Khalid Mahmood

The cauliflower-like NiS/MOF composite offers abundant redox active sites for efficient charge storage. Moreover, the NiS/MOF//AC device exhibits high energy density, excellent cycling stability, and superior energy storage performance.

Non-fullerene-based organic solar cells (NF-OSCs) have emerged as promising photovoltaic systems owing to their tunable optoelectronic properties and enhanced power conversion efficiencies. Currently, three series of naphthalene-1,5-diamine (NDA)-based compounds(NBT1-NBT4, NBT5-NBT8, and NBT9-NBT12) featuring an A1-π1-A2-π2-A2-π1-A1 configuration were rationally designed through terminal modifications with thiophene linkers, malononitrile (MN)-based and benzothiophene (BT) based acceptor units. Quantum chemical calculations were performed at the MPW1PW91/6-311G(d, p) level to investigate their electronic, optical, and photovoltaic characteristics. Comprehensive analyses, including frontier molecular orbitals (FMOs), global reactivity parameters (GRPs), density of states (DOS), UV-Vis absorption spectra, transition density matrix (TDM), electron-hole distribution, and open-circuit voltage (V_oc), were conducted to evaluate their performance. The incorporation of different electron-withdrawing terminal acceptors effectively reduced the energy gap (2.641-2.323 eV) and broadened the absorption spectra across the visible region (534.484-638.238 nm). Comparable V_oc values were obtained through HOMO_PTB7-LUMO_acceptor estimation, indicating favorable energy-level alignment for charge transfer. Among the designed chromophores, NBT12 exhibited the smallest energy gap (2.323 eV), the highest absorption maximum (λ_max = 638.238 nm), and the most efficient intramolecular charge transfer, leading to efficient optoelectronic characteristics. These findings highlight the potential of NDA-based chromophores, particularly NBT12, as efficient non-fullerene acceptor materials for high-performance organic solar cells.

Thiazolidinones, the saturated analogues of thiazole, are five-membered heterocyclic compounds with sulfur, nitrogen, and a carbonyl group at the fourth carbon. This ring system gives rise to numerous biologically active compounds exhibiting properties such as anticancer, antibacterial, antiviral, antifungal, antidiabetic, antitubercular, and anticonvulsant effects, while maintaining good biocompatibility due to its versatile molecular structure. The unique balance between broad activity and safety stems from the tunable structure of the thiazolidinone framework, which facilitates selective engagement with target biomolecules while minimizing nonspecific cytotoxicity. Owing to their structural versatility and ease of functional modification, they serve as valuable scaffolds in the development of new therapeutic agents. This review illuminates the pathways for synthesis, mechanisms of action against non-communicable diseases, and summarizes the recent advances on therapeutic activities of thiazolidinones to guide the medicinal chemists working on this core in the evolution of clinically active drugs. This study is believed to contribute to the current discussion between many fields working on 4-thiazolidinone, lowering disciplinary barriers and smoothing further advancement towards therapeutic agents

Recent advancements in point-of-care testing devices have been driven by the rising need for non-invasive, real-time, and cost-effective health monitoring. Among these, optical biosensors have shown promise as instruments for detecting significant biomarkers like Uric acid (UA). This study introduces a novel fluorometric method for UA detection using a MXene and Cobalt nano-flakes based nanocomposite system with Rhodamine (Rh) as fluorescent probe (MX/CoNFs/Rh). The fluorescence emission spectra of Rh were significantly quenched in presence of UA which offers excellent sensitivity and selectivity. The chemical composition and morphological structure of synthesized MX/CoNFs were characterized by fourier transform infrared microscopy (FTIR), X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), zeta potential and dynamic light scattering (DLS). The developed sensor exhibited a good linearity between the fluorescence quenching and different concentrations of UA (2-265 μM), with the limit of detection of 1.3 μM. Importantly, the MX/CoNFs/Rh sensor was further utilized to detect spiked UA concentrations in human serum samples with satisfactory recoveries in the range of 99.4-100.2%, indicating MX/CoNFs/Rh could be used as a potential sensor for sensitive estimation of UA even in complex biological environments.

Graphical representation of the OER, supercapacitor performance and CR electrochemical degradation using MOFs.

Six novel azaindole‐ and picolinaldehyde‐based derivatives ( Aza‐1 to Aza‐3 and Nic‐1 to Nic‐3 ) were synthesized through the condensation of salicylaldehyde with corresponding thiosemicarbazones via a base‐free nickel‐catalyzed reflux‐assisted deaminative Suzuki coupling, affording excellent yields. Their electronic, optical, and nonlinear optical (NLO) characteristics were systematically explored using the M06/6‐311G(d,p) functional. The analysis encompassed natural bonding orbitals, frontier molecular orbitals, global reactivity parameters, density of states, UV–visible spectra, and transition density matrix studies. The minimum energy gaps (E_gap) of 4.703 eV for Aza‐1 and 4.414 eV for Nic‐3 indicated enhanced charge‐transfer behavior. Correspondingly, these molecules exhibited the lowest global hardness (2.351 and 2.207 eV) and highest softness (0.213 and 0.227 eV), confirming their higher chemical reactivity. Significant first‐order hyperpolarizabilities (β_total) were observed for Aza‐3 (6.89 × 10 ⁻³ ⁰ esu) and Nic‐3 (2.67 × 10 ⁻² ⁹ esu), while Aza‐3, Nic‐2, and Nic‐3 displayed remarkable second‐order hyperpolarizabilities (γ_total = 8.69 × 10 ⁻³ ⁵, 9.60 × 10 ⁻³ ⁵, and 9.24 × 10 ⁻³ ⁵ esu, respectively), far exceeding that of p‐nitroaniline (7.29 × 10 ⁻³ ⁶ esu). Overall, the findings highlight the synthesized chromophores as promising candidates for high‐performance NLO and optoelectronic applications.

Hole transport materials (HTMs) are crucial in controlling charge dynamics in perovskite solar cells (PSCs), notably in processes such as interfacial charge separation and electron recombination.