal/mol binding energy. A MD simulation of 30ns was carried out; the results predict DMC possessing strong binding affinity and hydrogen-bonding interactions within the active site during the simulation period. Therefore, based on the results of the current investigation, it can be inferred that a DMC molecule may be able to inhibit M^pro of COVID-19.

Many-objective optimization (MaO) deals with a large number of conflicting objectives in optimization problems to acquire a reliable set of appropriate non-dominated solutions near the true Pareto front, and for the same, a unique mechanism is essential. Numerous papers have reported multi-objective evolutionary algorithms to explain the absence of convergence and diversity variety in many-objective optimization problems. One of the most encouraging methodologies utilizes many reference points to segregate the solutions and guide the search procedure. The above-said methodology is integrated into the basic version of the Moth Flame Optimization (MFO) algorithm for the first time in this paper. The proposed Many-Objective Moth Flame Optimization (MaOMFO) utilizes a set of reference points progressively decided by the hunt procedure of the moth flame. It permits the calculation to combine with the Pareto front yet synchronize the decent variety of the Pareto front. MaOMFO is employed to solve a wide range of unconstrained and constrained benchmark functions and compared with other competitive algorithms, such as non-dominated sorting genetic algorithm, multi-objective evolutionary algorithm based on dominance and decomposition, and novel multi-objective particle swarm optimization using different performance metrics. The results demonstrate the superiority of the algorithm as a new many-objective algorithm for complex many-objective optimization problems.

In this work, we have reported a synthesis of some novel pyrazol-pyrimidine derivatives (3a-f) obtained by the reaction of substituted pyrazole aldehydes and barbituric acid derivatives in presence of L-proline as a catalyst via Knoevengal condensation reaction. The structures of the synthesized compounds were characterized by spectral methods. From antibacterial activity, compounds 3d and 3f exhibited highest zone of inhibition as compared to standard drug gentamicin. Cytotoxicity results revealed that compound 3e exhibited a promising IC50 value against both the cell lines (A549 and MCF-7) as compared to the standard drug doxorubicin. Docking study discloses that, all the newly synthesized compounds displayed promising binding energies with the protein receptor EGFR kinase domain.

A new salicylaldehyde-based sensor N'-(5-bromo-2-hydroxybenzylidene)-4-methylbenzohydrazide (P4) was designed, and its sensing ability towards various metal ions was assessed using UV-visible spectroscopy. The structure of P4 was spectroscopically characterized by UV-Visible, Infrared, ¹H-NMR, ¹³C-NMR spectroscopy and mass spectrometry. UV-Visible absorption spectral study showed selective sensing ability of P4 for Cd²⁺ and Ni²⁺ ions in presence of diverse transition metal ions. The results revealed that the detection limit for Cd²⁺ and Ni²⁺ was 3.14 µM and 0.92 µM, respectively. Moreover, the compound P4 was fully implemented for detection of Cd²⁺ and Ni²⁺ in simulated samples.

The present includes the synthesis of pyrazoline derivatives using chalcones and phenyl hydrazine in the presence of ethanol. It also reveals that 2-pyrazoline complexes are physiologically active and may be used in a variety of therapeutic functions. FT-IR, ¹H-NMR, ¹³C-NMR, LC-MS, and elemental analyses were used to characterise newly synthesised phenyl-pyrazoline derivatives. The antimicrobial activity of the synthesised compounds was assessed using the agar well diffusion assay and the Minimum Inhibition Concentration (MIC). Compounds 4b, 4f, and 4h have exhibited remarkable antibiotic action against bacterial strains such as Staphylococcus aureus, Bacillus subtilis, Salmonella. Typhi, and Shigella sp. On the other hand, compound 4h had significant antifungal activity against Candida albicans and Aspergillus fusarium and was a highly promising agent when compared to standard nystatin.

The construction of a λ-shaped three side substituted alkoxy based molecular system (E1-E8) with azo-ester group was carried out and studied for liquid crystalline applications. The mesogenic behaviour and thermal stability of synthesized derivatives were checked and analyzed by POM, DSC and TGA analysis. These azo-ester based compounds show smectic C and nematic type mesomorphic properties. The observed texture patterns of the synthesized compounds are fan, broken fan, schlieren and threaded types. All derivatives shows broad temperature range of mesophase and further stabilized upto the room temperature. The structure-property relationship has been further studied to understand the effect of variable side-chain on liquid crystalline properties.

Drug-resistant microorganisms are a serious problem, particularly when more strains become immune to different antimicrobials. Antibiotic resistance has now developed in several microbes. Therefore, it is crucial to build new medications that are still efficient. The amount of funding that is often available for such progress is lower than what is necessary. Kydia calycina is a Malvaceae flowering plant used in traditional Indian medicine to cure several diseases, including infections. The goal of this study was to determine whether K. Calycina has antifungal and antibacterial properties. Infections are caused by the profusion of microbes in the environment; thus, plant products and active chemicals are employed to assess the antimicrobial property of the extracts and the inhibition zone of each extract on a range of bacterial and fungal strains. The results showed that when it was applied to the species that were studied, there was a considerable decrease in the growth of bacteria. The plant was subjected to a phytochemical analysis, which was completed. This plant may be employed in the quest for bioactive natural substances that might be used as leads in the creation of pharmaceuticals. The antimicrobial mechanism of action was investigated by molecular docking, and it was determined that Hibiscoquinone B and Hibiscone C showed both antibacterial and antifungal activity.

The aim of this paper is to explore the influence of training and development on employee’s performance through different dimensions. Moreover, this study proposes a model in the area of human resource development to be used for testing and improving the performance of employees in the Indian travel and tourism sector. An integrated model was developed highlighting the relationship between the training and development and employee performance. Using the sample of 146 employees, structural equation modelling (SEM) was employed to validate the hypothesized relationship by evaluating the responses of employees working in the Indian travel agencies. The findings of this study demonstrate a strong relationship between training and development and employee performance in the travel industry and also can be used by managers and HR professionals for organizing exclusive training programs for improving employee's performance based on the dimensions used in this paper. The present study provides an empirical and theoretical explanation of different dimensions associated with training and development and employee performance, especially in the Indian tourism industry.

This study aims to build a framework for measuring the productivity in the public transport sector through a data envelopment analysis (DEA) technique. This paper extends the Malmquist productivity index (MP1) and Luenberger productivity indicator (I.P1) evaluation with the concept of an input-oriented new slack model (NSM). NSM model measures the efficiency with the effect of slacks and satisfies unit invariance, radial and translation invariance properties. In particular, the purpose of the proposed extension is to obtain the overall productivity change in terms of technical change (Frontier Shift) and technical efficiency change (Catch-up Effect) for Rajasthan State Road Transport Corporation (RSRTC) bus depots from 2008 to 2019. For this purpose, the number of buses, number of employers, fuel consumption and route distance arc are considered input variables, while passenger-kilometres occupied and vehicle utilisation are output variables. Finally, the result demonstrates that the average total factor productivity (TFP) growth of 46 depots using MPI and LPI over the study period is 1.956% and 1.409%, respectively. This study enables policy-maker and managers to evaluate the input to reach consistent output up to an optimum level and understand the process of improving the productivity level for the bus depots.