Mohammad Shahidul Islam

The study reveals how substituent changes (Cl → –COOCH ₃ → –COOH) influence the structure, reactivity, and ALS inhibition of triazolopyrimidine herbicides, providing insights for rational herbicide design.

The development of multifunctional materials that combine sensing and luminous capabilities is of great interest in advanced chemical and optical applications. We present the design of a Schiff base-based dual-functional system for the selective detection of Cu(II) and the formation of a red-emissive Zn(II) luminescent complex. The ligand represented as (L) resulted by the reaction of 4-fluoro-2-hydroxybenzaldehyde with diaminomaleonitrile and its copper complex (CuL), zinc compelex (ZnL) and nickel complex (NiL) with chemical formula, [C19H12F2N4O3Cu], [C18H8F2N4O2Ni], and [C19H12F2N4O3Zn] were synthesized and fully characterized. Moreover, crystal structure of the synthesized complexes was determined via single crystal XRD technique which showed that in case of all three complexes, the Schiff base ligand coordinate with metal center in tetradentate fashion. The coordination number for CuL and ZnL is completed by the solvation of a methanol molecule whereas in case of NiL, no methanol solvation appeared with nickel center. The coordination geometry is square pyramidal for CuL and ZnL whereas square planar for NiL. Hirshfeld surface analysis is carried out to exam supramolecular assembly in terms of interatomic interactions. The potential of the free ligand as a selective chemo-sensor is demonstrated by its strong colorimetric response and fluorescence turn-off behavior for Cu(II). In contrast, the ZnL exhibits a distinct red emission upon 365 nm UV excitation, highlighting its potential as a luminescent complex. The density functional theory (DFT) calculations elucidate the electronic structure and structure-property relationships of the complexes.

This study describes the effect of electromagnetic field (EMF) treatment on the chemical and electrical properties of tap water. It also contributes to a better understanding of the influence of this technique on the physicochemical properties of water exposed to different treatment times by an EMF generated by the Aqua 4D. The magnetized water was analyzed, and its physical and chemical properties were evaluated after a 30‐min magnetization cycle via impedance spectroscopy using the electrical and dielectric properties. Increasing the EMF circulation time led to a change in the properties of water. The results showed an increase in pH, electrical conductivity, and certain chemical properties. The optimal change in water properties was obtained with an EMF treatment duration of 5 min. However, the evaluation of the water quality improvement induced by the magnetization process revealed an increase in pH, electrical conductivity, and certain chemical properties. To assess the impact of the magnetization process on water quality, the results were compared with other scientific studies. To reduce treatment costs and increase the long‐term viability of the process, the study's results suggest that water magnetization is an effective treatment technology that reduces energy and material consumption (green technology). The importance of key parameters such as pH, oxidation‐reduction potential (ORP), and dissolved oxygen (DO), water quality monitoring, and treatment are highlighted. In particular, changes in these parameters are related to the electron density in water. Recent research indicates that magnetic effects can significantly affect pH, ORP, and DO levels. Accordingly, this study provides a comprehensive analysis of the unique properties of magnetized water and explores its potential applications as a smart and environmentally friendly solution in the oil industry, particularly as an injection fluid in enhanced oil recovery operations. In addition, the findings may have implications for advances in aquaculture, water quality control, and the treatment of cancers associated with free radical‐induced oxidative stress. By advancing the understanding of magnetized water, this research aims to contribute to innovative applications in various water applications.

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6-Hydroxychromone-derived hydrazones were synthesized and evaluated for their in vitro hCA I–II and AChE inhibitory activities, along with antioxidant properties.

The title compound, N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (Florasulam), a triazolopyrimidine sulfonanilide herbicide, was investigated using experimental and computational techniques. Single-crystal X-ray diffraction revealed a V-shaped geometry stabilized by intramolecular C–F···π interactions and a unique 1D ribbon packing formed through N–H···N, C–H···O, and S = O···π interactions. Hirshfeld surface and energy framework analyses confirmed the nature and strength of intermolecular forces. DFT and TD-DFT calculations provided insights into optimized geometry, vibrational frequencies, and electronic transitions consistent with experimental spectra. The HOMO–LUMO gap indicated high chemical stability, while MEP analysis highlighted reactive sites. Autoxidation susceptibility was assessed through bond dissociation energies. Molecular docking against ALS (Acetolactate Synthase) proteins demonstrated strong binding affinity, supported by molecular dynamics simulations confirming protein–ligand complex stability. This integrative study highlights Florasulam’s potential in herbicide design.