Arabian Journal of Chemistry最新文献

Hepatocellular carcinoma is the fifth most common cancer worldwide, posing significant challenges due to drug resistance and adverse effects associated with current treatments. Plant extracts, known for their diverse bioactive compounds, offer promising alternatives for cancer treatment. The study aimed to investigate the potential of Heliotropium curassavicum by extracting its phytochemicals through Soxhlet extraction and maceration methods. The study also aimed to assess in-vitro cytotoxicity using the MTT assay, evaluate cell migration using scratch, and analyse apoptosis using fluorescent microscopy. Additionally, GC–MS analysis was performed to identify chemical compounds and in-silico analysis was conducted to predict the most potent anticancer compounds in the extracts. Only the maceration method using n-hexane (F4) and ethyl acetate extract (F5) showed cytotoxic activity against HuH7, HepG2, and MDA-MB-231. The F4 showed cytotoxic activity with IC₅₀ values of 93.9, 121.7, and 142.2 µg/mL, respectively. Similarly, the F5 demonstrated cytotoxic effects with IC₅₀ values of 144 µg/mL for HuH7, 74 µg/mL for HepG2, and 150 µg/mL for MDA-MB-231. The wound-healing assay demonstrated that the F5 extract significantly reduced the migration of HepG2 cells. Based on the acridine orange/ethidium bromide and DAPI staining, the F5 fraction exhibited apoptotic potential in HepG2 cells. In GC–MS analysis, 33 phytocompounds were identified in the F5 fraction, from which 9 compounds were chosen for drugability studies. Among them, phytol and oleic acid were the only ones that showed no hepatotoxicity, neurotoxicity, nephrotoxicity, cardiotoxicity, immunotoxicity, or carcinogenicity. Molecular docking studies revealed that phytol and oleic acid had the strongest binding affinities of −8.5 and −7.6 kcal/mol against 6OOY, respectively. This is followed by −7.2 kcal/mol (phytol) and −7.1 kcal/mol (oleic acid) against 1UOM. The phytochemicals identified in the F5 fraction demonstrate significant potential as therapeutic candidates for liver cancer, necessitating further investigation through additional studies.

Covalent organic frameworks (COFs) are typical porous organic polymers with crystalline porous architectures, which are provided with the merits of high surface area, low density, and high structural as well as functional adjustability. In comparison to conventional COFs with single-stranded linkages, ladder-type COFs are a very unique class of COFs which are usually connected by rings (conjugated or non-conjugated). Given the structural characteristics of ladder-type COFs, they overcome the shortcomings of conventional COFs and possess the advantages of rigid backbone, extended π-conjugation length, extraordinary chemical/thermal stability, and high conductivity. However, compared to the well-investigated conventional COFs, ladder-type COFs are paid little attention. Gaining ladder-type COFs quickly and efficiently encounters great challenges. Ladder-type COFs, containing a wide array of structures and functionalities, have recently come into focus. Especially for energy conversion and storage, they show great potential with excellent performances. Accordingly, this article systematically summarizes the recent developments in constructing ladder-type COFs. Initially, the topology design is generally introduced. Subsequently, the synthesis of ladder-type COFs is discussed in detail. It shows how to rationally select organic reactions and monomers and how to manipulate experimental conditions to construct ladder-type COFs bearing different functional groups and different conjugation lengths. Ultimately, this paper offers a concise outlook on the prospective advancements in the synthesis of ladder-type COFs.

Colistin used to be regarded as the last-resort treatment for the infection caused by multidrug-resistant gram-negative bacteria. However, the emergence and widespread of mcr-1 seriously reduce the clinical effectiveness of colistin, constituting a serious threat to global public health. Due to the difficulties in the development of new antibiotics, restoring antibiotic susceptibility with adjuvants is undoubtedly a rational option. As naturally occurring compounds, resveratrol and capsaicin could be extracted from many natural plants, due to various antimicrobial properties, they have received significant attention. Herein, the synergistic activity of colistin combined with resveratrol and capsaicin against mcr-1-positive Escherichia coli were investigated by checkerboard method and time-killing assays. The in-depth molecular mechanisms were elucidated by scanning electron microscopy, fluorescent probe experiments, transcriptome and metabolome analysis. Molecular docking assay was taken to analyse potential interactions between resveratrol/capsaicin and MCR-1. Finally, the in vivo efficacy of combined therapy against mcr-1-positive Escherichia coli was assessed. Our results demonstrated that colistin combined with resveratrol and capsaicin acted synergistic activity against mcr-1-positive Escherichia coli both in vivo and in vitro. Further mechanistic studies showed that the combined therapy could exacerbate cell membrane damage, increase membrane permeability, disrupt the homeostasis of PMF, inhibit ATP synthesis, and efflux pump activity. In addition, the combined therapy could inhibit central carbon metabolism, and reduce tricarboxylic acid cycle and oxidative phosphorylation. Moreover, molecular docking assay revealed resveratrol/capsaicin could bind to MCR-1 stably. Our study indicated that colistin in combination with resveratrol and capsaicin as a novel therapy could provide a trustworthy foundation to establish the treatment plan for mcr-1-positive Escherichia coli.

Photosynthesis system Ⅱ (PS Ⅱ) inhibitors can block electron transport and disrupt plant photosynthesis and are used as herbicides. In order to develop new and effective PS II inhibitors, the lead structure lawsone was first found with remarkable herbicidal activity based on a virtual screening strategy, and its derivatives were designed and synthesized. The results of herbicidal activity evaluation showed that most of the compounds could achieve more than 80 % inhibitory effect on roots and stems of Portulaca oleracea at a dose of 100 μg/mL. Meanwhile, compound 4d showed more than 90 % inhibition on the stem of P. oleracea and on the root of Echinochloa crusgalli, which were superior to lawsone (64.9 and 67.6 %) and atrazine (63.6 and 65.9 %), respectively. Interestingly, 4d exhibited 100 % post-emergence herbicidal activity to Amaranthus retroflexus and Abutilon theophrasti at a dosage of 300 g a.i./ha, which was similar to atrazine but superior to lawsone. In addition, compound 4d can affect the efficiency of the photochemical process and strong bind PS II D1 protein. It revealed that compound 4d can be used as a promising PS II D1 inhibitor. This study provides a promising lead compound for developing new PS II inhibitors.

The pervasive presence of mercury in water and cosmetics poses significant health risks, necessitating the development of a method for the in-situ monitoring and extraction of mercury ions. This study introduces a novel approach utilizing Mesoporous Silica Nanotubes (MSNTs) with a unique worm-like structure, providing an expansive surface area ideal for the adsorption of a Hg²⁺ ion chromophore, N,N,N,N′-Tetramethyl-4,4′-diaminobenzophenone. This configuration enables rapid and visible detection of toxic mercury, with a color transition from yellow to green that is easily discernible by the naked eye. The sensitivity of the Mercury nano-sensor (MNS) is remarkably high, with a detection limit of 1.9 × 10^-8 M as determined by digital image analysis, and 4.9 × 10^-8 M via spectrophotometric methods—both well below the WHO guidelines for drinking water. The MNS’s low detection threshold, coupled with its reusability after simple regeneration, positions it as an effective tool for preliminary water testing. The findings suggest that the MNS, requiring only 10 mg for measurements, offers a promising solution for the real-time visualization of mercury ions, enhancing safety measures in water and cosmetic products.

The study proposed the removal of Brilliant Green, a cationic dye, by adsorption process from wastewater solution utilizing a low-cost adsorbent such as Nutraceutical Industrial Pepper Seed Spent (NIPSS). The study comprises an investigation of the parametric influence on the adsorption process. The parameters identified are pH, dye concentration, process temperature, quantity of the adsorbent, and particle size. The study of statistics found from experiments was carried out by incorporating Freundlich, Brouers-Sotolongo, Langmuir, Toth, Sips, Jovanovic, and Redlich-Peterson isotherm models. The adsorption kinetics were determined by implementing pseudo-first-order and second-order models, diffusion film models, and Dumwald-Wagner and Weber-Morris models. The experimental adsorption capacity q_e was found to be about 130 mg/g. This value was closest to the maximum adsorption of 144.6mg/g predicted by the Brouers-Sotolongo isotherm which had a correlation coefficient (R²) of 0.998. The adsorption kinetics data was confirmed to be a pseudo-second-order model. The change in free energy, enthalpy change, and entropy change were vital thermodynamic factors in concluding that adsorption is almost spontaneous and endothermic process. Change in enthalpy (ΔH°) reduced value indicates the physical nature of the process. The adsorption of BG dye on the adsorbent surface was authenticated by FTIR spectroscopy and SEM imaging. A Central Composite Design (CCD) Quadratic model under Response Surface Methodology (RSM) was implemented for statistical optimization of adsorption capacity for the five parameters studied, namely, time, temperature, concentration of the dye, weight of the adsorbent, and pH. Software Design Expert 7.0 was used to evaluate 3D contour plots. The process of optimization yielded a value of 350 mg/g. Thus, incrementing the adsorption process by 84.2 %. The study provides insights on various dye and adsorbent interaction possibilities and derives that NIPSS is an efficient adsorbent to extract BG dye from wastewater solutions.

To prevent and control the methane/coal dust compound explosion disaster, the APP-diatomite composite powder inhibition of methane/coal dust compound explosion experiments were carried out in the self-constructed pipe network. The composite powder was characterized by scanning electron microscopy and X-ray photoelectron spectroscopy. The change rules of methane/coal dust composite explosion pressure and flame propagation velocity were analyzed using different compounding ratios of powders in several monitoring points. The results show that the composite powder exhibited irregular morphology and the APP powder is uniformly distributed on the diatomite porous mesh structure. When the APP loading on the surface of diatomite is 40 wt%, composite powder has the best effect on explosion suppression, with the peak maximum explosion overpressure and the peak maximum flame propagation velocity reduced by 71.5 % and 92.2 %, respectively. The explosion suppression mechanism is revealed through pyrolysis properties, explosion products, and chain reaction.

This study evaluates the application of supercritical carbon dioxide chelation extraction technology for treating heavy metal ions (Zn²⁺ and Cr³⁺) in drilling fluid waste. Through a combination of experimental and molecular dynamics simulation methods, the influence of extraction parameters (temperature, pressure, duration, and chelating agents) on the extraction efficiency are investigated. Findings show that increased duration and pressure significantly improve extraction efficiency, while temperature has a complex effect, initially increasing efficiency but plateauing and slightly decreasing at higher temperatures. The optimum extraction condition with pressure of 220 bar, temperature 348.15 K and an extraction duration of 70 min using ethylene diamine tetraacetic acid (EDTA) as the chelating agent has been determined. Importantly, molecular simulation analysis revealed that citric acid outperforms EDTA in terms of Zn²⁺ and Cr³⁺ aggregation by forming larger aggregates with greater numbers of molecules while reducing overall aggregate count. Furthermore, optimization of extraction pressure in the EDTA system shows potential benefits. These results suggest that supercritical carbon dioxide chelation extraction technology has strong potential for environmentally friendly and reliable waste management in the drilling industry. This study represents a significant step forward in developing sustainable solutions for heavy metal removal from drilling fluid waste.

Protein fibrillation is a crucial process in the onset of several neurodegenerative and retinal disorders due to the formation of cytotoxic species. Because of their capacity to prevent protein aggregation, small molecules have the potential to be appointed as therapeutic agents. Here, we examined the inhibitory impacts of the piperonal as a carbaldehyde-derived compound on the fibrillation process of α-synuclein and underlying cytotoxicity against neuron-like (PC12) and human retinal pigment epithelial (RPE) (ARPE-19) cells. The results showed that the values of k_app and lag time of α-synuclein were modulated with piperonal. Moreover, ANS fluorescence intensity analysis indicated that piperonal can inhibit the formation of a molten global (misfolded) state of α-synuclein, which is a necessary step in the formation of protein amyloid fibrils. Congo red absorption and circular dichroism spectroscopy also verified the inhibition of β-sheet structure formation after treatment of α-synuclein with piperonal. Furthermore, theoretical studies displayed that piperonal interacts with VAL40:HN, GLU35:O, VAL40, and LYS43 amino acid residues and forms a complex. In addition, cytotoxicity assays demonstrated that piperonal as a safe small molecule could mitigate the induced cytotoxicity by α-synuclein amyloids in PC12 and ARPE-19 cells through reduction of ROS and Bax/Bcl2 mRNA overexpression. Taken together, these outcomes showed that piperonal as a natural aldehyde compound can inhibit α-synuclein fibrillation and underlying cytotoxicity which may be developed for potential therapeutic applications in vivo.