Methodology is reported for the synthesis of a six-membered heterocyclic ring involving cyclocondensation reaction through sulfur-sulfur bond formation. This method of synthesis allows for developing a new class of dithiadiazines. A series of bis-[6-tetra-O-acetyl-β-D-glucopyranosylimino-1,2,4-triazolo[3,4-b]-1,2,4,5-dithiadiazin-4-yl] alkanes have been synthesized by using a reagent, tetra-O-acetyl-β-D-glucopyranosylimino chloromethane sulfenyl chloride and bis-(4-amino-5-mercapto-1,2,4-triazol-3-yl) alkanes. These newly formulated N-glycosylated molecules could serve as a potential biological entity.

The past decade has witnessed significant progress in synthesizing structurally diverse and biologically relevant pyrano[2,3-c]pyrazole derivatives through the integration of green methodologies. A straightforward and environmentally friendly one-step method has been developed to synthesize divergent pyranopyrazoles in good yields with the aid of zinc acetate as a Lewis acid catalyst in toluene as solvent under reflux conditions.

Through the implementation of a simple, environment friendly one-pot multicomponent reaction with 1 mmol of methyl acetoacetate, 2 mmol of different substituted aromatic aldehydes, and 2 mmol of different substituted aromatic anilines in the presence of triethylammonium hydrogen sulfate [Et3NH][HSO4] bronsted acid as an ionic liquid catalyst and Ethanol: water as a green solvent at 60°C temperature. We have developed an affordable and dynamic procedure for the synthesis of novel, medicinally essential tetrahydropyridine derivatives. One-pot multicomponent synthesis is an energetic topic in heterocyclic chemistry due to its vital advantages of simple reaction process, high atom economy, low cost, less amount of waste generation, and simple workup procedures, which make this process economically productive for industrial applications. The final compounds were confirmed via FTIR, ¹H-NMR, and ¹³C-NMR spectroscopy and were in contrast with their reported methods.

Annual increases in power use need improved energy management. Several universities and research organizations have focused on pursuing energy efficiency and renewable energy to satisfy this stipulation. This study provides a thorough and organized systematic review of over 2000 operational research studies conducted between 2019 and 2023. In summary, this study explores potential innovations to enhance existing literature utilizing mathematical tools in energy management. Our systematic literature review indicates that geometric planning is a novel mathematical technique in energy management. Based on the specific problems, this paper discusses geometric planning and proposes its integration with other mathematical techniques.

This study employs Molecular Electron Density Theory (MEDT) to explore the [3+2] cycloaddition mechanisms involving 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene (2-R) and nitrile oxide (3-R). Density Functional Theory (DFT) calculations using the B3LYP/6-311(d,p) method were performed to determine reactivity indices, activation energies, and reaction energies. The conceptual DFT analysis indicates that 1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene 2-R acts as a nucleophile, while nitrile oxide 3-R functions as an electrophile. The reaction exhibits notable chemoselectivity and regioselectivity, supported by activation energies that align with experimental data. BET analysis suggests a one-step mechanism with asynchronous bond formation. Additionally, molecular docking studies of the reaction products against HIV-1 and COVID-19 reveal that the presence of oxygen and nitrogen atoms enhances the interaction energy with proteins, indicating potential therapeutic benefits.

Using a regioselectivity descriptor known as Fukui indices, this theoretical study examines the reactivity of cycloaddition processes of benzamide (PhCONH2) and chlorocarbonylsulfenyl chloride (ClCOSCl) at the level of base 6-311 G (d. p) by use of the DFT approach. Therefore, the attack of the sulfur atom on nitrogen and carbon on oxygen is kinetically more preferred than the assault of the sulfur atom on oxygen and carbon on nitrogen, as we have observed from our study. The electrophilic Δω difference between chlorocarbonylsulfenyl chloride and benzamide is 1.3726 eV. This indicates that the reaction under investigation has a polar nature (Δω > 1). on oxygen and carbon on nitrogen, as we have observed from our study. We have also studied the stereoselectivity and feasibility of these reactions from a thermodynamic and orbital point of view. The transition states of this reaction have been determined.

Oxadiazoles, a class of nitrogen-containing heterocycles, exhibit diverse applications in pharmaceuticals, industry, and other fields. This study employs Density Functional Theory (DFT) to investigate the structural, electronic, and spectroscopic properties of four oxadiazole isomers. The B3LYP functional and the 6-311G(d,p) basis set were used for calculations. Frontier orbital energies, energy gap, chemical reactivity descriptors, dipole moment, and thermodynamic properties were computed. Additionally, IR and UV spectra were analyzed. The results indicate significant variations in electronic and thermodynamic properties among the isomers. Isomer 4 demonstrated the highest stability and electrophilicity. The calculated IR and UV spectra were compared with available experimental and theoretical data. The study provides valuable insights into the structural and reactivity trends within the oxadiazole family, contributing to a deeper understanding of their potential applications.

A series of new compounds, Substituted 2-((2H-benzo[d][1,2,3]triazol-2-yl)thio)-N'-(2-oxoindolin-3-ylidene)acetohydrazide (3a-3g), 2-((2H-benzo[d][1,2,3]triazol-2-yl)thio)-N-(2,4'-dioxospiro[indoline-3,2'-thiazolidin]-3'yl)acetamide (4a-4g), and 2'-(((2H-benzo[d][1,2,3]triazol-2-yl)thio)methyl)spiro[indoline-3,5'-thiazolo[4,3-b][1,3,4]oxadiazol]-2-one (5a-5g), were synthesized and checked for their anti-inflammatory, analgesic, and antibacterial activities. Compound 5d proved to be the most potent anti-inflammatory and antibacterial agent. The analgesic activity, however, was maximum in compound 5e. The structural integrity of the synthesized compounds was ascertained using elemental analysis, infrared spectroscopy (IR), and proton nuclear magnetic resonance spectroscopy (¹H NMR).

A series of 6-(Aryl)-4-[4-(2,4-dichlorophenylmethoxy)-3-methoxyphenyl]-2,3,4,5-tetrahydro-indazol-3-one derivatives (3a-3i) have been synthesized by refluxing of previously synthesized Ethyl-4-(aryl)-6-[4-(2,4-Dichlorophenylmethoxy)-3-methoxyphenyl]-2-oxo-cyclohex-3-eneoates (2a-2i) with hydrazine hydrate in methanol for 7-8 hours in presence of catalytic amount of glacial acetic acid. The analytical and physical data of all the synthesized compounds (2a-2i) and (3a-3i) were observed and reported. The structures of each newly synthesized Indazole derivative have been characterized by various methods like Elemental analysis, Infrared spectroscopy, 1H-NMR and 13CMR spectroscopy and Mass spectroscopy. Furthermore, each compound was screened for its in-vitro antibacterial activity towards Gram-positive and Gram-negative bacterial strains and antifungal towards fungi Aspergillus niger (A. niger) and Candida albicans (C. albicans) with the concentration of 40 μg/ml and data was collected.

In this charge we designated a Hilbert-Johnson process by coupling of heterocyclic N-silylated with benzyl chloride at 100°C using the calcined red algae (CRA) doped with ammonium sulfate (AS), AS@CRA as a heterogeneous catalyst. The resulting examination systems, which included atomic absorption, BET methodology and X-ray diffraction (XRD), scanning electron microscopy (SEM/EDX), and Fourier transform infrared spectroscopy (FT-IR), were employed to describe these catalysts. The effect of catalyst and alkylated agent were extensively studied. This catalyst can also be recycled several times in this condensation, and lastly, we suggested a probable answer mechanism for this process. Moreover, our molecular docking investigation revealed the anti-tuberculosis potential of the synthesized compounds. Notably, the drug isoniazid exhibited higher binding energies compared to the products 2a, 2b, and 2c. Additionally, the ADME study suggests that highly efficacious synthetic compounds may possess anti-tuberculosis properties.