Background and aim: Environmental stressors, such as heavy metal pollution, can have devastating effects on biological organisms, leading to conditions like liver toxicity. This study explored the therapeutic potential of a novel iron-based metal-organic framework (Fe-MOF) in mitigating cobalt chloride-induced liver toxicity in rats. Methods: Utilizing a solvothermal synthesis method, CWP/MOF was created and characterized using X-ray diffraction, Fourier transform infrared spectroscopy, and transmission electron microscopy. Adult male rats were divided into four groups, each consisting of six rats. The groups were treated as follows: Group 1 (Control): Received 0.5 mL/day of distilled water only. Group 2 (CoCl₂): Treated with cobalt chloride (100 mg/kg/day) dissolved in distilled water. Group 3 (CoCl₂ + Fe-MOFs): Treated with cobalt chloride (100 mg/kg/day) and FeMOFs dissolved in distilled water. Group 4 (CoCl₂ + CWP/MOF): Treated with cobalt chloride (100 mg/kg/day) and CWP/MOF, dissolved in distilled water. All groups received treatment for a duration of two months. Results: there was a one-dimensional structure and multienzyme-like activity. CWP/MOF prevented apoptosis and reduced the histopathological effect and collagen fiber percentage caused by cobalt chloride in the liver. Nanotechnology was used to increase the therapeutic efficiency of camel whey protein against the harmful effects associated with environmental stress-induced liver toxicity by cobalt chloride in rats. Conclusions: This study highlights the potential of CWP/MOF as a groundbreaking therapeutic agent for induced liver toxicity, with promising applications in regenerative medicine and tissue engineering. By harnessing the unique properties of CWP/MOF, researchers may uncover new avenues for treating liver-related disorders and promoting overall health.

In this work, we report a novel fabrication approach for highly porous SnO2 microwires using a semi-closed thermal evaporation system under controlled low-pressure conditions. The unique microstructure of the syn thesized microwires, characterized by nanoscale porosity and high crystallinity, was achieved by tuning the deposition pressure between 0.85 and 1.15 Torr. While demonstrated with SnO2, this approach applies to a wide range of metal oxides, including single, binary, and doped systems. Unlike conventional open or VLS-based deposition methods, this system enables precise morphological control via thermal evaporation under tunable pressure conditions, promoting a vapor-solid (VS) growth mechanism. Structural and morphological charac terizations confirmed that lower pressure enhances defect density and grain boundary formation, which are critical to gas sensing behavior. The SnO2 microwires were integrated into a conductometric gas sensor and evaluated for NO2 detection. The optimized sensor exhibited a high response of 2900 % to 2 ppm NO2 at a low operating temperature of 100 ◦C, along with excellent selectivity against interfering gases such as H2, H2S, and CO. The enhanced sensing performance is attributed to the synergistic effects of grain boundary modulation, Schottky barrier formation at the Pt/SnO2 interface, and catalytic activation near the contacts. This study demonstrates the potential of porous SnO2 microwires as a promising material for low-temperature, selective NO2 sensing in environmental monitoring applications

ABSTRACT This study investigates the complex dehydration kinetics of sodium sulfate decahydrate (Na2 SO4 .10H2 O). Analysis of TG/DTG data reveals that the dehydration process proceeds via five complex steps. Using isoconversional methods (FR, FWO, and DAEM), the kinetic parameters (Ea and ln A) of the individual steps were obtained. The Ea − α plots revealed that all deconvoluted processes are driven by a single reaction mechanism identified as a diffusion model (D3 ). A significant linear relationship between ln A and Ea with similar isokinetic temperatures characterized the kinetic compensation effect. Thermodynamic analysis indicates that the entire conversion is an endothermic and non-spontaneous process. 

In this study, we report on the synthesis and photoelectrochemical (PEC) performance of CdS/ZnO nanocomposite (NC) photoanodes annealed at varying temperatures (300, 350, 400, 450 °C). ZnO nanosheets (NSs) were initially deposited using a nanoparticle deposition system, followed by the spin coating deposition of CdS nanoparticles (NPs) and subsequent annealing. The fabricated NCs are environmentally friendly, binder-free, cost-effective, and scalable. Scanning Electron Microscopy of ZnO, CdS, and CdS/ZnO NCs annealed at 400 °C reveals that ZnO NSs are well-coated with CdS NPs, establishing strong interfacial bonding between the two materials. Structural analysis confirms the hexagonal wurtzite structure of ZnO, while the deposited CdS NPs remain amorphous. X-ray photoelectron spectroscopy shows the evolution of strong interfacial interactions between ZnO NSs and CdS NPs in the hybrid NCs. Optical studies reveal that the CdS-ZnO NCs exhibit stable band gaps (~ 3.21–3.23 eV), and the photoresponse current is significantly improved compared to pure ZnO and CdS photoanodes. The optimized CdS-ZnO NC photoanode (400 °C) shows the highest photocurrent of 2.44 mA ­cm–2 at − 0.14 V vs Hg/HgO and the highest current conversion efficiency of 1.58% at − 0.4 V vs Hg/HgO, demonstrating efficient solar water splitting performance. Comprehensive PEC analyses (EIS, OCP, Mott–Schottky) confirm that performance enhancement stems from improved charge separation and faster interfacial charge transfer with increasing annealing temperature.

Abstract—In the present work, the structural, electronic, and optical properties of the compound
have been studied. We carried out the plane-wave pseudo-potential approach within the framework of
the first principles of density functional theory (DFT) implemented with the Cambridge serial total energy
package (CASTEP) code. The electronic band structure reveals the metallic nature of the compound. The
computed geometrically optimized structure of the unit cell parameters was found to be in good agreement with the experimental monoclinic crystal structure data of the compound. For the first time, we have investigated the optical properties of since no other experimental or theoretical studies on the
optical properties and dielectric functions of have been reported yet. The reflectivity spectrum
shows that the reflectivity is high in the visible-ultraviolet region up to , indicating promise as a
good solar energy storage material.
Keywords: sodium sulfate decahydrate, electronic structure, first principle calculations, density functional theory

Abstract—Bentazon is a cyclosulfonamide herbicide widely used in agriculture, with increasing reports of its persistence and leaching into groundwater. Despite its environmental relevance, a comprehensive quantum chemical analysis of bentazon at an advanced DFT level remains unexplored. In this study, we apply the CAM-B3LYP/6-311++G(d, p) level of theory to investigate the optimized geometry, vibrational spectra, and electronic structure of bentazon. The calculated vibrational frequencies are scaled and compared with experimental FT-IR data; they are assigned by potential energy distribution (PED) analysis. Reactivity descriptors based on frontier molecular orbitals (HOMO–LUMO gap of 7.686 eV) reveal the molecule’s chemical stability and low polarizability, consistent with its environmental persistence. Importantly, electrostatic potential (ESP) surface analysis identifies distinct electrophilic and nucleophilic sites, offering new insights into its interaction potential with. This study represents the first comprehensive application of conceptual DFT, including natural bond orbital (NBO), atoms-in-molecules (AIM), reduced density gradient (RDG), electron localization function (ELF) analysis, and mulliken charge distribution of bentazon. These findings provide
a predictive framework for understanding bentazon’s environmental behavior, reactivity, and potential
for molecular recognition, offering valuable information for its regulation, detection, and remediation. This study provides a detailed quantum-level understanding of bentazon, which can contribute to modeling its environmental fate and designing safer agrochemical alternatives.
Keywords: bentazon, vibrational analysis, natural bond analysis, reactivity descriptors, molecular electrostatic potential

Phosphatidylinositol 5-phosphate (PI(5)P) plays a crucial role in cellular signaling, cell proliferation, the DNA damage repair response, and gene transcription. However, the underlying mechanism of PI(5)P function in these cellular pathways is poorly understood. This lack of understanding results at least in part, from the dearth of available chemical tools to enable the investigation of PI(5)P interaction with target proteins in the corresponding biological systems. Here, we report the design and synthesis of a novel phosphatidylinositol 5-phosphate-based photoaffinity probe. The probe bound and photo-crosslinked to purified, recombinant hUHRF1 and TAF1 proteins that are known PI(5)P-interacting factors. Copper-catalyzed azide-alkyne cycloaddition (CuAAC) click chemistry with an azide-functionalized TAMRA dye allowed visualization of these proteins. We further show that the PI(5)P photoaffinity probe was functional in complex cell lysate by demonstrating protein crosslinking and fluorescent visualization with a TAMRA-azide. The data presented here validate the novel photoaffinity probe as a molecular tool for analyzing interactions and mapping the PI(5)P interactome.

In this study, a zeolitic imidazolate framework (ZIF-8) loaded with molybdenum disulfide (MoS2) was prepared via a hydrothermal method. The as-prepared MoS2/ZIF-8 composite displayed a mesoporous structure with a BET surface area of 19.13 m2 g−1 and a mean pore diameter of 9.33 nm. The as-prepared ZIF-8 and MoS2/ZIF-8 composite were utilized as adsorbents for cationic dye from aqueous solution, and methylene blue (MB) dye was used as a pollutant model. The effects of pH, contact time, initial dye concentrations, adsorbent doses, and temperature on the adsorption efficiency were investigated. The adsorption study confirmed that the MoS2/ZIF-8 composite displayed higher adsorption capacity toward MB dye than that achieved with pristine ZIF-8. Moreover, the adsorption of MB dye onto ZIF-8 and the MoS2/ZIF-8 composite is an endothermic process. The adsorption kinetics confirmed that the …

The chemical reaction of 7-acetyl-6-hydroxy-3-mercapto-1,6-dimethyl-8-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile withN-(naphthalene-1-yl)-2-chloroacetamide in ethanol in the presence ofanhydrous sodium acetate results in the synthesis of a5,6,7,8-tetrahydroisoquinoline derivative with name7-Acetyl-4-cyano-1,6-dimethyl-6-hydroxy-8-phenyl-3-[N-(naphthalen-1-yl)carbamoylmethylthio]-5,6,7,8-tetrahydroisoquinoline (ACCT). Thesynthesized compound is characterized by FT-IR, 1 H, and 13 C NMRspectroscopy. Furthermore, the crystal structure is verified by single crystalX-ray diffraction (XRD), which shows that the molecular configuration ofACCT is stabilized by N─H … N bonding. Infinite C(11) molecular chains areformed by O─H … O bonding that runs along the b-axis, and consecutivechains are further interlinked by C─H … O bonding. Hirshfeld surfaceanalysis reveals the role of intermolecular interaction in crystal packing, whereH … H and C—H … O interactions have notable percentage contributions.Dispersioninteractions provides the dominant stabilization forsupramolecular assembly, followed in significance by electrostaticinteractions. Electronic structure calculations and aromaticity analysis revealthe reactivity of the synthesized compound at the M062x/def2tzvp method.With the help of DFT simulations, the crucial role of van der Waals forces andcharge transfer in modifying optical and non-linear optical (NLO) propertieshas been underscored. Ab initio molecular dynamics study reveals thethermodynamic and kinetic behavior at room temperature.