Isatin derivatives were condensedby refluxing ethanol with thiazolobenzimidazole, yielding four linked 2-oxoindolin-3-ylidene)benzo [4,5]imidazo-[2,1-b]thiazol-3(2H)-ones. Thermal evaporation was used to deposit thin films of the produced 2-oxoindolin-3-ylidene)benzo [4,5]imidazo-[2,1-b]thiazol-3(2H)-one derivatives, which underwent thorough analysis employing UV–Vis and NIR spectroscopy. The spectral profiles of these materials were scrutinized with respect to their absorption, dielectricconstants, and dispersion propertiesand compared to previously published data. The current samples were suitable for application in optoelectronic devices, particularly as solar-absorbent materials, due to their high absorption coefficient (α > 10⁵cm⁻¹) at a solar maximum wavelength (λ = 500 nm). Additionally, their band and optical gap energies have been determined as 3.60, 3.56, 2.53, and 3.24 eV. The conclusions drawn from geometry optimization and nonlinear optical (NLO) calculations, performed using density functional theory (DFT) with the Becke, 3-parameter, Lee–Yang–Parr (B3LYP) approach at the 6–311G (d,p) level, further support these findings.

Terpyridine-based metal complexes have emerged as versatile and indispensable building blocks in the realm of modern chemistry, offering a plethora of applications spanning from materials science to catalysis and beyond. This comprehensive review article delves into the multifaceted world of terpyridine complexes, presenting an overview of their synthesis, structural diversity, and coordination chemistry principles. Focusing on their diverse functionalities, we explore their pivotal roles in catalysis, supramolecular chemistry, luminescent materials, and nanoscience. Furthermore, we highlight the burgeoning applications of terpyridine complexes in sustainable energy technologies, biomimetic systems, and medicinal chemistry, underscoring their remarkable adaptability to address pressing challenges in these fields. By elucidating the pivotal role of terpyridine complexes as versatile building blocks, this review provides valuable insights into their current state-of-the-art applications and future potential, thus inspiring continued innovation and exploration in this exciting area of research.

The escalating incidence of bacterial resistance to commonly prescribed antibiotics underscores the urgent need for the rapid development of innovative antibacterial medications. Heterocyclic compounds, particularly nitrogen-containing heterocycles like pyrazoles and thiazoles, have garnered attention for their diverse biological activities, including antimicrobial properties. Here, we present a green and efficient multicomponent synthesis method for fourteen novel benzothiazole-tethered pyrazole derivatives. Utilizing the deep eutectic solvent glycerol/K₂CO₃ as a base-catalytic reaction medium at 70 °C, this synthesis approach yielded promising compounds exhibiting substantial antimicrobial activity against various pathogenic microorganisms such as Staphylococcus aureus, Bacillus cereus, and Candida albicans. Among these, 4-(benzo[d]thiazol-2-yl)-3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-5-amine emerged as the most promising candidate, showcasing significant inhibitory potentials with CZD values of 24 mm, 21 mm, and 26 mm for S. aureus, B. cereus, and C. albicans, respectively. Molecular docking studies further supported the experimental observations, revealing the high binding affinity of the compound to the nitroreductase enzyme with a binding score of −8.5 kcal/mol. These findings underscore the potential of these synthesized compounds as antimicrobial agents and suggest avenues for future research in exploring their structure-activity relationships and therapeutic applications in combating bacterial infections.

Three p-tert-butylthia calix[4]arene derivatives containing p-toluenesulfonyl groups at the lower rim and characterized by their high electron density and aromatic content were synthesized. These were analyzed using FT-IR, NMR, elemental analysis, and optical absorption spectra. Thin films of the compounds were created via thermal evaporation and assessed through UV–Visible spectroscopy, with dielectric and dispersion properties compared to existing literature. The results reveal that the band energy gaps for compounds 2–4 are 3.70, 3.23, and 2.90 eV, respectively. The increased conjugation and high absorption coefficients observed make these materials promising for optoelectronic applications. The films exhibited extraordinarily high nonlinear optical properties, with refractive index and third-order nonlinear susceptibility approximately 400 times greater than those of chalcogenide and oxide materials, highlighting their suitability for nonlinear optical systems. Furthermore, our findings are consistent with density functional theory (DFT) calculations using the Becke, 3-parameter, Lee-Yang-Parr (B3LYP) approach at the 6-311G(d,p) level, validating the theoretical predictions with experimental data.

Thermally Activated Delayed Fluorescence (TADF) materials have emerged as a revolutionary class of functional compounds, driven by their unique ability to utilize excitons from both singlet and triplet states for efficient fluorescence emission. This manuscript provides an overview of recent innovations in TADF material design, focusing on molecular strategies to achieve optimal TADF properties, including small singlet–triplet energy gaps (ΔE_ST) and high photoluminescence quantum yields. We explore the diverse applications of TADF materials, spanning OLEDs, biomedical imaging, photosensitizers, photocatalysis, UV photodetectors (UVOPDs), electrogenerated chemiluminescence, triplet–triplet annihilation (TTA) sensitizers, organic hybrid microwire radial heterojunctions, multicolor luminescent micelles, mechano-luminescence (ML), light-emitting electrochemical cells (LEECs), and fluorescent probes. The integration of TADF materials in these technologies highlights their potential to enhance performance and efficiency. Through this review, we aim to elucidate the fundamental principles governing TADF behavior and present a forward-looking perspective on the synthetic methodologies and new, versatile applications of materials.

A new series of N'-[2-(1,3-benzothiazol-2-ylthio)acetoxy]aryl-2-carboximidamides (5a-5i) and 2-([(3-aryl-1,2,4-oxadiazol-5-yl)methyl]thio)-1,3-benzothiazoles (6a-6i) were successfully synthesized in good to excellent yields by reacting (1,3-benzothiazol-2-ylthio)acetic acid (2) with the respective arylamidoximes (4a-4i). The reactions were carried out in dry polar aprotic solvents, with acetonitrile used for the synthesis of 5a-5i and dimethylformamide for 6a-6i, in the presence of N,N'-carbonyldiimidazole as a coupling reagent. The structures of the target synthesized were clearly confirmed through IR, NMR, elemental analysis, and mass spectrometry data. The electronic properties and optimized geometries of compounds 5a–6i, analyzed through DFT (Density Functional Theory), provided valuable insights into their reactivity and interaction potential with biological targets. Analysis of the HOMO and LUMO highlighted regions of nucleophilic and electrophilic interactions, which are influenced by the presence of electron-donating and withdrawing substituents. These electronic factors correlate directly with the predicted biological activities of the compounds. Notably, compounds 5 g and 6 g emerged as the most promising candidates for biological applications, displaying narrow energy gaps, high electrophilicity indices, and balanced chemical hardness, indicating the importance of tuning electronic properties to optimize biological efficacy.

In continuation of our previous work, novel sulphonamide–thiazole hybrids were synthesized and evaluated for anticancer activity against NCI–H226 lung carcinoma cells, with WI-38 fibroblasts as a normal control. Among the tested compounds, fluoro-substituted compound 14 exhibited the highest potency (IC₅₀ = 16.10 μg/mL) and selectivity (SI = 183.79), while halogen- and nitro-substituted analogs (4–6) showed moderate activity. Quantum mechanical studies using DFT (B3LYP/6-311G(d,p), SMD solvent) rationalized the observed SAR, highlighting the role of electronic and steric effects in modulating activity. Molecular docking revealed stronger binding of compound 14 to EGFR (−8.2 kcal/mol) than TP53 (−7.1 kcal/mol), suggesting EGFR as its primary target, with TP53 interactions supporting apoptotic signalling. ADMET predictions indicated favourable drug-likeness, low toxicity, and non-mutagenicity. Molecular dynamics simulations over 100 ns confirmed that compound 14 forms highly stable complexes with both EGFR and TP53, preserving secondary structures, and consistent hydrogen-bonding and hydrophobic interactions, with MM-GBSA free energies of ~ –75 kcal mol⁻¹. Free energy landscape and principal component analyses demonstrated conformational adaptability and long-term stability. Collectively, these results identify compound 14 as a potent, selective, and energetically favourable dual-target anticancer agent, providing a strong mechanistic foundation for further preclinical development.

Background

Indolinone and spiro-indoline derivatives have been employed in the preparation of different important therapeutic compounds required for treatment of anticonvulsants, antibacterial, Antitubercular, and anticancer activities. Schiff bases have been found to possess various pharmacological activities such as antitubercular, plant growth inhibiting, insecticsidal, central nerve system depressant, antibacterial, anticancer, anti-inflammatory, and antimicrobial. Mannich bases have a variety of biological activities such as antibacterial and antifungal activities.

Results

In this study, a green, rapid and efficient protocol for the synthesis of a new series of Schiff bases from spiro[indoline-3,4′-pyran]-3′-carbonitrile derivatives using ammonium chloride as a very inexpensive and readily available reagent. The prepared compounds were assessed in vitro for their antimicrobial activity. Also, the cytotoxic activity of the prepared compounds was assessed in vitro against human cells line MCF7 breast cancer.

Conclusion

Good activity was distinguished for Schiff bases from spiro[indoline-3,4′-pyran]-3′-carbonitriles, with some members recorded higher antimicrobial and anti-breast cancer activities.

A simple and convenient 1,3-dipolar cycloaddition of non-stabilised azomethine ylides derived from isatins and L-proline, in a variety of different solvents, to (Z)-4-arylidene-1-phenylpyrazolidine-3,5-diones as dipolarophiles afforded a series of novel dispiro[pyrazolidine-4,3′-pyrrolizidine-2′,3″-indoline]-2″,3,5-triones regioselectively and in good yields.

A facile one-pot synthesis of spirooxindolinopyrrolizidines incorporating the pyrene moiety was accomplished in good yields through a 1,3-dipolar cycloaddition reaction of 3-aryl-1-(pyren-1-yl)prop-2-en-1-one derivatives with in situ-generated azomethine ylides.