BMC Chemistry最新文献

Construction of fast ion-conduction channels is of great significance for the performance breakthrough of Li⁺ solid state electrolytes (LiSSE). It not only can significantly improve target ion transfer, but also enhance the Li⁺ migration number. This study reports a new type of solid electrolyte of metal-organic framework (MOF) covalently modified by Li⁺ ionic liquids derived from zwitterion APS group, namely UiO-66-APS⋅xLiTFSI (zwitterion APS = amino-1-propane sulfonate, LiTFSI = bis (trifluoromethane) sulfonimide lithium salt). Wherein, the Li⁺ ionic liquid moiety (APS⋅xLiTFSI) is confined and arranged along the order channel (< 1 nm) within the framework of UiO-66 via covalent-bonded APS, leading to infinite paths and abundant lithium ion hopping sites for fast Li⁺ transmission. The enhancement of the Li⁺ conduction of UiO-66-APS⋅2.7LiTFSI is over 2 orders magnitude higher than that of the counterpart H₂BDC-APS⋅2.7LiTFSI ionic liquid within a wide temperature range. This material exhibits excellent ionic conductivity, with the conductivity of 3.5 × 10⁻⁴ S cm⁻¹ and a lithium-ion transference number (tLi⁺) of 0.83 at room-temperature. The conductivity follows an Arrhenius-type temperature dependence, increasing linearly with temperature to reach 1.33 × 10⁻² S cm⁻¹ at 100 °C. Structure and component effect on the new type of LiSSEs are investigated and fully characterized, and the features of non-flammability, non-leakage of high safety with high conduction are discussed.

In order to address ecological and significant health concerns, this study investigates a unique water treatment solution using photocatalysis and antibacterial applications. A ZIF-8 based nanocomposite is synthesized via solvothermal formation by incorporating Bi₂S₃ into ZIF-8, followed by photodegradation of antibiotic doxycycline hydrochloride (DOX) and bactericidal approach against Gram-stained bacteria C. indologenes and S. aureus. The structure and properties of the composite are confirmed using all the characterization methods including P-XRD, FTIR, UV-DRS, SEM, BET, XPS, AC conductivity, dielectric constant and impedance study. The photodegradation efficiency is evaluated under varying parameters such as time, pH of the solution, catalyst dose and DOX concentration, with an impressive 81.43% degradation observed under visible light irradiation at pH 7 and a TOC of 64% in 90 min. This process follows Z-scheme mechanistic pathway and remains stable over four consecutive cycles. In addition, the composite demonstrates strong antibacterial activity against the bacteria. These findings suggest that the incorporation of Bi₂S₃ to ZIF-8 creates a synergistic effect, forming a robust heterogenous catalyst that is effective for both water purification and antibacterial applications.

Pomegranate peels are a rich source of polyphenolic compounds, particularly ellagitannins and gallotannins, which were utilized as natural substrates for the synthesis of a novel catalyst. A magnetic oxidizing material was developed by covalently anchoring β-CD/MoO₃ onto a magnetic support derived from pomegranate peels. This catalyst exhibits high efficiency, low toxicity, and magnetic recoverability, making it environmentally friendly and reusable. Its novelty lies in its application in two key organic transformations: the dehydrogenation of 2,3-dihydro-1 H-perimidines and the selective oxidation of pyridines. The composite was thoroughly characterized using FT-IR, XRD, SEM, EDS mapping, TGA, and VSM. The combination of plant-based origin, magnetic properties, and dual catalytic activity highlights the catalyst's unique contribution to sustainable and green synthetic methodologies.

A novel series of seven carbazole-aniline hybrids (5a-5 g) were designed, synthesized, and evaluated as potential anticancer agents. Among them, compound 5e, bearing a para-methoxy substituent, emerged as the most potent candidate, demonstrating significant cytotoxicity against breast cancer (MCF-7) and colon cancer (SW480) cell lines with IC₅₀ values of 26.4 ± 2.54 µM and 34.5 ± 1.69 µM, respectively. Notably, its activity against MCF-7 was comparable to the reference drug Erlotinib (IC₅₀ = 39.3 µM). Structure-activity relationship studies revealed that electron-donating groups significantly enhance cytotoxic effects, while electron-withdrawing substitutions diminish activity. Molecular docking studies showed that compound 5e binds effectively to the EGFR active site with a binding energy of -8.6 kcal/mol, forming key hydrogen bonds with critical residues Asp831 and Thr766. Molecular dynamics simulations further confirmed the stability of the 5e-EGFR complex. In silico ADME predictions indicated favorable drug-like properties for all compounds, consistent with Lipinski's Rule of Five. Based on its potent cytotoxicity, strong target binding, and optimal pharmacokinetic profile, compound 5e is identified as a promising lead candidate for further development as an EGFR-targeting anticancer agent.

In this work, we present the beneficial roles of chaotropic agents (salts) in the development of fast, simple, and cost-effective reversed-phase high-performance liquid chromatography with a Diode Array detector. Inclusion of the presence of strong chaotropic salts in mobile phase in their liquid chromatography determinations showed significant simplifications and shortening of run time of analysis. The roles of the two strongest chaotropic agents, salts, potassium hexafluorophosphate and sodium perchlorate in two different and independent research cases of two molecules of active pharmaceutical ingredients, cisplatin and pheniramine maleate, each with its specific related compounds and their pharmaceutical dosage forms, confirmed their highly applicable presence and usability in drug analytical method development. Two separate experiments, using different variable sets, were successfully conducted and presented, one with the strongest chaotropic anion -PF₆^- interacting with cisplatin analyte and alkyl-bonded C18 and C8 reversed phase and the second with the ClO₄^- chaotropic anion with pheniramine analyte and phenyl-bonded phase. Proposed methods were linear in the concentration range 5-30 µg/ml with R² > 0.9990 for the determination of pheniramine and 0.0125-0.75 µg/ml with R² > 0.9997 for the determination of cisplatin. All validation parameters met the acceptability criteria for linearity, accuracy and precision. The summary impacts of the beneficial roles of chaotropic agents express green analysis in the presence of impurities and symmetrical peak for the proposed HPLC methods, cost-efficiency calculated and manifested by run time, organic chemical consumption, equipment duration of exploitation and time labor reduction.

Understanding the interactive behaviour of essential nutrients with ubiquitous stimulants is pivotal for predicting their fate and functionality in biological systems, pharmaceutical formulations and aqueous chemical environments. In this context, the study examines the molecular interactions landscape of L-ascorbic acid (LAA) in the presence of Caffeine (CAF) in aqueous medium, emplyoying an integrated volumetric-spectroscopic framework over the temperature range 293.15-313.15 K. Density derived thermodynamical parameters, including limiting partial molar volume ([Formula: see text]), partial molar expansibility ([Formula: see text]), Helper's constants [Formula: see text], transfer volumes and ion-pair volumetric interaction coefficients, were systematically evaluated to elucidate the nature, strength and temperature dependence of solute-solute and solute-solvent interactions. The consistently positive [Formula: see text] and [Formula: see text] values, together with Hepler's criterion, enhanced solvent organization through strong hydrogen bonding and hydrophilic-hydrophobic interactions. Negative transfer volume and ion-pair volumetric interaction coefficient, however, indicate restricted binary association but dominate triplet interactions at higher concentrations, emphasizing cooperative solvation effects. These thermodynamic interpretative results are strongly reinforced by FTIR spectroscopic evidence, wherein characteristic shifts in [Formula: see text] and [Formula: see text] vibrational bands confirm specific hydrogen-bond-mediated interactions of both solutes with the aqueous matrix. Collectively, this study delivers a unified thermodynamic and spectroscopic narrative of nutrient-stimulant coexistence, offering molecular implications relevant to the rational design of functional beverages, nutraceutical formulations and predictive models of nutrient-drug interactions in complex aqueous systems.

The COVID-19 pandemic has emphasized the critical need for novel therapeutic approaches. Favipiravir (FAV), an antiviral drug primarily used for influenza, has shown promising potential in treating COVID-19 and other RNA viral infections. A precise, reliable, and rapid fluorimetric method was established for the quantification of FAV in pharmaceutical formulations, even in the presence of its acid-induced degradation product. The acid-induced degradation product (ADP) of FAV was prepared through forced degradation, followed by characterization using IR and MS. The method leveraged the intrinsic fluorescence characteristics of FAV, exhibiting a linear response within the concentration range of 5-80 ng/mL at 416.5 nm using the first-order derivative processing. Key methodological parameters were optimized to enhance sensitivity, achieving detection and quantification limits of 1.6 ng/mL and 4.8 ng/mL, respectively. All calibration and fluorimetric measurement steps were performed in distilled water without the use of organic solvents or buffers, making the analytical determination phase entirely aqueous and environmentally benign. This method was effectively applied to FAV in both pure drug and pharmaceutical dosage forms. Compared with previously reported fluorimetric methods, it offers the unique combination of aqueous-based operation, stability-indicating capability, and superior analytical performance. Additionally, its environmental sustainability was evaluated using GAPI, AGREE, and RGB12 metrics, which confirmed its green and eco-friendly attributes.