Catalytic green synthesis of Tin(IV) oxide nanoparticles for phenolic compounds removal and molecular docking with EGFR tyrosine kinase.

In this study, tin dioxide nanoparticles (SnO2 NPs) were successfully synthesized through an eco-friendly method using basil leaves extract. The fabricated SnO2 NPs demonstrated significant adsorption capabilities for phenol (PHE), p-nitrophenol (P-NP), and p-methoxyphenol (P-MP) from water matrices. Optimal conditions for maximum removal efficiency was determined for each phenolic compound, with PHE showing a remarkable 95% removal at a 3 ppm, 0.20 g of SnO2 NPs, pH 8, and 30 min of agitation at 35 °C. Molecular docking studies unveiled a potential anticancer mechanism, indicating the ability of SnO2 NPs to interact with the epidermal growth factor receptor tyrosine kinase domain and inhibit its activity. The adsorption processes followed pseudo-second order kinetics and Temkin isotherm model, revealing spontaneous, exothermic, and chemisorption-controlled mechanisms. This eco-friendly approach utilizing plant extracts was considered as a valuable tool for nano-sorbent production. The SnO2 NPs not only exhibit promise in water treatment and also demonstrate potential applications in cancer therapy. Characterization techniques including scanning electron microscopy, UV-visible spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction spectroscopy (XRD), and energy-dispersive X-ray spectroscopy (EDAX) provided comprehensive insights into the results.

Synthesis of hydroxyapatite/polyethylene glycol 6000 composites by novel dissolution/precipitation method: optimization of the adsorption process using a factorial design: DFT and molecular dynamic.

In this work, we presented a synthesis of a composite based on HAp and PEG 6000 using a new method of synthesis dissolution precipitation to be applied for application of wastewater purification from toxic metal ions. Multiple characterization methods were used to analyze the morphology and the structure of the well-prepared compounds including FT-IR, Raman, XRD, XPS, TGA and SEM were used to conduct a composite analysis. The adsorption effectiveness of this analysis towards Pb2+ and various other hazardous metal ions found in sewage was assessed. Batch experiments were conducted to optimize the various operational parameters including adsorbent dose, temperature, pH, contact time, and initial concentration. The Langmuir isotherm was used to fit the data, and it predicted monolayer adsorption with a maximum capacity of 67 mg g-1 for HAP PEG600 and 60 mg g-1 for HAp. A pseudo-second-order equation fits the adsorption process well (0.961-0.971). The thermodynamic data support the spontaneous metal bonding to the composite receptor sites. Theoretical calculations showed that the interaction strength is very strong and gets stronger when the PEG6000 is deprotonated. The results presented here are supported by evidence acquired from experiments. Theoretical computation using Monte Carlo (MC) and Molecular Dynamic (MD) simulation models showed excellent affinity of prepared foams for the model ion Pb2+ with highly negative adsorption energy values indicating vigorous interactions of Pb2+ with the adsorbate surfaces.

Synthesis, characterization, and biodegradation studies of new cellulose-based polymers.

New cellulose carbamates and cellulose acetate carbamates were prepared by classical addition reaction of isocyanates with alcohols. A Telomerization technique was used to make the grafted molecules strongly anchored and more hydrophobic. These molecules were grafted into cellulose and CA chains, respectively. The structures of the synthesized derivatives were confirmed using Nuclear Magnetic Resonance Spectroscopy, Fourier Transform Infrared and Thermogravimetric Analysis, and their solubility phenomenon was also established, and the carbamate derivatives showed better solubility compared to cellulose. Their ability to biodegrade was investigated, and it was concluded that Cell-P1 and CA-P1 derivatives are more biodegradable than the other samples. These results suggest that the resulting compounds can be used effectively in many useful industrial fields, for instance, eco-friendly food packaging, domains that use materials that are environmentally friendly and sustainable and the development of green chemistry.

Design of Nanohydroxyapatite/Pectin Composite from Opuntia Ficus-Indica Cladodes for the Management of Microbial Infections.

Hydroxyapatite (HAp) attracts interest as a biomaterial for use in bone substitution or allografts. In the current work, biomaterial nanocomposites based on HAp and pectin were synthesized by using the double decomposition method, which involved using pectin extracted from fresh cladodes of the prickly pear, Opuntia ficus-indica. The crystallinity, purity, and several analytical techniques like Fourier transform infrared spectroscopy, X-ray diffraction, and scanning electron microscopy were used to understand the surface's shape. The results revealed that the produced HAp/pectin nanoparticles are pure, spherical, and amorphous. The spectroscopic data indicated a substantial interaction between HAp and pectin, specifically between Ca (II) and pectin hydroxyl and carboxyl groups. The presence of pectin showed a noticeable influence on the prepared nanocomposite texture and porosity. We further assess the antibacterial and antifungal activity of the developed nanocomposite against a number of pathogenic bacteria and fungi, evaluated by the well diffusion method. In the absence of pectin, the XRD analysis revealed that the HAp nanoparticles had 10.93% crystallinity. When the pectin concentration reached 10 wt.%, it was reduced to approximately 7.29%. All synthesized nanocomposites demonstrated strong antimicrobial activity against both Gram-positive (Staphylococcus aureus and Bacillus cereus) and Gram-negative (Escherichia coli and Pseudomonas aeruginosa) bacteria in addition to various fungi (e.g., Aspergillus fumigatus, Penicillium funiculosum, and Trichoderma viride). This study endorses the HAp/Pectin nanocomposite as an efficient antimicrobial material for biomedical advanced applications.