In this study, Fe₃O₄/kaolinite and ε-Fe₂O₃/kaolinite nanocomposites were synthesized using apricot kernel extract as a green reductant. The prepared nanocomposites were characterized and evaluated for their adsorption efficiency in removing methylene blue (MB) from aqueous solutions. The synthesis was carried out at 80 °C using iron chloride precursors (FeCl₃·4 H₂O and FeCl₂·6 H₂O) and kaolinite. The nanocomposite physicochemical characterization (X-ray diffraction, scanning electron microscopy, Fourier transform infrared spectroscopy, thermogravimetric analysis and differential scanning calorimetry) confirmed the incorporation of crystalline Fe₃O₄ and ε-Fe₂O₃ structures in the kaolinite matrix (particle sizes from 30 to 70 nm). Adsorption experiments showed that 4 mg of Fe₃O₄/kaolinite and ε-Fe₂O₃/kaolinite removed 90.24

In this study, Mentha piperita essential oil (EO) antidiabetic activity was thoroughly investigated using a multidisciplinary approach. Gas chromatography-mass spectrometry (GC-MS) identified some key bioactive compounds, including pulegone, alpha-terpineol, borneol, linalool acetate, menthone, eucalyptol, and trans-sabinene hydrate. Their relative percentages in the EO (>1 % w/w) were indicative of biological importance. In vitro enzyme inhibitory assays displayed strong inhibitory effects of the EO on the carbohydrate-hydrolyzing enzymes alpha-amylase and alpha-glucosidase and stronger inhibitory action than the standard antidiabetic compound acarbose. In vivo research in diabetic rats induced by alloxan monohydrate reaffirmed the hypoglycemic effect of the EO with the lowering of fasting blood glucose level by 33 % after 14 days of treatment. Molecular docking experiments indicated greater binding affinities of pulegone for alpha-amylase (Delta G = -5.83 kcalmol(-)(1)) and linalool acetate for alpha-glucosidase (Delta G = -6.95 kcalmol(-)(1)) compared to acarbose (Delta G = -4.51 and -6.09 kcalmol(-)(1), respectively). Molecular dynamics simulations also validated the structural stability and optimal interaction dynamics of principal EO components with alpha-amylase and alpha-glucosidase. Eucalyptol and linalool acetate possessed minimum root-mean-square deviation (RMSD) and solvent-accessible surface area (SASA) against alpha-amylase, showing high stability of complex, while alpha-terpineol and eucalyptol exhibited good binding affinity towards alpha-glucosidase. MM-PBSA binding free energy calculations revealed that linalool acetate and eucalyptol were the best inhibitory agents for alpha-amylase (-26.98 and -26.45 kcalmol(-)(1)) and alpha-glucosidase (-20.41 and -20.71 kcalmol(-)(1)), respectively. DFT analysis also yielded more insight into their electronic properties, reactivity, and stability, further establishing their enzyme inhibition activity. These findings introduce M. piperita EO as a natural agent with alpha-amylase and alpha-glucosidase inhibition potential for the management of diabetes and glycemia.

IntroductionThis study aimed to investigate the phytochemical composition and multifunctional therapeutic potential of a hydroethanolic extract of Matricaria chamomilla L. collected from the semi-arid region of Algeria. The research focused on evaluating its antioxidant, antimicrobial, antidiabetic, anti-inflammatory, neuroprotective, and potential anticancer activities.MethodsTotal polyphenol and flavonoid contents were determined using spectrophotometric methods. The phytochemical profile was characterized by Liquid Chromatography–Tandem Mass Spectrometry (LC-MS/MS). Antioxidant activity was assessed using DPPH and galvinoxyl radical scavenging assays. Antimicrobial activity was evaluated against bacterial and fungal strains using inhibition zone measurements. Enzyme inhibitory activities against α-amylase, acetylcholinesterase, and butyrylcholinesterase were investigated in vitro. Anti-inflammatory activity was evaluated through protein denaturation inhibition and carrageenan-induced paw edema assays. Molecular docking studies were performed to assess the interactions of identified compounds with breast cancer targets ERα and HER2.ResultsThe extract contained high levels of total polyphenols (41.9 mg gallic acid equivalent/g extract) and flavonoids (17.1 mg rutin equivalent/g extract). LC-MS/MS analysis identified several bioactive compounds, including caffeic acid, gallocatechin gallate, and apigenin-7-O-glucoside. The extract exhibited moderate antioxidant activity, with IC50 values of 324.4 μg/mL and 22.7 μg/mL for DPPH and galvinoxyl assays, respectively. Strong antimicrobial effects were observed against Staphylococcus aureus (22 mm inhibition zone) and Candida albicans (18 mm inhibition zone). The extract also demonstrated potent inhibitory activities against α-amylase (IC50 = 440.6 μg/mL), acetylcholinesterase (IC50 = 3.11 μg/mL), and butyrylcholinesterase (IC50 = 28.7 μg/mL), surpassing standard inhibitors. In vitro anti-inflammatory activity reached 98.4% inhibition of protein denaturation at 2000 μg/mL, while in vivo edema inhibition reached 38.81%. Molecular docking revealed strong binding affinities of α-tocopherol and apigenin-7-O-glucoside toward ERα and HER2 receptors.DiscussionThe findings demonstrate that Matricaria chamomilla L. possesses significant pharmacological potential due to its rich phytochemical composition and broad-spectrum biological activities. The observed antioxidant, antimicrobial, enzyme inhibitory, anti-inflammatory, and molecular docking results suggest that this plant could serve as a promising natural source for the development of therapeutic agents targeting diabetes, neurodegenerative disorders, microbial infections, and breast cancer. Further pharmacological and clinical investigations are warranted to validate these bioactivities and support future drug development applications.

Despite the growing interest in utilizing poultry processing by-products as sustainable sources of gelatine, the influence of extraction conditions on gelatine quality, structure, and functionality remains insufficiently understood. This study investigated the effect of acetic acid concentration on the yield, molecular characteristics, and structural-thermal properties of gelatin extracted from chicken feet and heads. Gelatine was extracted using 3 v/v% (CBBG3) and 5 v/v% (CBBG5) acetic acid. CBBG5 produced a higher extraction yield (13.2%) than CBBG3 (10.49%), indicating enhanced collagen solubilization at higher acid concentration. However, CBBG5 also showed higher ash content (4.45 w/w% vs. 2.40 w/w%) and more pronounced yellow-green coloration. Structural characterization using FTIR, SEM, SDS-PAGE, and DSC revealed notable differences between the samples. FTIR spectra showed characteristic gelatine amide bands, with CBBG3 exhibiting stronger amide I and II signals, suggesting better preservation of molecular structure. SEM analysis revealed a smoother, more compact morphology for CBBG3, whereas CBBG5 displayed a rougher and more irregular surface. SDS-PAGE showed higher molecular weights of the α1 and α2 chains in CBBG3 (156 and 130 kDa, respectively) than in CBBG5 (137.1 and 82.6 kDa), indicating lower molecular degradation. DSC further confirmed the superior thermal stability of CBBG3, which exhibited a higher glass transition temperature (26.97 °C) and transition enthalpy (2.688 J g-1). Although increasing acetic acid concentration improved gelatin yield, extraction with 3 v/v% acetic acid resulted in superior molecular organization, structural integrity, and thermal stability. These findings highlight the importance of optimizing extraction conditions to balance yield and quality and demonstrate the potential of chicken by-products as a sustainable source of high-quality gelatine for food, pharmaceutical, and biomedical applications.

Peanut allergy is a major health issue, and detailed molecular insights are essential to understand allergenicity. In this study, an integrated immunoproteomic and in silico docking workflow was applied to characterize allergens from six Algerian peanut varieties. Protein profiling by 2-DE (pI 4.8-10.1, 9-68 kDa), followed by immunoblotting, revealed strong IgE binding to low-molecular-weight proteins (20-25 kDa). Sixteen distinct protein spots were excised and analyzed by LC-MS/MS, identifying key allergens including Ara h 1, Ara h 2, Ara h 3, and Ara h 6, with peptide coverages ranging from 34% (Ara h 1) to 70% (Ara h 2). Four highly reactive allergens were prioritized, and nine were further investigated through molecular docking against the human IgE receptor. Computational analyses uncovered novel epitope interactions, with conarachin (Q647H1) emerging as the strongest binder (cluster score -625.4), showing stable contacts at epitopes 26-50, 112-151, and 185-491. Chain-specific docking highlighted high affinity toward both IgE heavy and light chains, underlining its structural adaptability.

This study evaluates bioactive phytochemicals from Algerian medicinal plants as potential phosphodiesterase-5 (PDE5) inhibitors for the treatment of erectile dysfunction (ED) using an integrated in silico approach. A total of 76 compounds from 48 plant species were screened for drug-likeness using SwissADME. Overall, 72% of the compounds complied with Lipinski's Rule of Five, indicating favorable oral bioavailability, while toxicity prediction identified 29 non-toxic candidates. Molecular docking was validated by redocking the co-crystallized PDE5 ligand (RMSD = 0.264 Å). Ellagic acid (-9.4 kcal·mol-1), rosmarinic acid (-9.2 kcal·mol-1), salvinorin A (-9.2 kcal·mol-1), and catechin (-9.0 kcal·mol-1) exhibited the strongest binding affinities. Molecular dynamics simulations revealed stable hydrogen-bond interactions for rosmarinic acid, while salvinorin A showed compact and low-fluctuation behavior. MM-GBSA analysis confirmed favorable binding free energies for salvinorin A (-26.7 kcal·mol-1) and rosmarinic acid (-23.6 kcal·mol-1). A QSAR model based on docking-derived pKd values and molecular descriptors showed strong predictive performance using Random Forest regression (R 2 train = 0.91; R 2 CV = 0.87), identifying LogP, molecular weight, and TPSA as key determinants of PDE5 inhibition. Overall, this study highlights catechin and related phytochemicals as promising natural PDE5 inhibitors, supporting their further preclinical evaluation as safer and affordable ED therapies.

BackgroundPoly (1,4-bis(methacryloyl)piperazine) (poly (NBMP)) is a piperazine-based polymer with potential biomedical applications. Green clay catalysts, maghnite-H+ and maghnite-Na+; offer an eco-friendly approach for monomer (NBMP) and polymer (poly (NBMP)) synthesis with improved yields and low toxicity.AimTo synthesize poly (NBMP) via green catalysis, evaluate its structural properties, and investigate its antimicrobial potential along with drug-likeness and molecular interaction profiles of its monomer.MethodThe monomer and polymer were synthesized using varying amounts of maghnite-H+ and maghnite-Na+ at controlled temperatures. Structural characterization was performed using FTIR, 1H and 13C NMR, SEM, and DSC. Antibacterial activity was tested against Gram-positive (S. aureus, L. monocytogenes) and Gram-negative bacteria (E. coli, P. aeruginosa, K. pneumoniae). Drug-likeness, toxicity predictions, molecular docking, and molecular dynamics (MD) simulations were conducted to assess binding affinities and complex stability of NBMP with the target bacterial proteins.ResultsMonomer yield increased from 40% to 72% with 0–10 wt% maghnite-H+, while polymer yield rose from 5% to 70% using 0–15 wt% catalyst. Poly (NBMP) exhibited significant antibacterial activity, with inhibition zones of 32 μg/mL against S. aureus and 16 μg/mL against E. coli. Docking studies revealed moderate binding to K. pneumoniae FabG (PDB ID: 6T77, −6.1 kcal/mol). MD simulations confirmed stable complexes with RMSD values of 0.43 nm for E. coli DNA gyrase (PDB ID: 1KZN) and 0.19 nm for K. pneumoniae FabG, along with low RMSF and compact radius of gyration (0.04–0.07 nm).DiscussionThe findings demonstrate that NBMP forms stable interactions with bacterial proteins, supporting its broad-spectrum antimicrobial activity. The eco-friendly synthesis, favorable drug-likeness, and structural stability highlight NBMP as a promising candidate for future biomedical applications. Further in vitro and in vivo studies are recommended to validate its therapeutic potential.

A new series of 4-chloro-1,8-naphthalimide derivatives has been designed, synthesized and characterized. The synthesized compounds 2a-2f incorporate auxiliary ligands such as furan ring 2a, thiophene ring 2b, naphthaldehyde 2c, and benzaldehyde derivatives 2d-2f. These compounds 2a-2f were further evaluated for their potential as DNA-binding agents using absorption and fluorescence spectroscopy. For quantitative analysis, the binding constant (Kb), Stern-Volmer constants (Ksv) and bimolecular quenching rate constant (Kq) were evaluated. The results of the studies ascertained that 2c and 2f exhibit good binding affinity towards ct-DNA, as determined by the hyperchromism, which could be associated with non-intercalative external binding (including groove-binding) mode. To ascertain the mode of interaction, molecular docking of compounds 2a-2f with dsDNA was studied using Glide (Schrodinger, LLC, NY, USA). Moreover, these compounds 2a-2f were tested against the human cancer cell lines namely MCF-7, HepG2 and A549 cells. The cytotoxicity results exhibited significantly lower IC50 values for 2c and 2f against the cancer cell lines than the other compounds.

Introduction:This study reports the synthesis, structural characterization, and antibacterial evaluation of 5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine (NPTA), a commercially available thiadiazole derivative with potential antimicrobial activity. Methods:NPTA was synthesized through a green, one-pot condensation reaction between thiosemicarbazide and 3-nitrobenzoic acid in absolute ethanol, affording a pale-yellow crystalline solid with a melting point of 110 °C-112 °C. The compound was characterized using Fourier-transform infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopy, confirming its structure. In vitro antibacterial assays, in silico ADMET and toxicity profiling, molecular docking, frontier molecular orbital (FMO) analysis, and 200 ns molecular dynamics simulations were performed. Results:In vitro antibacterial assays revealed significant activity against Klebsiella pneumoniae ATCC 13883, Acinetobacter baumannii, and Listeria monocytogenes ATCC 19114, with growth inhibition zones of 25.63 ± 0.17 mm, 29.09 ± 1.31 mm, and 26.65 ± 0.19 mm, respectively, and minimum inhibitory concentrations (MICs) ranging from 50 to 100 μg/mL. In silico ADMET and toxicity profiling predicted favourable drug-likeness, absorption, and safety. Molecular docking indicated strong binding affinities (-6.2 to -7.0 kcal/mol) with key bacterial targets, i.e., DNA gyrase subunit B (PDB: 1KZN) and penicillin-binding protein 4 (PDB: 3HUN). Frontier molecular orbital (FMO) analysis revealed a HOMO-LUMO energy gap of 3.79 eV, suggesting high electronic stability and reactivity. Furthermore, 200 ns molecular dynamics simulations confirmed the temporal stability of NPTA-protein complexes, particularly with DNA gyrase subunit B. Discussion:These results demonstrate the promising antibacterial potential of NPTA and support its further development as a multifunctional thiadiazole-based antimicrobial candidate.

New morpholine-appended 1-8-naphthalimide derivatives (3a-3e) have been designed and prepared. The core of the 1,8-naphthalimide-derived aldimine was used to attach the morpholine moiety, given its pharmaceutical importance. These compounds (3a-3e) were well characterized using various spectroscopic techniques, namely FTIR, 1H NMR, and 13C NMR. Furthermore, compounds (3a-3e) were explored for their binding affinity towards ct DNA using absorption and fluorescence spectroscopy. The DNA binding affinity was evaluated quantitatively by the help of Kb ‘binding constant’, Ksv ‘Stern-Volmer constant and Kq ‘quenching rate constant’. The results are suggestive of reversible binding via a non-intercalative mode (groove binding). Also, the interactions of compounds (3a-3e) were explored using docking and molecular simulation studies, including global structural stability (RMSD), local flexibility and residue fluctuations (RMSF), compactness and structural Integrity (radius of gyration), and solvent accessibility analysis (SASA) with DNA. Moreover, the cytotoxic potential of compounds 3a-3e was evaluated against human cancer cell lines, which showed moderate to good activity, and was compared with the standard drug cisplatin.

BackgroundMonkeypox (Mpox) is a re-emerging zoonotic disease with limited therapeutic options, necessitating the exploration of novel antiviral agents. Curcuma longa (turmeric) is a widely used medicinal plant known for its antioxidant and anti-inflammatory properties, primarily attributed to its bioactive curcuminoids.AimThis study aimed to evaluate the therapeutic potential of C. longa aqueous extract (CAE) against monkeypox through phytochemical characterization, biological assays, and computational analyses.MethodologyPhytochemical analysis, including HPLC, identified key Curcumin, Bisdemethoxycurcumin, Demethoxycurcumin, Tetrahydrocurcumin, Curcuminol, and Ar-curcumene. The DPPH assay and total antioxidant capacity (TAC) were employed to assess antioxidant activity. Anti-inflammatory effects were determined by measuring the inhibition of heat-induced protein denaturation. Molecular docking and molecular dynamics (MD) simulations were performed to evaluate the interactions between curcuminoids and monkeypox virus proteins.ResultsThe aqueous extract of C. longa was prepared via decoction, yielding 7.80% ± 0.81% extract with curcumin as the predominant compound (36.33%). The CAE exhibited strong antioxidant activity with a TAC of 36.55 ± 0.01 µg GAE/g d.w., an IC50 of 0.77 ± 0.04 mg/mL in the DPPH assay, andan EC50 of FRAP of 3.46 ± 0.11 mg/mL. Anti-inflammatory analysis showed 78.88 ± 0.53%inhibition for egg albumin and 90.51 ± 0.29%for BSA. Molecular docking identified demethoxycurcumin (DMC) as the most potent compound, with binding affinities of −8.42 kcal/mol (4QVO), −7.61 kcal/mol (8CEQ), and −7.88 kcal/mol (8QRV). MD simulations confirmed the stability of DMC complexes, with the 4QVO-DMC interaction being the most stable, showing RMSD fluctuations within a range of 0.2–0.6 nm, with an average fluctuation of 0.4 nm, and consistent compactness with Rg values remaining between 1.8 and 2.0 nm, with a fluctuation of only 0.2 nm over 100 ns.DiscussionThe results demonstrate the multifunctional therapeutic potential of C. longa, driven by its potent antioxidant and anti-inflammatory properties. The computational findings suggest that curcuminoids, particularly demethoxycurcumin, could serve as promising antiviral agents against monkeypox. These findings pave the way for further preclinical studies to validate the antiviral efficacy of C. longa bioactives and their potential applications in combating viral infections.

ABSTRACT This study explores the therapeutic potential of Calligonum comosum extract in alleviating pregabalin (PGB)‐induced toxicity in male Wistar rats, with a focus on hepatic, renal, and reproductive health. PGB exposure led to significant biochemical disturbances, including elevated liver enzymes (AST, ALT, LDH), impaired kidney markers (urea, creatinine, uric acid), reduced reproductive hormones (testosterone, FSH, LH), and notable histopathological damage in liver, kidney, and testicular tissues. Treatment with C. comosum extract effectively restored liver and kidney functions and partially corrected hormonal imbalances. The extract reduced AST, ALT, and LDH levels by 18.5%, 25.2%, and 13.7%, respectively. Similarly, urea, creatinine, and uric acid decreased by 30.3%, 38.0%, and 15.2%. Testosterone and LH levels improved, suggesting enhanced reproductive recovery. Histological analyses confirmed reduced inflammation, necrosis, and congestion in treated tissues. Supporting these findings, in silico docking studies showed strong interactions between C. comosum phytochemicals and molecular targets linked to toxicity pathways. Quercetin demonstrated the strongest binding (−8.1 to −9.2 kcal/mol), particularly with LXR‐α and GLUT‐1. Rutin showed the highest affinity for GnRH1‐R (−10.4 kcal/mol), while caffeic acid, gallic acid, and chlorogenic acid also exhibited strong interactions, especially with β2 AR (−8.9 kcal/mol). In contrast, PGB displayed weaker binding (−6.0 kcal/mol). These results highlight the protective effects of C. comosum and support its potential as a natural remedy for mitigating PGB‐induced hepatorenal and reproductive toxicity.

This study focuses on the design, synthesis and evaluation of antibacterial and antioxidant properties of 1,4disubstituted 1,2,3-triazole-linked thiosemicarbazone derivatives.The synthesis involved a multistep process, beginning with the preparation of alkyne derivatives from three benzaldehyde derivatives (4-hydroxybenzaldehyde, vanillin, and salicylaldehyde) and using flower-like Cu2O microbeads as a catalyst. The synthesized compounds were evaluated for antibacterial activity against four bacterial strains: Escherichia coli (E. coli), Pseudomonas aeruginosa (P. aeruginosa), Bacillus subtilis (B. subtilis), and Staphylococcus aureus (S. aureus), at concentrations ranging from 10 to 80 mg/mL, using ciprofloxacin (CIP) as a reference. Among the derivatives, Compound 3c, (Z)-2-(4-((1-benzyl-1H-1,2,3-triazol-4-yl)methoxy)-3-methoxybenzylidene)hydrazine-1-carbothioamide,exhibited the most potent antibacterial activity against E. coli, with a zone of inhibition of 22+0.1 mm at 80 mg/mL. Compound 3a, (Z)-2-(4-((1-benzyl-1H-1,2,3-triazol-4-yl)methoxy)benzylidene)hydrazine-1-carbothioamide, showed the highest efficacy against B. subtilis, with an inhibition zone of 21+0.4 mm. Antioxidant assays, including DPPH and ABTS, revealed Compound 3c to have the lowest IC50 values (2 + 0.4 mu g/mL and 160+0.1 mu g/mL, respectively), indicating strong antioxidant activity. These results demonstrate that Cu2Ocatalyzed synthesis and chemical substitution in 1,4-disubstituted 1,2,3-triazole-linked thiosemicarbazone derivatives significantly enhance their antibacterial and antioxidant activities, making them promising candidates for therapeutic development.

This study focuses on the synthesis of alkylated coumarin derivatives as SARS-CoV-2 main protease inhibitors using a one-pot cascade addition followed by alkylation. Three different types of coumarins (1, 3, and 5) were used as starting materials, and a cascade addition followed by alkylation reaction was employed to efficiently obtain a range of novel compounds. A total of 12 derivatives (2a, 2b, 2c, 2d, 4a, 4b, 4c, 4d, 4e, 6a, 6b, and 6c) were synthesized with high yields (80-95 %), confirmed using 1H NMR, 13C NMR, HRMS, and single-crystal Xray diffraction techniques. Molecular docking studies, conducted with AutoDock Vina, demonstrated strong binding affinities of the derivatives to the SARS-CoV-2 main protease, with binding energies ranging from (-5.4 kcal/mol to -6.0 kcal/mol). Among these, compounds 4c, 4d, and 6c, exhibited the strongest binding interactions, particularly with key active site residues, including His41, Met49, Gly143, Cys145, and Met165, which are essential for protease inhibition. These binding energies outperformed the reference drug hydroxychloroquine (HCQ with binding energy of -5.5 kcal/mol), highlighting their strong inhibitory potential. Physicochemical and ADME (absorption, distribution, metabolism, and excretion) analysis showed that all synthesized compounds met key drug-likeness criteria, including Lipinski's, Veber's, Egan's, Ghose's, and Muegge's rules. The derivatives displayed molecular weights ranging from 300.31 g/mol to 423.50 g/mol, logP values between 2.25 and 3.74, and TPSA values of 69.67 & Aring;2 to 78.90 & Aring;2, suggesting favourable oral bioavailability. These findings suggest that the synthesized compounds are promising candidates for further development as SARS-CoV-2 main protease inhibitors.

An effective Zr(HPO4)2/g-C3N4 S-scheme heterojunction was synthesized by sonochemical coupling of Zr(HPO4)2 nanoparticles as an oxidative photocatalyst [EVB = +3.0 eV] with g-C3N4 nanosheets as an effective reductive photocatalyst [ECB =-1.25 eV] for photocatalytic degradation of rhodamine B dye under natural solar radiation of 1000 W power. The physicochemical properties of the as-synthesized heterojunctions were investigated by Xray diffraction [XRD], N2-adsorption-desorption isotherm, diffuse reflectance spectrum [DRS], photoluminescence [PL], scanning electron microscope [SEM], X-ray photoelectron spectroscope [XPS], and high resolution transmission electron microscope [HRTEM]. The experimental results implied the agglomeration of Zr (HPO4)2 nanoparticles on g-C3N4 sheets which reduced the specific surface area of the solid specimen from 88 to 21 m2/g. The significant increase in the photocatalytic degradation rate of RhB dye with introducing Zr(HPO4)2 nanoparticles implied that Zr(HPO4)2 plays a crucial role in reducing the band gap energy and remarkable increasing in the rate of electron-hole separation. The photocatalytic experiments implied that incorporation of 5 wt% Zr(HPO4)2 on g-C3N4 sheets destroyed 98 % of RhB dye during 3 h of light illumination with pseudo-first- order rate of 0.048 min- 1 . The remarkable enhancement in the photocatalytic performance of Zr(HPO4)2/g-C3N4 heterojunctions was ascribed to successful generation of an effective S-scheme heterojunction with strong redox power, utilizing of both hydroxyl and superoxide radicals in the degradation process and limiting the electron- hole recombination rate. Based on scavenger experiments and terephthalic acid PL analysis, the S-scheme pathway was chosen as the proposed mechanism for photocatalytic charge transfer. The as-synthesized Zr (HPO4)2/g-C3N4 heterojunction with exceptional redox power is considered a novel candidate for destructing organic pollutants that exist in industrial wastewater.

Cadmium chloride (CdCl₂), a widespread environmental contaminant, poses serious risks to food safety and human health by disrupting endocrine balance, impairing hematological parameters, and damaging reproductive organs. This study assessed the protective efficacy of silver nanoparticles (Ag NPs) synthesized using Helianthemum lippii phytochemicals against CdCl₂-induced toxicity in male Wistar rats. Animals were divided into four groups: control, CdCl₂-exposed, Ag NPs-treated, and CdCl₂-exposed followed by Ag NPs post-treatment. CdCl₂ significantly reduced free triiodothyronine (FT3: 3.95 ± 0.01 pmol/L) and free thyroxine (FT4: 18.99 ± 0.21 pmol/L), while elevating thyroid-stimulating hormone (TSH: 0.0055 ± 0.00087 µU/mL). It also induced anemia, lowering red blood cell count (RBC: 6.37 ± 0.14 × 106/µL) and hemoglobin (Hb: 12.27 ± 0.37 g/dL). Post-treatment with phytochemical-loaded Ag NPs restored FT3 and FT4 by 140% and 160%, respectively, and normalized TSH. Oxidative stress was alleviated, with malondialdehyde (MDA) reduced by 55% (0.33 ± 0.03 nmol/mg protein). Histopathological analysis confirmed testicular regeneration with a 30% decrease in inflammation and structural injury. These findings demonstrate that H. lippii-derived Ag NPs possess strong antioxidants, endocrine-protective, and cytoprotective potential against cadmium toxicity.

The tetrahedral Zn(II) complex, [Zn(MATZ)2(OAc)2] has been designed and synthesized as a luminescent probe. The formation of the [Zn(MATZ)2(OAc)2] has been accomplished through the reaction between 2-amino-5methyl-1,3,4-thiadiazole 'MATZ' and mono-coordinated acetate ions 'OAc'. The structural determination of the [Zn(MATZ)2(OAc)2] complex was conducted by utilizing elemental analysis, FT-IR, 1H NMR, and 13C NMR spectroscopy and confirmed using single X-ray crystallography. The fluorescence sensing capabilities of the [Zn (MATZ)2(OAc)2] were evaluated for selected anions, cations, and solvents. The experimental results of the fluorescent sensing study demonstrated the ability to selectively recognize Br- ions, resulting in Turn-On fluorescence at an emission wavelength (lambda em) of 446 nm. The binding constant of the [Zn(MATZ)2(OAc)2] with Br- ions was found to be 3.04 x 1010 M-2, the limit of detection (LOD) was 23.6 nM and the limit of quantification (LOQ) was 78.96 nM. Furthermore, the mechanism of Br- ion sensing by the [Zn(MATZ)2(OAc)2] was studies using DFT calculations.

Background:Peanut oil is recognized for its mild flavor, high phytochemical content, medicinal potential, and other health advantages. Objective:This study, for the first time, evaluates the antidiabetic potential of peanut oil, known for its high phytochemical content and medicinal properties. Methods:The oil, collected from the El Oued region of Algeria, was extracted using the Soxhlet technique with n-hexane as the solvent. The obtained oil was subjected to gas chromatography-mass spectrometry (GC/MS) analysis. The antidiabetic effect in vitro was examined by inhibiting α-amylase and α-glucosidase enzymes. The molecular docking was performed using Molecular Operating Environment (MOE) software to assess the inhibitory potential of 20 identified phytochemical compounds against α-amylase (PDB ID: 2QV4) and α-glucosidase (PDB ID: 5NN8). Results:The oil is showing an inhibitory activity against α-amylase and α-glucosidase. Twenty fatty acid compounds representing 99.9% of the oil content were classified by gas chromatography-mass spectrometry (GC/MS) analysis into saturated fatty acids (SFA), monounsaturated fatty acids (MUFA), and polyunsaturated fatty acids (PUFA). Peanut oil demonstrated significant α-amylase inhibitory activity with an IC50 value of 228.23 ± 5.68 μg/mL, surpassing the standard inhibitor, acarbose, which had an IC50 of 3650.93 ± 10.70 μg/mL. Conversely, the α-glucosidase inhibition by peanut oil was less pronounced, with an IC50 value exceeding 1,000 μg/mL. Acarbose exhibited a much stronger effect with an IC50 of 405.77 ± 34.83 μg/mL. The molecular docking outcomes stated that stearic acid had a binding energy of -7.5729 kcal/mol and formed hydrogen bonds with residues like Gly164, Asn105, and Ala106, along with hydrophobic interactions with His201, Leu162, Tyr62, Leu165, and Trp59 in α-amylase inhibitory while in α-glusosidase inhibitory apt, the data revealed that compounds such as oxiraneoctanoic acid, 3-octyl, exhibited a favorable binding energy of -6.5120 kcal/mol and formed hydrogen bonds with key residues His674 and Asp616. Conclusion:These findings suggest that while peanut oil holds promise as a natural α-amylase inhibitor, its effect on α-glucosidase is relatively modest compared to the synthetic standard. Further research is recommended to explore the potential synergistic effects of peanut oil's components for enhanced enzyme inhibition.

[This corrects the article DOI: 10.3389/fchem.2024.1487084.].