Harvinder Singh Sohal

A Fe ₃ O ₄ /ZnO S-scheme heterostructure achieved upto 96.58% malachite green degradation under UV light. DFT revealed 1.5259 eV energy gap and probable oxidative attack sites, supporting efficient, recyclable photocatalysis for wastewater treatment.

The pyrazole‐based derivatives containing hydantoin and barbiturate moieties were synthesized and characterized using ¹ H‐NMR, ^{1 3} C‐NMR, high‐resolution mass spectrometry (HRMS), Infrared Spectroscopy (IR), and UV–visible spectroscopy for structural studies and to evaluate their potential for optoelectronic applications. Quantum computations were performed with B3LYP, B3LYP‐D3, and CAM‐B3LYP functionals with the 6–311G(d,p) basis set. The TD‐B3LYP and TD‐CAM‐B3LYP methods with the 6–311G(d,p) basis set were employed to predict the UV–vis absorption spectra and oscillator strengths in the ethanol solvent phase. The Mulliken atomic charge distribution was employed to visualize electron‐rich and electron‐deficient regions. The energy gap between the HOMO and LUMO levels was evaluated to calculate the reactivity descriptors such as chemical potential (μ), electronegativity ( χ ), hardness ( η ), softness ( S ), electrophilicity index ( ω ), and maximum additional electronic charge (∆ N _max ), providing a comprehensive understanding of the electronic behavior and chemical stability of the compounds. The key optical properties such as the refractive index, optical band gap, dielectric constant, and extinction coefficient were analyzed. With band gaps of 2.84 eV (pyrazole‐barbiturate hybrid) and 3.27 eV (pyrazole‐hydantoin hybrid), these compounds fall in the wide‐bandgap semiconductor range.

The discharge of dye-loaded textile effluents poses serious environmental concerns due to their high stability. In this study, a magnetic Fe₂O₃/TiO₂/NBC (FNT) heterostructure, derived from Cannabis sativa-based nanobiochar (NBC), was developed for crystal violet (CrV) degradation via peroxymonosulfate (PMS) activation. The crystalline structure, surface functional groups, morphology, and elemental composition were analyzed using advanced characterized of the synthesized catalyst. X-ray photoelectron spectroscopy (XPS) analysis confirmed the presence of Fe³⁺, Ti⁴⁺, and abundant surface oxygen species. Under UV light, efficient electron transfer across the FNT interface promoted PMS decomposition into hydroxyl and sulphate radicals. Electrochemical results indicated reduced charge recombination and enhanced electron mobility. Under optimal conditions (PMS = 75 mg/L, FNT = 30 mg/L, pH 7), 98.9% CrV degradation was achieved within 120 min. The catalyst maintained over 97% efficiency after five cycles, demonstrating excellent stability and reusability. Overall, this research demonstrates a robust and sustainable catalytic system for efficient dye degradation, offering strong potential for practical wastewater treatment applications.

Considering the expanded interest in reducing organic solvents in synthesis, surfactants and surfactant-based catalysis have been used to carry out various organic transformations in water. In recent years, the integration of Lewis and Brønsted acid catalysis with micellar systems has gained considerable attention as a powerful approach to enhance reaction efficiency while minimizing the environmental impact of synthetic processes. In this article, we depict the most recent advances in the water-interceded synthesis of different organic systems by utilizing different surfactant-type catalysts, which are important structural motifs in pharmaceuticals, agrochemicals and functional materials. Further, these methods incorporate green reaction media, mild reaction conditions, and a great yield of product with high purity in a shorter interval of time. Understanding the scope and impact of this area, authors have made efforts to collect and compile the data that indicates many named reactions, such as Friedlander annulation, aldol condensation, the Biginelli reaction, the Mannich reaction, Suzuki–Miyaura cross-coupling, etc., now take place using surfactant-based catalysts.