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Compound 4,4′-(1,4-phenylenebis(thiazole-4,2-diyl))bis(1H-pyrazol-5-amine) (5) was used in the preparation of novel pyrazolo[1,5-a]pyrimidines incorporating a thiazole moiety (6, 7b, 8, 9, and 13–18). the reactions were described via the following reactions: acetylacetone, acetanilide, diethyl malonate, ethyl cyanoacetate, 3-(dimethylamino)-1-phenylprop-2-en-1-one, 2-((dimethylamino)methylene)-3-oxopentane-nitrile, 3-(dimethylamino)-1-(thiophen-3-yl)prop-2-en-1-one, 2-((dimethylamino)methylene)-5,5-dimethylcyclo-hexane-1,3-dione, dimethylformamide-dimethylacetal, and with a mixture of p-nitro benzaldehyde/cyclohexanone, respectively. Gram-positive bacteria B. subtilis and B. thuringiensis, as well as Gram-negative bacteria E. coli and P. aeruginosa, were tested for the newly synthesized compounds' in vitro antibacterial activity. Their in vitro antifungal activity against fungus strains B. Fabae and F. oxysporum was also assessed. The compounds 16–18 had the strongest activity against Gram-positive bacteria, with MIC values = 3.125 µg/mL against B. subtilis, which is equipotent to the drug reference Chloramphenicol, and MIC values = 6.25 µg/mL against B. thuringiensis, which is equipotent to the drug reference Cephalothin. Compounds (13–18) were shown to be superimposable to CNB based on their docking results, with the exception of derivative 18. Furthermore, they demonstrated a strong binding mode with DNA gyrase B's active pocket (PDB: 1KZN) by forming several contacts with the enzyme's essential amino acids in a way that was comparable to CNB.

Carbon nanotubes (CNTs) were synthesized by floating catalyst chemical vapor deposition (FCCVD) reactions. The complicated processing parameters that included a precursor solution composition, reaction temperature, flow rate of the carrier gas, weak oxidants, and injection rate of the precursor solution were controlled to synthesize single-walled carbon nanotubes (SWCNTs) during the reaction process. The effects of the processing parameters were analyzed with respect to the formation of SWCNTs, yield, and the crystallinity in the CNTs structure. The SWCNTs were characterized by the Raman spectroscopy, scanning electron microscope, high-resolution transmission electron microscopy, and thermogravimetric analysis. A high reaction temperature, high H₂ flow rate, low injection rate of solution precursor, and low concentrations of iron catalysts in the reaction were important factors to improve the crystalline quality of the SWCNTs. The purity of the initial product grown by the standard process was more than 90 wt %, with a yield of 0.5 g/h. The average G/D ratio of the initial product was 178, and it had a distinct RBM peak. HRTEM confirmed that the synthesized SWCNTs had high purity and crystallinity. The SWCNTs could be tunable to meet a particular application by varying the reaction conditions.

The present work involves the preparation of pure ZnO and gadolinium-doped ZnO nanoparticles with the general formula Gd_xZn_1−xO (X = 0–0.05) by wet chemical coprecipitation technique. XRD outcomes confirmed that these nanoparticles exhibited a hexagonal wurtzite structure of zinc oxide lacking any secondary phase. The calculated average crystallite size declined from 33 to 28 nm. Through SEM analysis, the shape and morphology of the sample were determined, which showed nanoflakes-like structures, and EDS analysis confirmed the elemental composition of Gd-doped ZnO nanoparticles. UV–vis DRS spectral studies indicate good optical capabilities with a decline in the bandgap from 3.4 to 2.6 eV with an incline in doping concentration. Photoluminescence studies exhibited a green emission peak at 378 nm. Additionally, photodegradation of these nanoparticles was assessed through degradation of MB dye, which showed 94% of dye degradation. Synthesized nanoparticles show good electrochemical performance in CV studies. Pure ZnO and Gd-ZnO were examined against Gram-positive Enterococcus faecalis and Gram-negative Escherichia coli bacteria, and it was initiated that the zone of inhibition of antibacterial activity improved with gadolinium doping compared to the pure ZnO nanoparticles.

Inserting Isatin (1H indole 2,3-dione) stands out as an exceptionally captivating element in the realm of drug design and development. Hence, there has been a notable focus in numerous anticancer studies on investigating the potential of various derivatives of Isatin (1H indole 2,3-dione), including imines, hydrazones, thiosemicarbazones, and other compounds. Therefore, to develop new compounds with anticipated high activity, a novel series of 40 Isatin derivatives have undergone 3D-QSAR studies as potent anticancer agents against the leukemia cell line (K562). This approach has been pursued due to the significant importance placed on exploring the potential of these derivatives. Through the analysis of graphical contour maps, the generated models yielded favorable statistical outcomes and provided valuable insights into the structural elements that exert a significant influence on the activity. Furthermore, both CoMFA and CoMSIA models have shown suitable reliabilities (q²  =  0.689, 0.772, respectively) and predictive abilities (r²pred  =  0.780, 0.892, respectively). As a result, the design of five new compounds (T1–T5) based on the Isatin moiety, which exhibited remarkable inhibitory activity, has successfully been accomplished. Accordingly, molecular docking and molecular dynamics (MD) simulations of 100 ns have been utilized to examine the interaction mechanism and conformational changes of the newly designed compounds at the binding site of BCR-ABL tyrosine kinase. MD simulation revealed that both compounds T1 and T2 formed stable complexes with BCR-ABL. Additionally, the assessment of the in-silico pharmacokinetic parameters indicates favorable ADMET properties. These findings hold promise for the future development of potent BCR-ABL tyrosine kinase inhibitors.

A facile wet chemical approach was adopted to synthesize zinc oxide, titanium dioxide, and iron (II, III) oxide, followed by the synthesis of ZnO–TiO₂–Fe₃O₄ nanocomposite via physical mixing. The synthesized nanoparticles were characterized using X-ray diffraction, UV–visible spectroscopy, vibrating sample magnetometry, transmission electron microscopy, and energy-dispersive X-ray spectroscopy to investigate various physical and chemical characteristics of the prepared samples. Furthermore, the catalytic reduction of methylene blue (MB) and rhodamine B (Rh B) dyes was carried out using prepared nanomaterials as catalysts under UV–visible light illumination. It was observed that the degradation efficiency of the nanocomposite was equivalent to or slightly better than TiO₂ nanoparticles and higher than ZnO nanoparticles against both dye solutions. Its removal efficiency using an external magnetic field is much higher than that of the constituent nanoparticles, owing to its higher saturation magnetization. So, the obtained results suggest that the produced nanocomposite can be employed as a high-potential catalyst for reducing organic dyes and pollutants in wastewater treatments.

In this study, 2-bromoisonicotinic acid and (S)-1-phenylethaneamine were reacted in the presence of pyridine and TiCl₄ to produce 2-bromo-N-(1-phenylethyl)isonicotinamide (3). The derivatives (5a–f) of (S)-2-bromo-N-(1-phenylethyl)isonicotinamide were then created by a Suzuki–Miyaura cross-coupling process catalyzed by palladium (0) and K₃PO₄ as a base. The reactivity and electronic features of the compounds were investigated using DFT molecular electrostatic potential investigations, reactivity descriptors, and frontier molecular orbital analysis.

In this research, silver was loaded onto ZnO using the photoreduction method to enhance the photocatalytic activity of ZnO in the visible region. The photocatalytic activity of ZnO and Ag/ZnO was investigated for the gas-phase degradation of volatile organic compounds such as ethyl acetate, ethanol, and toluene under visible light irradiation. The Ag/ZnO effectively decomposed ethyl acetate, toluene, and ethanol separately and in a mixed state. The characteristics of Ag/ZnO and ZnO were studied using XRD, SEM, EDAX, XPS, BET, UV–vis DRS, and PL analyses. The XRD pattern confirmed the formation of metallic silver in the Ag/ZnO photocatalyst. The PL results showed that the loading of Ag on the ZnO significantly reduces the photoelectron-hole pairs recombination in Ag/ZnO.

Photobromination of toluene derivatives using blue LED (454 nm) or UV LEDs (365, 385, 395 nm) with aqueous HBr and NaOCl·5H₂O in trifluoromethyl benzene afforded the corresponding benzoic acids derivatives. The intermediates were (dibromomethyl)benzene derivatives, isolated in a nitrogen atmosphere. The dibromomethyl benzene derivatives afforded the corresponding aldehydes. After the reaction with HBr, the aqueous layer could be recovered and reused.

Limeum indicum (LI), a plant from the Aizoaceae family, has garnered interest due to its potential health benefits. In this study, we explore the antidiabetic, antioxidant, antinociceptive, and anti-inflammatory properties of a chemically characterized whole extract from LI. In vitro assays included DPPH and reducing power tests to assess antioxidant activity. For in vivo investigations, adult Wistar rats were used. Alloxan-induced diabetic rats received oral doses of LI whole extract (ethanol (LI-EE), DCM (LI-DE), and n-Hexane (LI-HE)) or glimepiride for 21 days. Carrageenan-induced inflammation and nociceptive effects were also evaluated. Molecular docking studies aided in identifying potential targets for the extract's bioactivity. Phytochemical analysis revealed the presence of cardiac glycosides, flavonoids, phenolics, saponins, and fixed oils in the extract. Both DPPH and reducing power assays demonstrated substantial total phenolic and flavonoid content, indicative of strong antioxidant activity. The extracts dose-dependently reduced blood glucose levels in alloxan-induced diabetic rats and mitigated inflammation and nociception. Furthermore, the significant antidiabetic and anti-inflammatory activities of n-hexane extract, suggested to identify the potential components by employing molecular docking studies.

Porous carbon is considered a promising adsorbent for carbon capture and sequestration, and pore structure and surface activity must be optimized in order to achieve high capture capacity and recycling performance. In this study, terephthalic acid and sodium hydroxide were used as raw materials to prepare sodium carbonate based porous carbon and metal oxide composites at TPA:NaOH:X(X = MgO, CaO, MgO/CaO, Mg(NO₃)2,C, and Al₂O₃) = 1:1:2 and 600 °C. The analysis results show that the material MgO/Na₂CO₃ has the best CO₂ adsorption capacity, and the adsorption capacity is 10.56cm³/g at 0 °C and 1 bar. The material Al₂O₃/Na₂CO₃ has the best thermal stability, and the MgO/Na₂CO₃ shows good recycling performance in the five cycle test. The high-temperature calcination process makes the mesoporous structure of the material form, which makes the carbon composites show good capture performance, and sodium carbonate based solid adsorbents have good development and application prospects as CO₂ capture and separation materials.