20 The growing demand for medicinal plants in herbal medicine highlights their 21 therapeutic value, yet heavy metal contamination, such as cobalt (Co), poses 22 potential health risks. Cobalt's dual role as an essential micronutrient and a 23 toxic pollutant necessitates a more profound understanding of its impact on 24 medicinal plants like Adhatoda vasica. We investigated how varying Co 25 concentrations affect A. vasica shoot growth, leaf anatomy, antioxidant 26 enzyme activity, and secondary metabolite profiles. Additionally, molecular 27 docking was performed to assess the interaction of the metabolites with the 28 skin cancer-related protein anti-ssDNA antigen-binding fragment (PDB code: 29 1P7K). Low Co concentrations (50 µM) enhanced shoot dry weight by 41.45%, 30 while higher levels (100-1000 µM) reduced it by up to 66.86%. Cobalt 31 exposure increased hydrogen peroxide (H2O2) and …

Groundwater in Wadi Ranyah, the main water source for local communities, was analyzed using 77 samples to evaluate physicochemical properties, major ions, and heavy metal concentrations. While most parameters met World Health Organization (WHO) standards, levels of arsenic, lead, cadmium, chromium, and nickel exceeded permissible limits. Hydrochemical analyses were conducted using Piper and Durov diagrams, alongside health risk assessments based on statistical ratios established by the United States Environmental Protection Agency (US EPA). The analysis identified two dominant water types (SO₄·Cl–Ca·Mg and HCO₃–Ca·Mg), influenced by ion exchange, evaporite dissolution, and silicate weathering. Health risk assessment, based on US EPA models, revealed significant non-carcinogenic and carcinogenic risks, particularly for children. Oral ingestion accounted for the majority of exposure

Root-knot nematodes (Meloidogyne spp.) are a major threat to pomegranate cultivation. Nanoparticles (NPs) present a possible substitute nematicide that lessens dependency on potentially dangerous chemical nematicides. This study assessed the efficacy of copper oxide (CuO) and iron oxide (Fe2O3) NPs to promote pomegranate (Punica granatum L. cultivar Hegazy) growth and provide protection against the root-knot nematode (Meloidogyne javanica). The application of the NPs as copper oxide (CuO) and iron oxide (Fe2O3) involved both drenching and spraying using 50 mg/L on one-year-old pomegranate (Punica granatum cultivar Hegazy) seedlings, nematode-infected with (Meloidogyne javanica). By assessing how CuO and Fe2O3 NPs affect nematode and pomegranate growth, and some biochemical traits. Treatments with NPs successfully reduced the number of pomegranate root egg masses, galls, and juvenile nematodes in soil. NP treatments exhibited increased side branching, leaf area, levels of photosynthetic pigments (chlorophyll a, b, and carotenoids), total antioxidants, thiol compounds [glutathione (GSH), non-protein thiols (NPTs), protein thiols (PTs)], and flavonoids. However, NP treatments reduced the accumulation of malondialdehyde (MDA) and proline, stress markers, in pomegranate plants infected with nematodes. NP treatments did not affect the production of phenolic compounds in pomegranates. These results indicate that the NP effect partially depends on the increased production of photosynthetic pigments, thiol compounds, and flavonoids. These results elucidate how nanoparticles control nematode infection

o find new potential tyrosinase inhibitors, a diverse range of 2-arylchromone-4-thione derivatives (2a–2p) were designed and synthesized by employing a multistep strategy, and the newly synthesized compounds, for the first time, were screened in vitro for their tyrosinase inhibitory activity. In this context, the newly synthesized compounds (2a–2p) were characterized using a combination of several spectroscopic techniques including Fourier transform infrared, UV–vis, ¹H NMR, and ¹³C NMR spectroscopies and electron ionization–mass spectrometry. All the target compounds were potent against tyrosinase as compared to the standard inhibitor kojic acid (half-maximal inhibitory concentration (IC₅₀) = 12.6 ± 0.6 μM). The compounds (2a–2p) produced IC₅₀ values in the range from 1.12 ± 0.04 to 5.68 ± 0.13 μM. Among the synthesized 4-thioflavones and 4-thioflavonols, the compound 2n exhibited excellent tyrosinase inhibitory activity with the lowest IC₅₀ of 1.12 ± 0.04 μM that could be recommended as potential lead candidates to cure tyrosinase-mediated hyperpigmentation in the future. A kinetic study of compound 2n revealed that compound 2n inhibited tyrosinase in a competitive mode. Furthermore, the nontoxic performance of the most beneficial compounds ranging from 1 to 25 g/mL was determined using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide test method for A375 human melanoma cells for the highly efficient target compounds (2m, 2n, 2o, and 2p). Moreover, a molecular modeling study was performed against tyrosinase enzyme (2Y9X) to check the binding interactions of the synthesized compounds (2a–2p) against the target protein. Furthermore, quantitative structure-activity relationship studies were conducted based on an antityrosinase assay. The value of the correlation coefficient (R²) 0.9997 shows that there was a good correlation between (2a–2p) structures and selected properties. The geometry optimization of all complexes was performed by using Gaussian 09. Additionally, a drug-likeness research was used to establish the potent analogues’ positive action as a new antityrosinase agent (2n, 2o, and 2p).

Functionalized oxindoles and pyrrolizidines form the central structural framework for numerous natural products with extensive biological and pharmacological applications. The requirement for high regio- and stereoselectivity is the main obstacle in the synthesis of such five-membered heterocycles. Multicomponent cycloaddition reactions often provide an efficient and straightforward approach for the preparation of specific regio- and stereoisomers. In this
article, the regio- and stereochemistry of the polar [3 + 2]-cycloaddition (32CA) reaction of
azomethine ylides prepared by the reaction of isatin derivatives and L-proline with a series of
(E)-3-(2-oxo-2-(pyren-1-yl)ethylidene)indolin-2-ones was investigated by experimental and theoretical methods. Among the isatin and (E)-3-(2-oxo-2-(pyren-1-yl)ethylidene)indolin-2-one
derivatives, a remarkable inversion of regioselectivity was observed in the 32CA reaction of
azomethine ylide generated by the reaction of L-proline and 5-chloroisatin or N-methyl-5-
chloroisatin with (E)-5-chloro-3-(2-oxo-2-(pyren-1-yl)ethylidene)indolin-2-one. The regio- and
stereochemical assignment of the structures of the cycloaddition products was determined by
one- and two-dimensional (1D&2D) homonuclear and heteronuclear correlation nuclear magnetic resonance spectroscopy. The molecular mechanism as well as the regio- and stereoselectivity of the cycloaddition were investigated by means of global and local reactivity indices and a density functional theory (DFT) and explained in detail on the basis of the transition state stabilities of the reactants.

The increasing presence of pharmaceutical contaminants, particularly daclatasvir (DCV) in wastewaters poses significant environmental and health concerns. This study explores synthesis and application of a PEG6000@AlBDC nanocomposite as an effective adsorbent for DCV abatement from aqueous solutions. The nanocomposite was prepared by integrating polyethylene glycol (PEG6000) with aluminum-based benzene dicarboxylate MOF (Al-BDC). Comprehensive characterization of the compounds was conducted employing various techniques, including Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). The adsorption experiments assessed the impact of contact time, pH, adsorbent dosage, and initial DCV concentration on the removal efficiency. The results highlight that the PEG6000@Al-BDC nanocomposite exhibited a high adsorption capacity for DCV, achieving optimal removal of 93.9 % at pH 6.5, as compared to 38.0 % DCV removal using the un-modified MOF. Adsorption kinetics followed a pseudo-second-order model, whilst equilibrium data were aligned well with Langmuir isotherm, indicating monolayer adsorption. Thermodynamic studies suggested that the adsorption process was spontaneous and exothermic. The findings demonstrate that PEG6000@Al-BDC is a promising adsorbent for DCV removal, showcasing a potential solution for the mitigation of pharmaceutical pollutants in wastewater treatment systems.

Zinc oxide nanoparticles (ZnO NPs) were sustainably synthesized using Capparis decidua stem extract as a green capping and stabilizing agent, and their photocatalytic efficiency toward Rhodamine 6G (Rh 6G) degradation was evaluated. Three extract concentrations (2, 5, and 10 g per 200 mL) were employed to optimize synthesis and performance. The ZnO NPs were characterized by XRD, FTIR, TEM, UV-Vis spectroscopy, and N₂ adsorption–desorption analysis. Pristine ZnO NPs were obtained using low plant extract concentrations. TEM revealed spherical nanoparticles whose average diameter decreased from 40 to 24 nm with increasing extract concentration. The sample synthesized with the highest extract concentration exhibited the largest surface area (32.9 m² g⁻¹) and pore volume (0.039 cm³ g⁻¹), indicating the impact of extract concentration on the material texture. The optical band gap narrowed from 3.67 eV to 3.02 eV while increasing the extract concentration from 2 g/200 mL (sample 2Z) to 10 g/200 mL (sample 10Z). Under sunlight irradiation, the 2Z sample achieved the highest photocatalytic degradation efficiency (for Rh 6G) of ∼96% at the optimum pH of 6.5 (in 75 min), compared to ∼88.4% for the sample 10Z. The degradation followed first-order kinetics with a rate constant of 0.018 min⁻¹. Superoxide radicals (O₂˙⁻) were the primary reactive species governing the photocatalytic degradation of Rh 6G, with ˙OH and (h⁺) contributing secondary roles in the overall oxidation. These findings demonstrate the potential of Capparis decidua extract for the eco-friendly synthesis of efficient ZnO photocatalysts for environmental remediation.

The growing demand for clean energy has intensified research into sustainable hydrogen production methods. This study explores a potentially less hazardous catalytic approach for hydrogen generation through sodium borohydride (NaBH₄) hydrolysis, utilizing a copper-aspartate metal-organic framework (Cu-Asp MOF) as a green and efficient catalyst. It was heat-treated at 500 °C for 1 h to produce CuO NPs. The synthesized Cu-Asp MOF and CuO NPs were characterized using XRD, FTIR, EDX, XPS and SEM to confirm their structural and morphological properties. The catalytic performance of Cu-Asp MOF and CuO NPs was evaluated under varying conditions, including temperature, NaBH₄ concentration, and catalyst loading, demonstrating high hydrogen production rates with excellent recyclability while utilizing Cu-Asp MOF. Kinetics analysis revealed a low activation energy of 42.7 kJ/mol, indicating the MOF's superior catalytic activity. The Cu-Asp MOF catalyzes the reaction ∼3.5 times faster than CuO NPs under the same experimental conditions. Thermodynamic results indicated the spontaneous and entropy driven nature for the catalytic reaction. Furthermore, the use of a biocompatible ligand (aspartate) enhances the environmental sustainability of the process. This work presents a promising, cost-effective, and green alternative to conventional noble metal-based catalysts, contributing to the advancement of clean hydrogen energy technologies.

Dehydrogenation of alcohols to ketones and hydrogen offers a green and sustainable procedure for H₂ production as a best alternative for clean fuel. Researchers are challenged today to develop catalysts that possess remarkable conversion as well as high selectivity towards alcohol dehydration. CuO modified, structured cerias were successfully synthesized by carbonization of Ce-UiO-66 at 400–600 °C. The synthesized materials were characterized by XRD, XPS, TGA, TEM, EDX and FTIR spectroscopy. Surface texture also was investigated through N₂ adsorption at (77 ^°K). The catalysts were posted towards the dehydrogenation of 2-propanol in the gas phase. The catalytic performance could easily be tested by varying the Cu/Ce ratio, calcination temperature, and catalyst loading. The optimized CuO/CeO₂ ratio exhibited > 99% conversion and 100% selectivity for both H₂ and acetone at 225 °C. The characterization results showed that the synergetic effect between Cu²⁺ and ceria existed and thus strengthening H₂ production, meanwhile following acetone generation. Kinetic analysis was studied isothermally at different temperatures which reveals that the dehydrogenation of 2-propanol behaves as first-order kinetics. The data was extended to determine the rate constant and the apparent activation energy (E_a), which was found to be 19.48 kJ/mole. We proceeded further to compute ∆H, ∆S, and ∆G values. The values that confirm the thermodynamic spontaneity of the dehydrogenation pathway. The surface synergisms caused by the CuO modification, which increase the ratio of Ce(III) to Ce(IV) atoms and cause the creation of Cu(I) and Cu(II) sites, are responsible for the catalytic performance of the produced catalysts. Consequently, the CuO modification promotes the dehydrogenation pathway which needs these basic sites. Therefore, it is reasonable to propose that the most likely cause of the observed CuO enhancement of 2-propanol dehydrogenation is the improved production of Ce(III)/Ce(IV) and Cu(I)/Cu(II) redox couples. A Langmuir Hinshelwood mechanism was suggested, which included adsorbed IPA, H₂, acetone, and isopropoxide into the site balance and supposed that the removal of the initial atom was the step that determined the reaction rate.

Herein, eight novel benzimidazoles grafted pyrazole-containing pyrene or fluorene moiety were synthesized. The substituent and solvent effects on the photophysical properties of the compounds have been analyzed based on their absorption and fluorescence bands in various solvents and the analysis was further supplemented by computational studies. The synthesized benzimidazoles derivatives show blue state emission in the range of 409–536 nm. Experimental absorption and emission wavelengths measured for all the synthesized benzimidazoles derivatives are in good agreement with those predicted using the Time-Dependent Density Functional Theory. The emission maxima of the methyl substituted compounds 6a-d increased compared to that of the unsubstituted derivatives 5a-d. However, upon methyl substitution the system undergoes fluorescence quenching. Computational analyses are used to understand the mechanism behind the fluorescence quenching and are helpful in explaining the electronic behavior of the chemical species reported here.