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In this elucidation, the use of advanced oxidation processes (AOPs) is anticipated as a promising green technology for deducting water contamination. Here, we announce the use of an amide polymer accumulated with bimetallic oxide, CuFe 2 O 4 , based on a cellulose moiety as photo-Fenton catalysts. Firstly, the condensation of terephthaloyl dichloride with aminoacetophenone utilized to afford the corresponding N 1 ,N 4 -bis(4-acetyl phenyl)terephthalamide (BAT), which easily reacts with carboxymethyl cellulose, resulting in the cleavage of H 2 O and chelation on the cellulose surface, forming the novel N 1 ,N 4 -bis(4-acetyl phenyl) terephthalamide/carboxymethyl cellulose (BAT/CMC). It adsorbs bimetallic oxide, CuFe 2 O 4 through physical interaction to form N1,N4-bis(4-acetylphenyl) terephthalamide/carboxymethyl cellulose/CuFe 2 O 4 (BAT/CMC/CuFe 2 O 4 ). All synthesized compounds were confirmed through spectral analysis, including FT-IR, NMR, SEM, and XRD. In addition to nitrogen adsorption–desorption measurements of evaluated catalysts. Furthermore, the (BAT/CMC/CuFe 2 O 4 ) exhibits superior reactivity for Fenton-like reactions in degrading Rhodamine B (RhB) dye under solar irradiation compared to the prepared heterogeneous catalyst, CuFe 2 O 4 . Moreover, under optimal conditions, a comparative experiment between conventional and photo-Fenton catalytic degradation was conducted. After 80 min, BAT/CMC/CuFe 2 O 4 achieved a maximum removal efficiency for RhB of 39.5% at 303 K, while the photo-Fenton oxidation process completely decomposed RhB (94.2%). The first-order kinetic simulation is the most appropriate model for RhB onto all developed materials, as demonstrated by the higher values of correlation coefficients, R 2 . Thermodynamic studies disclosed that the system functions through endothermic, non-spontaneous processes; also, the created samples have activation energies (Ea) greater than 20 kJ/mol, suggesting a chemical mechanism for RhB decomposition. Four successive cycles were conducted to evaluate the reusability of developed catalysts under optimal conditions, with a drop-in degradation activity. Furhermore, the Density Functional Theory (DFT) investigation of BAT/CMC/CuFe 2 O 4 with RhB dye using the B3LYP/LANL2DZ(G) basis set confirmed their hydrogen bond interaction and determined their different physical describitors.

In this investigation, pressure microwave irradiation was used to clarify the activity of 1-(2-hydroxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one (3) towards several active methylene derivatives utilized the pressurized microwave irradiation as green energy resource . Chalcone 3 was allowed to react with ethyl cyanoacetate, acetylacetone, and thioglycolic acid; respectively, at 70 °C with pressure under microwave reaction condition to afford the corresponding 2-hydroxyphenylcyanopyridone, 2-hydroxyphenyl acetylcyclohexanone, and thieno[2,3- c ]chromen-4-one derivatives respectively. Moreover, the reaction of chalcone 3 with hydrogen peroxide with stirring affords the corresponding chromen-4-one derivative. All the synthesized compounds were confirmed through spectral tools such as FT-IR, 1 HNMR, 13 CNMR, and mass spectrum. Furthermore, the synthesized heterocycles were exhibited excellent antioxidant activity and comparable with vitamin C, where the presence of the OH group increases the scavenger radical inhibition. Furthermore, the biological activity of compound 12 was demonstrated through molecular docking stimulation using two proteins, PDBID: 1DH2 and PDBID: 3RP8, which showed that compound 12 possesses greater binding energy and a shorter bond length comparable with ascorbic acid. Also, the compounds were optimized through DFT/B3LYP/6-31G (d,p) basis set and identification of their physical descriptors, whereas the compound 12 was confirmed through X-Ray single structure with Hirsh field analysis of the compound to know the hydrogen electrostatic bond interaction, and correlated with the optimized structure by comparing their bond length, bond angle, FT-IR, and NMR, which gave excellent correlation.

In this elucidation, the nucleophilic attack of salicyladehyde with chitosan, which was obtained from the shrimp shell, afforded the cellulose aldehyde (Schiff base), and then the dispersion of CuFe 2 O 4 on the surface of cellulose aldehyde gave the novel nanomaterial of bimetallic oxide, which was confirmed through spectral analysis such as FT-IR, NMR, SEM, and XRD analysis. Moreover, the anti-proliferative effect of chitosan, chitosan salicylaldehyde, and chitosan salicylaldehyde/CuFe 2 O 4 was evaluated in PC3 human prostate cancer cells and  HSF normal human skin fibroblasts. After 48 h, PC3 cell proliferation was significantly inhibited by chitosan salicylaldehyde/CuFe 2 O 4 and chitosan salicylaldehyde (IC 50  = 35.3 and 45.55 µg/ml, respectively) without any effects on normal HSF cells. The mRNA expression levels of PI3K, AKT, mTOR, and CCND1 were examined in PC3 -treated cells by using QRT-PCR, and the results demonstrated that, by down-regulating the expression levels of these genes, chitosan salicylaldehyde/CuFe 2 O 4 significantly affected prostate cancer cell proliferation, progression, and autophagy more than chitosan salicylaldehyde. Furthermore, the docking stimulation of the chitosan derivatives with different proteins showed the presence of CuFe 2 O 4 particles effect on the interaction inside their pockets and increased the activities, and it’s related to biological evaluation. Additionally, the theoretical investigation of these chitosan derivatives and the determination of their physical descriptors showed the activity of bimetallic oxide and the presence of electrostatic hydrogen bond interaction. Finally, these findings may suggest that chitosan salicylaldehyde/CuFe 2 O 4 has a promising anticancer impact against prostate cancer.

This research describes the design, synthesis, characterization, and biological assessment of new Pectin-based Hydrazide and Oxadiazole derivatives as possible anticancer agents. The chemical modification of native Pectin was accomplished using a sequence of esterification, Hydrazide formation, and cyclization with carbon disulfide to yield Pectin Hydrazide (3) and Pectin Oxadiazole (5), confirmed using FT-IR, 1 H/ 13 C NMR, elemental, SEM, and TGA analyses. The in vitro anticancer activity of the synthesized Pectin derivatives was evaluated against HepG2 and Caco2 cancer cells using the neutral red uptake test. Pectin Oxadiazole (IC 50  = 23.5 μg/mL) and Pectin Hydrazide (IC 50  = 39.5 μg/mL) demonstrated the most potent cytotoxic effects against Caco2 cells after 48 h. ELISA assays showed significant reductions in ROS activity and HO-1 protein levels, while qRT-PCR confirmed significant suppression of NRF2, HIF-1α, VEGF, and PDGF-D gene expression in Caco2 cells treated with these Pectin derivatives. Molecular docking and 100-ns molecular dynamics simulations against several cancer-related targets (PDB IDs: 1lc8, 1n3u, 1u6d, 3nl0, 5k5x) demonstrated that Pectin Oxadiazole had a stronger binding affinity with greater structure stability and greater ΔG _bind (− 34 to − 82 kcal/mol) along with a much lower RMSD profile. Additionally, density functional theory (DFT/B3LYP/6-31G) calculations suggested that the presence of N- and S-containing heterocycles resulted in lower HOMO–LUMO gaps and improved dipole moments, thereby increasing electronic reactivity and charge transfer characteristics. Taken together, the Pectin Oxadiazole and Pectin Hydrazide derivatives show combined cytotoxic, antioxidant, and anti-angiogenic activities, thus warranting further investigation toward novel multifunctional agents for the treatment of colorectal cancer.

The reaction of cyanoethyl cellulose with para-bromo diazonium chloride resulted in the creation of a novel bromo-containing cellulosic (MCPT). The dispersion stability of MCPT has been improved by its dispersion into 1% waterborne polyurethane acrylate (WPUA). TEM, particle size, and zeta potential were used to track the dispersion stability of aqueous MCPT and MCPT in 1% WPUA and particle size. The prepared MCPT has been utilized as a unique green colorant (dye) for the printing of cotton, polyester, and cotton/polyester blend fabrics using a silkscreen printing technique through a single printing step and one color system. Color improvement has been achieved by printing different fabrics with a printing paste of MCPT dispersed in 1% WPUA. The MCPT and MCPT in 1% WPUA printed fabrics were evaluated for rubbing, light, washing, and perspiration fastness, UV blocking activity, and antibacterial activity. These findings were established through structural optimization at the DFT/B3LYP/6-31 (G) level and simulations involving several proteins.

In this study, the impact of temperature on metal-organic framework (Fe-Co-Al @BTC) structural properties and antibacterial activity was investigated. It was synthesized by both hydrothermal method and at room temperature. It exhibited remarkable differences in crystallinity, porosity, morphology, and antibacterial activity. Fe-Co-Al@BTC prepared at room temperature exhibited higher crystallinity, larger average particle size, distinct morphology, and enhanced antibacterial activity compared to the hydrothermally synthesized sample. The estimated optical band gap was found to be ~ 2.48 eV and 2.25 eV for MOF synthesized at room temperature and hydrothermal conditions, respectively which was confirmed by PL results. Antibacterial performance, evaluated using optical density measurements and the cut plug method, demonstrated 100% bacterial growth inhibition at 600 mg/L for the room temperature sample, whereas the hydrothermal sample showed 50% inhibition at the same concentration. Density functional theory (DFT) calculations with the LANL2DZ basis set revealed the MOF’s electronic and photocatalytic properties, indicating stability, moderate reactivity, and potential for photocatalytic applications through analysis of the HOMO–LUMO gap and metal-to-ligand charge transfer. Thermodynamic analysis indicated that room temperature synthesis is more favorable despite slower crystallization, while hydrothermal synthesis is faster but energetically more demanding. Both syntheses were exothermic; however, higher temperature reduces spontaneity due to entropic penalties, with Gibbs free energy confirming room-temperature synthesis as the preferred approach.

In this study, the oxidation of microcrystalline cellulose using NaIO 4 to yield the corresponding cellulose aldehyde utilized microwave irradiation as a green tool, the obtained cellulosic aldehyde was confirmed through spectral analysis and it has an active site to react with the synthesized uracil acetamide to afford the corresponding arylidene cellulosic MDAU(4), the latter compound which can easily due to presence of active CH=group behind a cyano group react with nitrogen nucleophile’s and cyclized with hydrazine hydrate to give pyrazole cellulosic MDPA(5). The spectral analysis of the obtained cellulosic derivatives was confirmed with FT-IR, NMR, and SEM. Additionally, a neutral red uptake analysis has been used to investigate the cytotoxic activity of the cellulosic compounds MDAC(2), MDAU(4), and MDAP(5) against the cancer cells A549 and Caco2. After 48 h, Compound MDAU(4) had a stronger inhibitory effect on the growth of A549 and Caco2, compared to control cells. Then, using QRT-PCR, the expression levels of the genes β-Catenin, c-Myc, Cyclin D1, and MMP7 in A549 cells were examined. By reducing the expression levels of the Wnt signaling cascade genes (β-Catenin, c-Myc, Cyclin D1, and MMP7) when administered to A549 cells, compound MDAU(4) was shown in this investigation to be a viable candidate compared to lung cancer. Additionally, docking simulation was used to explore the uracil cellulosic heterocycles attached to different proteins, and computational investigations of these compounds looked at how well their physical characteristics matched the outcomes of their experiments.

The worldwide escalation of antimicrobial resistance (AMR) necessitates the search for new bioactive agents from natural sources. Consequently, this study investigates the antimicrobial activity of endophytic Streptomyces spp. Eighteen Streptomyces isolates were recovered from sixteen peanut root samples using nitrate starch agar at 30 °C for 7 days. Among these, two strains, Streptomyces rochei RSA1 and Streptomyces sp. RSA2, exhibited significant antibacterial activity against both Gram-positive ( Bacillus cereus and Staphylococcus aureus ) and Gram-negative ( Pseudomonas aeruginosa and Escherichia coli ) bacteria, compared with six standard antibiotics. Nine metabolic bioactive compounds were identified using GC-MS. However, two compounds2-(butylthio) pyrimidine-4,6(1 H,5 H)-dione and 2,4-di-tert-butylphenol were particularly prominent (> 96% abundance). Functional groups were confirmed via FT-IR spectra. Molecular docking and dynamics simulations with relevant bacterial protein targets (PDB ID: 6FJH, 1O9G, 1J5E, and 9QT5) revealed strong hydrogen bonding and electrostatic interactions, with S. rochei RSA1 forming the most stable complex. Overall, peanut-derived endophytic Streptomyces represent promising sources of bioactive antibacterial metabolites for combating multidrug-resistant infections.

A two-dimensional covalent organic framework (2D-COF), COFTHB, was synthesized via a Schiff base condensation of terephthaldehyde and 1,4-hydrazonmethylbenzene under green, room-temperature conditions. COFTHB exhibits a mesoporous structure (pore size = 3.68 nm), excellent chemical stability, and high thermal stability up to 629 °C. It demonstrated superior antibacterial activity against both Gram-negative ( Pseudomonas aeruginosa , Escherichia coli ) and Gram-positive ( Enterococcus faecalis , Staphylococcus aureus ) bacteria compared to hydrazonmethyl benzene and a model compound (M). Molecular docking simulations revealed the interactions of COFTHB with various proteins, while Density Functional Theory (DFT) (WB97XD/6-311G) analysis of COFTHB, HB (1,4-bis( Z )-hydrazonomethyl benzene), and the model compound provided insights into their electronic properties, reactivity, and resonance effects through Frontier Molecular Orbitals (FMO), Electrostatic Potential (ESP), and Molecular Electrostatic Potential (MEP) analyses. These results suggest COFTHB as a promising platform for antibacterial applications in water treatment.