Journal of Saudi Chemical Society最新文献

Plywood is widely used in flooring, furniture and other indoor wood products due to its natural advantages. However, due to the rich nutrients and unique properties of plywood, it is easy to harbor mold, which affects the use value of plywood and endangers people’s health. In this paper, ZnO/TiO2 nanoparticles were prepared by a one-pot hydrothermal method, and plywood with anti-mold/anti-bacterial properties was successfully prepared. This study pioneered the novelty and originality of growing inorganic nanocomposites on the surface of plywood to prepare plywood with anti-mold and antimicrobial properties. The prepared samples were characterized by SEM, FTIR, XRD and XPS, and the results showed that ZnO/TiO2 was adsorbed on the surface of plywood by physical adsorption. The results of mold resistance and antimicrobial testing showed that ZnO/TiO2@plywood exhibited excellent performance as the content of ZnO/TiO2 nanoparticles increased. Moreover, the antibacterial rates of ZnO/TiO₂@plywood against staphylococcus aureus and escherichia coli were 96.14% and 93.36%, respectively. The improvement in the anti-mold/anti-bacterial properties of plywood is due to the reaction of ZnO/TiO2 nanoparticles with water or dissolved oxygen in water to form electron-hole pairs, generating chemically active superoxide anion radicals and hydroxyl radicals. These radicals will directly attack the bacterial cells, leading to the degradation of organic matter in the bacterial cells, thus achieving the anti-mold/anti-bacterial effect. Therefore, the novel plywood with anti-mold/anti-bacterial properties prepared in this study will fundamentally improve the intrinsic properties of plywood.

Near-infrared (NIR) persistent luminescence nanoparticles (PLNPs) have inherent advantages for high-sensitivity bioimaging due to the separation of excitation and emission light. However, the single-wavelength emission of NIR PLNPs for bioimaging limits their use in photodynamic therapy (PDT). Herein, a biological window excited up-conversion (UC) PLNPs, Zn₃Ga₂SnO₈:Cr³⁺,Yb³⁺,Ho³⁺ (ZGS), was reported for bioimaging and PDT. ZGS exhibits NIR persistent luminescence (PersL) after red LED excitation and visible UCL under 980 nm excitation. The NIR PersL is designed for in vivo bioimaging; the visible UCL is used to activate photosensitizer (PS) to generate reactive oxygen species (ROS) for PDT. The dual-functional ZGS with UCL and PersL provides an effective method for bioimaging and PDT, which is expected to further promote the application of PLNPs in the integration of efficient diagnosis and treatment.

In the dynamic area of drug development, researchers have been urged to uncover and test novel compounds with better effectiveness and fewer side effects in order to find more effective cancer treatments. In this comprehensive study, the synthesis and anticancer efficacy of new benzothiazole-thiazole have been displayed. Initially, a series of benzothiazole-thiazole conjugates 5a-c, 7a-b, and 8 were carefully designed and synthesized from the versatile 6-acetyl-2-phenylsulfonamidobenzothiazole (2), following the guidelines of rational design principles. The DFT/B3LYP approach showed that the synthesized hybrids had a non-planar configuration, where the benzene-sulfonamide group was oriented almost perpendicularly. The tested derivatives exhibited close HOMO-LUMO energies leading to small energy gaps (ΔE_H-L = 1.54–2.97 eV). Additionally, the inhibitory effects of the newly synthesized conjugates were tested on four cancer cell lines, including HepG2, HCT-116, MCF-7, and WI38. Conjugates 5a and 8 had strong inhibitory effects on the HCT-116 and MCF-7 cell lines. Additionally, the synthesized conjugates showed inhibitory action against CAIX and CAXII, where conjugate 8 also effectively inhibited both isoforms, as well as, conjugate 5a. Molecular docking analysis was performed to study the binding affinities and interactions of the newly synthesized benzothiazole-thiazole conjugates with the target PDB: 5fl4 protein. Moreover, the ADME outlines of the inspected conjugates were displayed, and conjugates 2 and 6 showed suitable characteristics for GI absorption and minor violations of Lipinski’s rules; thus, they are promising lead compounds.

The synthesis of tetrahydrospiro[pyrazole-4,5′-pyrazolo[3,4-b]pyridine] derivatives using Mg/Fe-LDH as a heterogeneous catalyst was reported. This methodology used for the condensation of pyrazolones with aldehydes in a basic medium and with the presence of the Mg/Fe-LDH catalyst presents many benefits, such as the fact of using a reusable and low-cost catalyst, environmentally friendly conditions, short reaction times and excellent yields. It has been verified and confirmed that the catalyst is relatively stable and allows its reuse without additional treatment. Condensation has been carried out with different aldehydes and bis-pyrazolone derivatives have been obtained with yields ranging from 71 to 91% of purified product. The stereo impedance of the adduct formed prevents subsequent condensation.

Here, we have synthesized Polycalix[4]resorcinarene (PC4RA) covalently coupled with carbon-modified porous graphitic carbon nitride (g-C₃N₄). The nanocomposites were characterized by (FTIR), (XRD), (SEM), Transmission (TEM), and DRS–UV–Vis spectroscopic methods. Photocatalytic activities of the PC4RA/g-C₃N₄ nanocomposites with different ratios of g-C₃N₄ were evaluated for degradation of 4-Nitrophenol under visible light irradiation under light irradiation of λ ≥ 320 nm. Three parameters were applied including the initial concentration of 4-nitrophenol, the amount of photocatalyst, and irradiation time. and the results of the photocatalytic performance suggest that the catalytic activity is strongly influenced by the presence of the g-C₃N₄ content. Especially the nanocomposite’s photocatalytic efficiency was the highest (98.32 % after 120 min) when the ratio of g-C₃N₄ was (1/2). However, an increase of the photocatalytic activities was related to the interfacial transfer of photogenerated electrons and holes, leading to the effective charge separation. The durability and stability of the nanocomposites have been examined and can endure the experimental conditions even after eight successive cycles. This approach opens up an avenue for the fabrication of graphitic carbon nitrite-based metal-free heterogeneous nanocomposites with high catalytic performance.

This work aims to evaluate the antimicrobial activity of some new quinoline derivatives linked to pyrazole derivatives. The target compounds pyrazolylvinylquinoline 11a-g and 12a-g were achieved by the reaction of 2-chloro-6-nitro-3-quinolinecarboxaldehyde (4) with bromotriphenylphosphonylmethylpyrazole derivatives 9a,b to give the new quinoline derivatives 10a,b which in turn reacted with different aryl amines to afford 11a-g and 12a-g. Pyrazole derivatives 9a,b were obtained by the reaction of hydroxymethylpyrazole derivatives 8a,b with triphenylphosphine hydrobromide. Antimicrobial evaluation of the newly synthesized compounds showed that most of the new compounds appeared active toward Gram-positive bacteria more than Gram-negative bacteria. The biological evaluation of compounds 12d-g displayed the highest antimicrobial activity against the tested microorganism strains. Additionally, compounds 12d and 12f showed excellent activity against P. aeruginosa (MIC₅₀ 0.019 mg/mL), while compounds 11d, 11f, 12e, and 12g displayed good activity against the same microorganism (MIC₅₀ 0.07 mg/mL). On the other hand, most of the new compounds have moderate activity against E. coli. Compounds 12d and 12f showed excellent activity versus C. albicans in vitro antifungal activity (MIC₅₀ 0.15 mg/mL) comparing to or slightly lower than that of Fluconazole. Using molecular docking simulations, we evaluated the binding affinities and interactions of four chosen derivatives 12d-g with a target PDB code 3WT0 protein.

The widespread use and subsequent accumulation of florfenicol (FFC), a common antibiotic, through the food chain poses significant risks to aquatic ecosystems and human health, necessitating effective strategies for its removal from water bodies. To solve the challenge, herein, we developed a novel aluminum-based metal–organic framework CAU-1, engineered for the efficient adsorption of FFC. CAU-1 contains the plentiful –NH₂ and μ-OH groups with the positively charged on the surface. In the adsorption process, CAU-1 perform hydrogen bonding interactions with FFC’s functional groups (−F, –OH, −Cl, –NH–, and −SO₂–). Furthermore, the positively charged surface of CAU-1 enhances FFC adsorption via electrostatic attraction together. FFC adsorption equilibrium on CAU-1 is attained within 180 min with a monolayer adsorption capacity of 386 mg/g at 303 K, surpassing most of the reported adsorbents. The exothermic FFC adsorption process on CAU-1 remains largely unaffected by coexisting ions. Additionally, CAU-1 can be efficiently regenerated using a mixed solution of 0.1 M HCl and ethanol–water as an eluent. This work highlights CAU-1’s potential as an effective adsorbent for FFC removal, emphasizing the importance of tuning or designing surface functional groups on adsorbents to boost their adsorption capabilities.

The non-fullerene acceptor (NFA) chromophores have sparked scientific and economic interest, due to their rapid advancements in power conversion efficiencies. Therefore, a series of new chlorothiazole based compounds (STM1-STM6) with A1–π–A2–π–A1 configuration was designed using reference chromophore (STMR). Structural modifications were made via incorporating selenophene and extended acceptor units, to enhance photovoltaic response in the designed materials. Density functional theory/time dependent-density functional theory (DFT/TD-DFT) calculations were executed at M06/6-311G (d,p) level to investigate key electronic and photovoltaic properties of STM1-STM6. So, various analyses such as UV–Visible, frontier molecular orbitals (FMOs), transition density matrix (TDM), density of states (DOS), open circuit voltage (V_oc) and binding energy (E_b) were conducted to comprehend the photovoltaic properties. The designing in structural aspects with terminal acceptors and π-linker induced a reduction in energy gaps (ΔE = 2.078–2.237 eV) with an enhancement in the bathochromic shift (λ_max = 744.650–798.250 nm in chloroform) than reference compound. A higher exciton dissociation rate was observed in all the compounds due to lower binding energy values (E_b = 0.525–0.572 eV). Additionally, TDM and DOS findings further endorsed the effective charge delocalization from HOMO to LUMO. Among all the examined compounds, STM3 exhibited the smallest band gap (2.078 eV), highest absorption maxima (798.250 nm), and the lowest exciton binding energy (0.525 eV), indicating significant electronic properties. Moreover, V_oc analysis was conducted with respect to HOMO_PBDBT-LUMO_acceptor for all the designed chromophores; consequently, STM2 demonstrated a substantial V_oc value of 1.647 V. Similarly, electron hole analysis was also conducted and significant electron and hole density was observed in all the investigated compounds, especially in STM2. The entitled compounds with photovoltaic potential would be considered as promising materials for the development of solar energy devices.

Complex, kinetically stable emulsions with an average droplet size of 50–100 nm and a mean droplet diameter of 50–1000 nm is known as nanoemulsions. They are often referred to as tiny submicron, ultrafine, or finely dispersed emulsions; they have a tyndal effect and are transparent to the naked eye. Antimicrobial nanoemulsion is a type of o/w emulsion system that is stabilized by surfactants and alcohols that are used as co-surfactants. It is effective against a wide range of microorganisms, such as viruses (such as herpes simplex and HIV), fungi (such as Candida and dermatophytes), and bacteria (such as Escherichia coli, Salmonella, and Staphylococcus aureus). The nanoemulsion droplets were designed to fuse by electrostatic attraction and a thermodynamic mechanism with lipid-coated microorganisms. The active component and the trapped energy generated by the nanoemulsion break down the pathogen’s lipid membrane when a sufficient number of nanoparticles fuse with the pathogens, resulting in cell lysis and the eventual death of the invasion microorganisms. Because there is less surfactant in each droplet, the targeted bacteria become unstable without endangering the healthy cells, giving the nanoemulsions a safety margin. Nanoemulsion has many benefits, such as being clear, biocompatible, non-immunogenic, biodegradable, able to hold drugs, release them slowly and steadily, being nanometrically small, having a large surface area, being easy to make, and being thermodynamically stable.

A new series of cis-dihydroxy-indeno[1,2-d]imidazolone compounds with distinct structures were synthesized to investigate their potential as inhibitors of the Glycogen synthase kinase 3 (GSK-3). The synthesized compounds were thoroughly characterized using IR, Mass, ¹H, and ¹³C NMR, and in silico screening, including molecular docking, DFT studies using the B3LYP/6-31++G(d,p) basis set in the gas phase drug likeness scores, and molecular dynamic simulation studies, was performed to evaluate protein–ligand interactions and determine the stability of the top-ranked conformation. Our results suggested that compound 4 g, among these compounds, has the potential to be a novel GSK-3 inhibitor as an anticancer agent.