Journal of the Iranian Chemical Society最新文献

Tin sulfide (SnS) semiconductors have become emerging sensor materials for the electrochemical sensing of heavy metals in trace amounts due to their supportive electrochemical properties. This study reports the synthesis, characterization of SnS/rGO composites and sensing of mercury and lead ions in an aqueous solution. SnS/rGO composites with the proper loading of rGO concentration were synthesized using simple solvothermal method and applied for sensing the heavy metals of mercury and lead ions. The synthesized samples were characterized by XRD, FE-SEM, TEM, FTIR and Raman spectroscopy to study the structure and morphology of the samples. Cyclic voltammetry and AC impedance were used to characterize the samples for electrochemical detection of toxic metals Hg and Pb ions. The XRD analysis reveals that the average crystallite of SnS/rGO nanoplates is in the range of 56–67 nm and was confirmed by TEM. FE-SEM analysis reveals the formation of nanoplates on rGO sheets. Raman spectroscopy and FTIR analysis confirm the presence of rGO and the composition of the prepared sample. The electrochemical sensing of SnS and SnS/rGO nanoplates with graphite powder in 0.1 M KOH solution showed good reversibility and was applied for sensing of HgCl₂ and PbCl₂ with a quick response time of 2 s. The LOD for Hg and Pb ions was found to be 47.3–65.3 ppm, respectively. All the prepared electrodes of SnS and SnS/rGO composites could be effectively supported by the electrochemical sensing response to HM ions in alkali medium.

Remdesivir (RDV) is a drug that exhibits broad-spectrum antiviral against RNA viruses, and so this drug could be an appropriate therapeutic candidate. To increase the therapeutic efficiency of Remdesivir, nanoparticles are employed to prolong bioavailability and facilitate targeted delivery in the body and the drug transportation. In this study, we employed classical atomistic molecular dynamics simulations to characterize the adsorption properties of this compound on Ag nanoparticles. The simulation results show that Remdesivir molecules adsorb onto the surface of Ag nanoparticles in a size-dependent manner, so that smaller AgNPs exhibit a higher degree of Remdesivir coating than larger ones. The results also show that the coating of Remdesivir molecules on nanoparticles can improve their pharmacokinetic properties in vivo studies. These findings provide a basis for designing nanoparticle-based drug delivery systems.

A lot of research is focused on creating novel chemotherapeutic medicines since cancer is becoming a more serious concern. In the present investigation, we have developed some quinolinyl–benzothiazolyl linked with amino acids and their anticancer efficacy against melanoma and breast cancer cells evaluated. All the compounds evaluated for in silico studies towards the target protein Human estrogen receptor (PDB: 2IOK). Out of all the evaluated aminoacids conjugates four compounds 5b, 5 k, 5f, and 5d exhibited remarkable docking scores and were chosen for in vitro anticancer studies. Out of which 5 k, and 5f exhibited good anticancer properties with the IC₅₀[μg/mL] of 22.9 and 22.3 respectively against the melanoma cell line and 5b exhibited good anticancer properties with the IC₅₀[μg/mL] of 61.0 against breast cancer cell.

Graphical Abstract

New β-lactams was synthesized by reacting theophylline-7-acetic acid with various Schiff bases in dry CH₂Cl₂ under a nitrogen atmosphere, utilizing the Mukaiyama reagent. The resulting β-lactams featured the theophylline moiety situated at the one position of the four-membered β-lactam ring. This approach represents a formal [2 + 2] cycloaddition of an imine to a novel ketene containing a theophyllinyl group. Remarkably, this chemoselective reaction exclusively yielded the cis-isomer of the β-lactam compound as the sole product. Subsequently, the newly synthesized compounds were evaluated for their antibacterial properties. The findings revealed that compounds 5f and 5g exhibited noteworthy antibacterial effects among the tested β-lactams. Specifically, compound 5f demonstrated activity against Staphylococcus aureus PTCC 2923, while compound 5g displayed activity against both Gram-negative bacteria and Staphylococcus epidermidis PTCC 1435.

In this investigation, a zinc coordination polymer of 5-aminoisophtalic acid [Zn(AIP)(DMSO)]_n called (Zn-CP) was employed as a drug delivery system. The surface of Zn-CP was modified with an acidic SO₃H group, and its capability for doxorubicin (Dox) delivery was compared to unmodified Zn-CP. The stability, specificity, cellular solubility, and loading/release process as well as the capability of inducing late apoptosis in MCF7 cells were improved through the pegylation of Dox-loaded carriers. The morphology of the designed carriers was evaluated using different analytical methods. Functionalizing the surface of Zn-CP with an acidic group increases its water solubility, drug loading, controlled release, and biocompatibility. The Dox loading and loading efficiency for Zn-CP@PEG were 28.8, and 40.6%, respectively, whereas, for Zn-CP-SO₃H@PEG were 33.0, and 51.2%, respectively. Zn-CP-SO₃H has a higher capacity of Dox loading than Zn-CP and Dox@Zn-CP-SO₃H@PEG has more control over the drug release as well as better specificity toward the cancerous cells of MCF7 than the surface unmodified carrier. The cytotoxicity study shows that modification of the Zn-CP surface with acidic groups of SO₃H decreases its cytotoxicity. The Dox@Zn-CP@PEG and Dox@Zn-CP-SO₃H@PEG exhibited high cytotoxic activity against cancer cells of MCF7, and remarkably low toxicity to normal breast cells of MCF10.

Developing new agents for treating bacterial and fungal resistance remain a top priority in developing countries because the antibiotic resistance is one of the major threats to human health. Thus, the current work was designed to synthesize a new series of chromene and pyrazole derivatives based on 2-hydroxy-5-((4-nitrophenyl) diazenyl) benzaldehyde moiety. The structure of the designed derivatives was confirmed using different spectroscopic techniques (FT-IR and NMR) and elemental analysis. Most of the designed derivatives were evaluated against six standard microbial strains. Compounds 3, 12, 13 and 16 showed excellent antimicrobial activity against S. faecalis with MIC (3.91) µg/ml closed to Penicillin G and MBC values (15.6, 31.3) µg/ml. In addition, chromene 14 exhibited an inhibition effect better than the positive control Penicillin G with MIC (1.95) µg/ml and MBC value (31.3) µg/ml.

The presence of pharmaceuticals in water matrices has been a major problem because of its expected adverse consequences on oceanic biological systems and human well-being. Levofloxacin (Levo), a persistent and widely used antibiotic, has emerged as a significant pollutant in water samples. Its resistance to conventional water treatment processes poses challenges for its removal. This work focuses on preparing and characterizing a magnetic nanocomposite adsorbent (Fe₃O₄@TiO₂@Zeolite) designed to efficiently remove levofloxacin from the water samples, leveraging the Fe₃O₄ properties for easy separation and recovery of the adsorbent, TiO₂ for its adsorption capacity, while zeolite’s porous structure and high ion-exchange capacity improve adsorption efficiency. Together, these materials create a robust, multifunctional composite with promising applications for pollutant removal from aqueous environments. The adsorption of Levo antibiotic exhibited excellent fitting to both the pseudo-second-order model (R² = 1) and the Langmuir isotherm (R² = 0.9240) together with the Freundlich isotherm (R² = 0.999). Furthermore, the thermodynamic analysis indicated that the adsorption process of Levo was spontaneous and endothermic. This implies that the interaction between Levo and the Fe₃O₄@TiO₂@Zeolite nanocomposite, developed in this study, is favourable and requires energy input. The Fe₃O₄@TiO₂@Zeolite nanocomposite demonstrated a promising efficacy in the removal of Levo from wastewater samples, with removal percentage ranging between 92.43 and 96.95%. The prepared Fe₃O₄@TiO₂@Zeolite composite material could be regenerated up to the 5th cycle. This highlights the potential of the nanocomposite as an effective remedy for the purification of wastewater contaminated with Levo.

Recently, transition metal-catalyzed decarboxylative cross-coupling reactions have become a novel and crucial category of organic transformations. These reactions have practical applications in constructing carbon–carbon bonds. This study presents the efficient catalytic activity of Ag/ZnO nanoparticles that were synthesized and used as a heterogeneous catalyst in the carbon–carbon bond formation starting from carboxylic acids. By utilizing the heterogeneous Ag catalyst system, the Suzuki–Miyaura coupling reaction was effectively carried out in an aqueous environment, resulting in the formation of coupling products with high yields in a relatively short period of time. The Ag/ZnO nanoparticles were thoroughly characterized using various techniques, and inductively coupled plasma. The findings affirm that the prepared catalyst, comprising Ag/ZnO nanoparticles, exhibits exceptional efficiency and selectivity, with the added advantage of being recyclable multiple times without a significant decline in catalytic activity.

The current study describes the synthesis and complete characterization of three new copper coordination polymers, namely {[Cu₂(tyr)₂(Him)₃(Cl)₂(H₂O)₂].H₂O}_n 1, {[Cu₂(bdc)₂(Him)₃(H₂O)₄].H₂O}_n 2, and {[Cu(btec)(Him)₂].3H₂O}_n 3, where L-tyr = L-tyrosine, H₂bdc = terephthalic acid, H₄btec = pyromellitic acid, and Him = imidazole. They were characterized using various analytical techniques such as elemental analysis, FT-IR, UV–Vis, magnetic measurements, molar conductance, MM2 theoretical calculations, TG/DTA, and XRPD. Additionally, the catalytic activity of the complexes toward H₂O₂ decomposition was evaluated as well as their biological activity was tested against bacteria and fungi. The complexes exhibit an octahedral geometry around the copper centers. Thermogravimetric analysis confirmed the thermal stability of the complexes and their proposed structures. The results of the properties, including magnetism, activation energy (E*), nanoparticle sizes, catalytic activity and biological activity of these complexes were computed and discussed. The functional groups, hydrogen bonding, and copper ions significantly influenced the structures, physical properties and biological activity. The findings suggest that complex 1 is a promising candidate as a catalyst and medical transport, while complexes 2 and 3 are promising candidates as porous materials.

The cationic interaction of binary metals in zeolite frameworks is a motivating field. The Isomorphous substitution of Ti and Ce in the framework of NaY zeolite has been achieved through post-synthesis treatment. Dealumination of the zeolite was accomplished by EDTA treatment, followed by the incorporation of three distinct ratios of Ce [(4.5–9) × 10⁻⁴ M] and Ti [(1.7–5.1) × 10⁻⁵ M] for decoration on the zeolite framework. This process was carried out in two steps based on their solubility in the corresponding solvents. The stability of the zeolite framework was assessed using metal loading. It was observed that as the amount of metals in the zeolite increased, the d spacing of the crystal lattice changed. Besides, certain metals were introduced at higher loading into the framework, while others acted as exchangeable cations in the extra-framework of the zeolite network. Spectroscopic studies were conducted to characterize the modified zeolite, and the catalysts were performed for their catalytic activity in the photodegradation of 4-NP. The optimum conditions were obtained with various parameters as: 0.01 g catalyst, 20 μL H₂O₂, 4-NP concentration: 3 × 10⁻⁴ M, pH = 5.5, and t = 120 min. In addition, the study of optimum conditions in the pH = 5 and isoelectric point = 5.5 indicated that the removal of 4-NP was achieved using both the absorption and photodegradation processes. The synthesized catalysts show good activity in the photodegradation process. This study also investigated the synergistic effect of Ce and Ti on photodegradation efficiency. The mineralization of 4-NP was confirmed by COD experiments, resulting in an efficiency of 68.76%. The catalyst was recoverable and maintained its catalytic activity after six runs. The kinetic of the reaction was obtained based on Hinshelwood’s equation which was pseudo-first-order. In addition, the band gap of the catalyst was also calculated. This finding is particularly important because it indicates that the catalyst has the potential for industrial application and is cost-effectiveness.