Search Results (8)

Polyethylene terephthalate-derived fluorescent carbon quantum dots (PET-CQDs) are promising nanomaterials for sensing and biomedical uses, yet their biological interactions after metal doping require careful evaluation. Here, we report an in silico assessment of pristine and dual-site (via graphitic [G] and carbonyl [O]) metal-doped PET-CQDs (Ca, Mg, Fe, Zn) using molecular docking against eight human proteins: HSA (distribution), CYP3A4 (metabolism), hemoglobin (systemic biocompatibility), transferrin (uptake), GST (detoxification), ERα (endocrine regulation), IL-6 (inflammation), and caspase-3 (cytotoxic signaling) together with ADMET profiling and DFT–docking correlation analysis. Docking affinities were compared with controls and ranged from −7.8 to −10.4 kcal·mol⁻¹ across systems, with binding stabilized by π–π stacking, hydrogen bonding and metal–ligand coordination involving residues such as arginine, tyrosine and serine. Importantly, top-performing CQD variants differed by target: PET-CQDs, MgG_PET-CQDs and FeG_PET-CQDs were best for GST; ERα interacted favorably with all doped variants; IL-6 bound best to CaO_PET-CQDs and FeO_PET-CQDs (≈−7.1 kcal·mol⁻¹); HSA favored CaG_PET-CQDs (−10.0 kcal·mol⁻¹) and FeO_PET-CQDs (−9.9 kcal·mol⁻¹); CYP3A4 bound most strongly to pristine PET-CQDs; hemoglobin favored MgG_PET-CQDs (−9.6 kcal·mol⁻¹) and FeO_PET-CQDs (−9.3 kcal·mol⁻¹); transferrin favored FeG_PET-CQDs; caspase-3 showed favored binding overall (pristine −6.8 kcal·mol⁻¹; doped −7.4 to −7.6 kcal·mol⁻¹). ADMET predictions indicated high GI absorption, improved aqueous solubility for some dopants (~18.6 mg·mL⁻¹ for Ca-O/Mg-O), low skin permeability and no mutagenic/carcinogenic flags. Regression analysis showed frontier orbital descriptors (HOMO/LUMO) partially explain selective affinities for ERα and IL-6. These results support a target-guided selection of PET-CQDs for biomedical applications, and they call for experimental validation of selected dopant–target pairs. Full article

This study presents the development of a novel Cu–Co–O-codoped graphitic carbon nitride (g-C₃N₄) catalyst for efficient peroxymonosulfate (PMS) activation to degrade sulfamethoxazole (SMX) in aqueous environments. The synthesized Cu–Co–O-g-C₃N₄ catalyst demonstrated exceptional catalytic performance, achieving 90% SMX removal within 10 min—significantly outperforming pristine g-C₃N₄ (14%) and O-doped g-C₃N₄ (22%)—with a reaction rate constant of 0.63 min⁻¹. The superior activity was attributed to the synergistic effects of Cu-Co bimetallic doping and oxygen incorporation, which enhanced the active sites, stabilized metal ions, and minimized leaching. Mechanistic studies revealed a dual-pathway degradation process: (1) a radical pathway dominated by sulfate radicals (SO₄•⁻) and (2) a non-radical pathway driven by singlet oxygen (¹O₂), with the latter identified as the dominant species through quenching experiments. The catalyst exhibited broad pH adaptability and optimal performance at neutral to alkaline conditions. Characterization techniques (XRD, FTIR, XPS) confirmed successful doping and revealed that oxygen incorporation modified the electronic structure of g-C₃N₄, improving charge carrier separation. This work provides a sustainable strategy for antibiotic removal, addressing key challenges in advanced oxidation processes (AOPs), and highlights the potential of multi-heteroatom-doped carbon nitride catalysts for water purification. Full article

Sodium-ion batteries (SIBs) have emerged as a viable alternative to lithium-ion technologies, with carbon-based anodes playing a pivotal role in addressing key challenges of sodium storage. This review systematically examines hard carbon as the premier anode material, elucidating its dual sodium storage mechanisms: (1) sloping capacity (2.0–0.1 V vs. Na⁺/Na) from surface/defect adsorption and (2) plateau capacity (<0.1 V) via closed-pore filling and pseudo-graphitic intercalation. Through critical analysis of recent advancements, we establish that optimized hard carbon architectures delivering 300–400 mAh/g capacity require precise coordination of pseudo-graphitic domains (d₀₀₂ = 0.36–0.40 nm) and <1 nm closed pores. This review ultimately provides a design blueprint for next-generation carbon anodes, proposing three research frontiers: (1) machine learning-guided microstructure optimization, (2) dynamic sodiation/desodiation control in sub nm pores, and (3) scalable manufacturing of heteroatom-doped architectures with engineered pseudo-graphitic domains. These advancements position hard carbon anodes as critical enablers for high-performance, cost-effective SIBs in grid-scale energy storage applications. Full article

In this work, we study the influence of reduced graphene oxide (rGO) on the morphology and chemistry of highly porous N,S-doped carbon cryogels. Simultaneously, we propose an easily upscalable route to prepare such carbons by adding graphene oxide (GO) in as-received suspended form to the aqueous solution of the ι-carrageenan and urea precursors. First, 1.25–5 wt% GO was incorporated into the dual-doped polymer matrix. The CO₂, CO, and H₂O emitted during the thermal treatments resulted in the multifaceted modification of the textural and chemical properties of the porous carbon. This facilitated the formation of micropores through self-activation and resulted in a substantial increase in the apparent surface area (up to 1780 m²/g) and pore volume (up to 1.72 cm³/g). However, adding 5 wt% GO led to overactivation. The incorporated rGO has an ordering effect on the carbon matrix. The evolving oxidative species influence the surface chemistry in a complex way, but sufficient N and S atoms (ca. 4 and >1 at%, respectively) were preserved in addition to the large number of developing defects. Despite the complexity of the textural and chemical changes, rGO increased the electrical conductivity monotonically. In alkaline oxygen reduction reaction (ORR) tests, the sample with 1.25 wt% GO exhibited a 4e⁻ mechanism and reasonable stability, but a higher rGO content gradually compromised the performance of the electrodes. The sample containing 5 wt% GO was the most sensitive under oxidative conditions, but after stabilization it exhibited the highest gravimetric capacitance. In Li-ion battery tests, the coulombic efficiency of all the samples was consistently above 98%, indicating the high potential of these carbons for efficient Li-ion insertion and reinsertion during the charge–discharge process, thereby providing a promising alternative for graphite-based anodes. The cell from the 1.25 wt% GO sample showed an initial discharge capacity of 313 mAh/g, 95.1% capacity retention, and 99.3% coulombic efficiency after 50 charge–discharge cycles. Full article

Single-phase tungsten-doped lanthanum molybdenum oxide (La₂MoWO₉) ceramic powders were synthesized using the complex polymerization technique. Porous ceramic pellets were obtained by thermally removing graphite, which served as a pore former. The porous pellets were then impregnated with molten eutectic lithium-sodium-potassium carbonates. The energy dispersive X-ray analysis and scanning electron microscopy (FEG-SEM) images of the external and fracture surfaces of the La₂MoWO₉-(Li,Na,K)₂CO₃ composite dual-phase membrane revealed the percolation of the carbonate mixture through the pores. Electrochemical impedance spectroscopy measurements conducted at temperatures below and above the melting point of the eutectic carbonate composition demonstrated the contributions of oxygen and carbonate ions to the ionic conductivity of the dual membrane. The electrical conductivity of the carbonate ions within the membrane was continuously monitored for over 1300 h with negligible degradation, implying that the membrane could be used for long-term monitoring of CO₂ without aging effects. A comparison of FEG-SEM images taken before and after this endurance test suggested minimal fouling, indicating that the membrane could potentially replace similar zirconia- and ceria-based composite membranes. Full article

Substantial improvement is needed in efficient and affordable decolorization and disinfection methods to solve the issues caused by dyes and harmful bacteria in water and wastewater. This work involves the photocatalytic degradation of methylene blue (MB) as well as gram-negative and gram-positive bacteria by cobalt-doped tin oxide (Co-SnO₂) nanoparticles (NPs) and Co-SnO₂/SGCN (sulfur-doped graphitic carbon nitride) nanocomposites (NCs) under sunlight. The coprecipitation approach was used to synthesize the photocatalysts. Maximum methylene blue (MB) photocatalytic degradation was seen with the 7% Co-SnO₂ NPs compared to other (1, 3, 5, and 9 wt.%) Co-SnO₂ NPs. The 7% Co-SnO₂ NPs were then homogenized with different amounts (10, 30, 50, and 70 weight %) of sulfur-doped graphitic carbon nitride (SGCN) to develop Co-SnO₂/SGCN heterostructures with the most significant degree of MB degradation. The synthesized samples were identified by modern characterization methods such as FT-IR, SEM, EDX, UV-visible, and XRD spectroscopies. The Co-SnO₂/50% SGCN composites showed a significant increase in MB degradation and degraded 96% of MB after 150 min of sunlight irradiation. Both gram-negative (E. coli) and gram-positive (B. subtiles) bacterial strains were subjected to antibacterial activity. All samples were shown to have vigorous antibacterial activity against gram-positive and gram-negative bacteria, but the Co-SnO₂/50% SGCN composites exhibited the maximum bactericidal action. Thus, the proposed NC is an efficient organic/inorganic photocatalyst that is recyclable and stable without lowering efficiency. Hence, Co-SnO₂/50% SGCNNC has the potential to be employed in water treatment as a dual-functional material that simultaneously removes organic pollutants and eradicates bacteria. Full article

In this study, both vanadium and copper elements were anchored on graphitic carbon nitride (gCN) (denoted as V/Cu/gCN) via a thermal decomposition process as a novel nanosheet photocatalyst for the removal of monocrotophos (MCP). The prepared nanosheet features were studied by utilizing XRD, UV–Visible absorption spectrometry, PL, FE-SEM, TEM, and XPS techniques. These analytical techniques revealed the successful formation of direct Z-scheme heterojunctions of V/Cu/gCN nanosheets. The dopant materials significantly enhanced the electron–hole separation and enhanced the removal rate of MCP as compared with bulk gCN. The investigation of effective operating conditions confirmed that a higher removal of MCP could be obtained at a doping concentration of 0.3 wt% and a catalytic dosage of 8 mg with 80 min of visible-light irradiation. The generation of various reactive radicals during the degradation process of the photocatalyst was observed using a scavenging treatment process. Additionally, the scavenging process confirmed that e⁻, OH•, h⁺, and O₂^•− played a major role in MCP degradation. The direct Z-scheme dual-heterojunction mechanism, as well as the possible pathway for the fragmentation of MCP by the V/Cu/gCN nanosheet photocatalyst, was derived in detail. This research article provides a novel perspective on the formation of excellent semiconductor photocatalysts, which exhibit enormous potential for environmental treatments. Full article

Metal phosphides have recently emerged as promising electrocatalysts for hydrogen evolution reaction (HER). Herein, we report the synthesis of ruthenium diphosphide embedded on a dual-doped graphitic carbon by pyrolyzing chitosan beads impregnated with ruthenium chloride and phosphorus pentoxide. The as-synthesized RuP₂@N-P-C displays a good electrocatalytic activity in acidic, neutral and alkaline media. We show that the HER activity of the electrocatalyst can be tuned by varying the concentration of Li⁺ cations. Co-diffusion effects on H⁺ exerted by Li⁺ on HER in the porous carbon matrix have been observed. Full article