Chemical Papers最新文献

{"title":"First-principles study of the structural and functional properties of cubic Sc2GaRu","authors":"Harikishan Sangani,&nbsp;Mitesh B. Solanki,&nbsp;Bhavik Thacker,&nbsp;Vaishnavi Patil,&nbsp;Trilok Akhani","doi":"10.1007/s11696-026-04915-1","DOIUrl":"10.1007/s11696-026-04915-1","url":null,"abstract":"<div><p>A first-principles study of the cubic full-Heusler alloy Sc₂GaRu is presented to investigate its structural, electronic, mechanical, thermophysical and transport properties. The compound is found to be structurally stable and exhibits a metallic ground state with multiple bands crossing the Fermi level. Elastic analysis confirms mechanical stability and ductile behavior. Thermophysical properties show typical temperature- and pressure-dependent trends consistent with metallic systems. Transport results indicate high electrical conductivity accompanied by a relatively low Seebeck coefficient, reflecting limited thermoelectric efficiency. The study demonstrates that Ga substitution in Sc₂-based Heusler alloys significantly modifies the electronic structure, leading to multi-band metallic behavior. These findings establish Sc₂GaRu as a stable metallic system relevant for thermal management and high-temperature electronic applications.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 8","pages":"8801 - 8816"},"PeriodicalIF":2.5,"publicationDate":"2026-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148782885","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Heat-treatment-driven microstructural evolution and performance enhancement in sintered Ti–12Mo–3Ag alloy","authors":"Hala E. Kattarya,&nbsp;Lamiaa Z. Mohamed,&nbsp;Emad El-Kashif,&nbsp;Hayam A. Aly","doi":"10.1007/s11696-026-04989-x","DOIUrl":"10.1007/s11696-026-04989-x","url":null,"abstract":"<div><p>This research examines the effects of heat treatment (HT) on the degradation of the microstructure, mechanical characteristics, and corrosion susceptibility of sintered Ti-12Mo-3Ag (T12Mo3A) alloy. The alloy was subjected to heat treatment (solution treatment) at 950 °C, followed by aging at 500 °C, to compare its properties with those of the as-sintered state. X-ray diffraction (XRD) analysis revealed that the predominant phase of the alloy was β-phase with a body-centered structure, accompanied by minor quantities of α-phase and intermetallic AgTi₃. The alloy exhibited a 93.3% densification and 6.7% porosity, with a measured density of 5.0048 g/cm³, compared with its theoretical density of 5.364 g/cm³. The Vickers hardness in the as-sintered condition was 360 ± 10 HV. After solution treatment, it increased to 368 ± 4 HV. Following aging at 500 °C, the hardness significantly rose to 511 ± 6 HV, indicating precipitation hardening. According to potentiodynamic polarization studies, the corrosion rate (CR) in simulated body fluid (SBF) decreased from 30.18 μm/y at 0 g HA to 1.49 μm/y at 3 g HA at room temperature. In saline solution, the CR diminished from 17.30 μm/y to 1.58 μm/y with an equivalent quantity of HA. Using electrochemical impedance spectroscopy (EIS), we confirmed that the stability of the passive film improved, with the polarization resistance (Rp) increasing to 405 kΩ in SBF and 137 kΩ in saline at optimal HA concentrations. Corrosion resistance enhanced with aging, as evidenced by surface morphology and EDX analysis, which revealed a homogeneous, dense oxide layer enriched with Mo and Ag. The T12M3A alloy aged at 500 °C demonstrated significant potential as a biomedical implant material due to its superior hardness, electrochemical stability, and surface integrity.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 9","pages":"10005 - 10025"},"PeriodicalIF":2.5,"publicationDate":"2026-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148871866","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Performance assessment of eco-reinforced polyester composites: Syzygium cumini seed powder & Epipremnum aureum stem microfiber fillers across mechanical, tribological, and absorption tests","authors":"M. Seenivasan,&nbsp;T. Venugopal,&nbsp;R. Thirumalai,&nbsp;P. Satishkumar","doi":"10.1007/s11696-026-04898-z","DOIUrl":"10.1007/s11696-026-04898-z","url":null,"abstract":"<div><p>This study investigates the development and performance evaluation of eco-reinforced polyester composites fabricated using <i>Epipremnum </i><i>aureum</i> stem fiber as reinforcement and <i>Syzygium cumini</i> seed powder as biofiller in both untreated and silane-treated forms. The composites were prepared with a constant 40 vol% fiber content and varying biofiller loadings of 2, 4, and 6 vol% to examine their influence on mechanical, tribological, and moisture absorption characteristics. The results revealed a notable enhancement in the overall mechanical and surface properties compared to the neat polyester matrix. The incorporation of fiber and biofiller significantly improved tensile, flexural, impact, and hardness values, while the silane-treated fillers further strengthened interfacial adhesion between the hydrophilic natural reinforcements and the hydrophobic polyester matrix. Among all specimens, PPTS2 with 4 vol% filler exhibited superior mechanical performance, achieving a tensile strength of 145 MPa, flexural strength of 155 MPa, impact energy of 5.28 J, and hardness of 84 Shore-D. This improvement was attributed to the strong chemical bonding and efficient stress transfer facilitated by silane treatment, which ensured uniform filler dispersion and reduced void formation. The tribological and moisture absorption studies revealed that PPTS3 with 6 vol% filler possessed the best wear resistance and lowest water absorption, with a specific wear rate of 0.017 mm³/Nm, coefficient of friction of 0.22, and water absorption of 1.42%. These results indicate the dense surface structure, enhanced interfacial adhesion, and reduced hydrophilicity achieved through silane modification. SEM analysis supported these findings, showing a transition from a brittle fracture in the neat polyester to strong fiber-filler-matrix bonding in the treated composites. The combined results confirm that the silane-treated <i>S. cumini</i> filler effectively enhances interfacial compatibility, mechanical stability, wear resistance, and moisture durability, making these composites suitable for sustainable structural and semi-structural applications.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 8","pages":"8595 - 8606"},"PeriodicalIF":2.5,"publicationDate":"2026-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The synthesis and characterization of novel lawsone derivative molecules: their influence on cell lysis in ovarian granulosa cells in vitro","authors":"Mehmet Emin Cakmak,&nbsp;Kiymet Berkil Akar,&nbsp;Caglar Berkel,&nbsp;Oguz Özbek,&nbsp;Meliha Burcu Gürdere","doi":"10.1007/s11696-026-04930-2","DOIUrl":"10.1007/s11696-026-04930-2","url":null,"abstract":"<div><p>In the present study, five novel lawsone derivative molecules (<b>3a–e</b>) containing a 2-phenylthiazole unit were synthesized for the first time, and the structures of these compounds were confirmed based on their spectral data (¹H–NMR, ¹³C–NMR and FT–IR). Besides, the influence of these new lawsone derivative molecules on cell lysis (plasma membrane rupture) were studied in ovarian granulosa cells (KGN cell line) by comparing the levels of LDH (lactate dehydrogenase) released from these cells <i>in</i> <i>vitro</i>. LDH release is widely used as a quantitative marker of plasma membrane damage and lytic cell death, allowing the reliable assessment of cytotoxic or cytoprotective effects. We found that molecule <b>3b</b> slightly increased cell lysis by ~ 8%, whereas molecule <b>3e</b> decreased cell lysis by ~ 10% in granulosa cells, suggesting that some of these lawsone derivative molecules might be able to modulate plasma membrane rupture in these cells <i>in vitro</i>. These findings indicate that small structural variations among the lawsone derivatives may lead to distinct biological responses. Further studies are needed to determine molecular mechanisms by which these new lawsone derivative molecules influence plasma membrane rupture and lytic cell death in ovarian granulosa cells. Comprehensive mechanistic studies are required in order to identify their potential biological significance and therapeutic relevance.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 8","pages":"8969 - 8976"},"PeriodicalIF":2.5,"publicationDate":"2026-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148782886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Cyclo[18]carbon as a tunable anode platform for sodium-ion batteries: insights from halide doping","authors":"Ayesha Shakeel,&nbsp;Khadija Anwar,&nbsp;Khurshid Ayub,&nbsp;Saleem Iqbal,&nbsp;Shaimaa A. M. Abdelmohsen,&nbsp;Meznah M. Alanazi,&nbsp;Javed Iqbal","doi":"10.1007/s11696-026-05013-y","DOIUrl":"10.1007/s11696-026-05013-y","url":null,"abstract":"<div><p>The increasing demand for low cost and economically viable energy storage systems has intensified interest in sodium-ion batteries as an alternative to lithium-ion systems. Despite this progress, the development of high-performance anode materials with large surface area and a suitable cell potential remains a major challenge. Although cyclocarbons have been explored as dopants to facilitate reversible metal-ion diffusion in carbon-based electrodes, their application as primary anode materials remains unexplored. In this DFT study, we examine sp-hybridized cyclocarbon C₁₈ as a promising anode material and suggest a strategy to improve its electrochemical performance. The adsorption energies of sodium-ion in the gaseous and solvent phases were − 21.98 and − 57.78 kcal mol^− 1, indicating stable charge-discharge species but insufficient cell potential. To solve this issue, halide dopants (F, Cl, and Br) were introduced to the electronic environment of C₁₈Na. The adsorption energies for Na/F@C₁₈, Na/Cl@C₁₈, and Na/Br@C₁₈ neutral complexes are − 15.61, − 10.67, and − 12.19 kcal mol^− 1, respectively. Notably, Na/Br@C₁₈ shows an appropriate cell voltage of 0.92 V in the gaseous phase and 0.62 V with toluene, falling within a desirable range for NIB anodes. Overall, this study shows that cyclocarbon-based anode nanomaterials are a low-cost, tunable, and high-performance platform for developing next-generation sodium-ion energy storage technologies.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 9","pages":"10395 - 10404"},"PeriodicalIF":2.5,"publicationDate":"2026-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148871867","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of PH, ionic strength, and temperature on AZO dye adsorption by ethylenediamine-modified SBA-15","authors":"Niveditha S,&nbsp;Venkatachalam K","doi":"10.1007/s11696-026-04997-x","DOIUrl":"10.1007/s11696-026-04997-x","url":null,"abstract":"<div><p>Dye effluents from both food and clothing are extremely dangerous to human health. Adsorption can eliminate hazardous organic dyes present in industrial wastewater. Recyclable adsorbents are advantageous due to the difficulties associated with carbon recycling. Santa Barbara Amorphous-15 (SBA-15)/ethylenediamine was synthesized, characterized, and employed to adsorb food dyes (brilliant blue, allura red, and tartrazine) in water. The removal effectiveness of the adsorbent was evaluated concerning pH, dosage, concentration, time, and temperature. The adsorption mechanism was examined using pseudo-first and pseudo-second-order kinetics. Interactions between adsorbent and adsorbate were investigated utilizing the Langmuir, Freundlich, and Temkin isotherms. A comparison and analysis of the thermodynamic parameters (∆G°, ∆S°, and ∆H°) was made. The Langmuir adsorption isotherm confirmed monolayer adsorption for all dyes, with R² values equal to 0.99. The kinetics adhered to a pseudo-second-order model, with a rate constant (k₂) ranging from 0.00002 to 0.0002 g/mg min. The adsorption capabilities of SBA-15/ethylenediamine for tartrazine, brilliant blue, and allura red were equal to 694.44, 429.18, and 884.95 mg/g, respectively. At 25 °C, the adsorption wass characterized by a decrease in entropy, a negative enthalpy, and a decrease in free energy. The recyclability of adsorbent was confirmed for three cycles, demonstrating no substantial decrease in removal efficiency. The SBA-15/ethylenediamine nanocomposite efficiently eliminated water-soluble dyes from food and textile effluents.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 9","pages":"10147 - 10176"},"PeriodicalIF":2.5,"publicationDate":"2026-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148871868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Examining expired clopivas experimentally and theoretically as a corrosion inhibitor for mild steel in an acidic environment","authors":"Sahil,&nbsp;Akhil Saxena,&nbsp;Jasdeep Kaur","doi":"10.1007/s11696-026-04993-1","DOIUrl":"10.1007/s11696-026-04993-1","url":null,"abstract":"<div><p>The repurposing of Clopivas, an expired multipart pharmaceutical drug, as a durable and efficient corrosion inhibitor for mild steel in 0.5 M H₂SO₄ is reported for the first time in this work. The use of an expired medication with several active ingredients (clopidogrel and aspirin), whose synergistic adsorption behavior improves corrosion protection and addresses pharmaceutical waste management, is what makes this work unique. Weight loss measurements, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), adsorption isotherm analysis, Fourier transform infrared spectroscopy (FTIR), and density functional theory (DFT) calculations were used to assess the corrosion inhibition performance. According to experimental findings, expired Clopivas exhibits exceptional inhibitory efficiency, surpassing 94% at 3000 ppm, with efficiency steadily increasing with inhibitor concentration. According to PDP investigations, the inhibitor suppresses both cathodic hydrogen evolution reactions and anodic metal dissolution reactions, hence functioning as a mixed-type inhibitor. The creation of a protective adsorbed coating on the mild steel surface is confirmed by the EIS results, which demonstrate a notable improvement in charge transfer resistance and improved capacitive behavior. The Langmuir isotherm is followed by the adsorption of the inhibitor, indicating monolayer adsorption. Functional groups including heteroatoms (N, O, and S) are confirmed to be involved in surface adsorption by FTIR analysis, and strong interactions between inhibitor molecules and the iron surface are supported by DFT simulations. Expired Clopivas reduces mild steel corrosion by a synergistic adsorption mechanism including both chemical and physical interactions, according to the combined experimental and computational results. This study offers a workable waste-to-value approach for corrosion protection in acidic environments by introducing expired multipart prescription medications as a novel and promising class of environmentally benign corrosion inhibitors.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 9","pages":"10083 - 10103"},"PeriodicalIF":2.5,"publicationDate":"2026-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148871869","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Vonoprazan-loaded zinc oxide nanoparticles for the effective treatment of gastric ulcers: development, optimisation, in vitro and in vivo preclinical evaluation","authors":"Dibyalochan Mohanty,&nbsp;Banda Shalini,&nbsp;Ameeduzzafar Zafar,&nbsp;Gnyana Ranjan Parida,&nbsp;Angilicam Avinash,&nbsp;Mohd Yasir,&nbsp;Md Ali Mujtaba,&nbsp;Mohammad Khalid","doi":"10.1007/s11696-026-04844-z","DOIUrl":"10.1007/s11696-026-04844-z","url":null,"abstract":"<div><p>Zinc oxide nanoparticles (ZnONPs) are a promising drug carrier for the treatment of various diseases due to their biocompatibility, nontoxicity, and controlled-release properties. The present study aimed to develop vonoprazan (VP)- loaded ZnONPs (VP-ZnONPs) for the treatment of gastric ulcers. The VP-ZnONPs were prepared by direct precipitation and optimized using the design expert software. The zinc acetate dihydrate, sodium hydroxide, and stirring speed were selected as independent variables, whereas particle size, entrapment efficiency, and polydispersity index (PDI) were selected as responses. The optimized VP-ZnONPs (VP-ZnONPsopt) showed a particle size of 156.3 ± 3.4 nm, 0.371 ± 0.004 of PDI, 81.74 ± 0.50% of EE%, and 21.1 mV (negative) zeta potential. FTIR spectra of VP-ZnONPsopt showed no interaction between the drug and the formulation ingredient. Differential scanning calorimetry study showed the drug was encapsulated into the NPs matrix. The VP-ZnONPsopt exhibited a sustained VP release profile over an extended period (95.5% at 24 h). VP-ZnONPsopt exhibited significantly higher ex-vivo intestinal permeation than pure VP-dispersion. The VP-ZnONPsopt exhibited significantly higher (<i>p</i> &lt; 0.05) anti-ulcer activity (62.15%) than pure VP-dispersion (37.08%). Based on the findings, strategies to enhance VP delivery include drug-induced gastroprotection, improved gastric localization, and sustained release.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 7","pages":"7679 - 7696"},"PeriodicalIF":2.5,"publicationDate":"2026-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148553182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Computational analysis of Cs2TlInY6 (Y = Cl, Br, I) halide double perovskites: insights from TB-mBJ and Hartree–Fock (HF) calculations for energy-related properties","authors":"Asad Ullah,&nbsp;Sohail Ahmad,&nbsp;Muhammad Sanaullah Shah,&nbsp;Muhammad Yar Khan,&nbsp;Muhammad Sami Rashad,&nbsp;Muhammad Zakria,&nbsp;Yang Mu,&nbsp;Xie Fei,&nbsp;Hou Ruoxian","doi":"10.1007/s11696-026-04935-x","DOIUrl":"10.1007/s11696-026-04935-x","url":null,"abstract":"<div><p>First-principles calculations were performed using the WIEN2k package to find out the physical characteristics and structural stability of Cs-based halide double perovskites Cs₂TlInY₆ (where Y = Br, Cl, and I) within the context of density functional theory (DFT) and ab-initio molecular dynamics (AIMD). These compounds exhibit structural stability, as indicated by their negative values of formation and ground state energies. The electronic band structure reveals that Cs₂TlInY₆ (Y = Cl, Br and I) exhibits semiconducting behavior with indirect band gaps of 3.52 eV, 2.46 eV, and 1.31 eV, respectively. These band gaps were computed via a modified Becke-Johnson approximation methodology, while the corresponding values via Hartree–Fock (HF) are 4.70 eV, 3.21 eV, and 2.67 eV, which is known for its improved accuracy in band gap analysis. The compounds exhibit strong optical conductivity and maximum output in the visible spectrum of solar energy, alongside peak absorption for all materials, although reflectivity is reduced in this region, it renders them appropriate for optoelectronic and solar cell applications. All compounds exhibit mechanical and dynamic stability with a brittle characteristic; moreover, the covalent bonding nature is supported by Cauchy pressure, which yields negative values. Additionally, the thermoelectric properties of these compounds were analyzed to evaluate their potential for thermoelectric applications. The double perovskites exhibit favorable power factors, Seebeck coefficients, and electronic figures-of-merit, indicating their promise as p-type thermoelectric materials for further investigation.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 8","pages":"9045 - 9060"},"PeriodicalIF":2.5,"publicationDate":"2026-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advanced pyrene-based semi-interpenetrating polymer hydrogels for high-efficiency removal of brilliant green dye: kinetics, thermodynamics, and adsorption isotherms","authors":"Soleen S. Ahmed","doi":"10.1007/s11696-026-04933-z","DOIUrl":"10.1007/s11696-026-04933-z","url":null,"abstract":"<div><p>The development of sustainable and cost-effective adsorbent materials with high removal efficiency is critical for advanced wastewater treatment; therefore, in this study, two novel pyrene-based semi-interpenetrating polymer hydrogels (H1 and H2) were synthesized as efficient adsorbents for the removal of the toxic Brilliant Green (BG) dye from aqueous solutions. Specifically, the hydrogels were prepared via an oxidation–reduction polymerization route, where hydrogel H1 was synthesized using acrylamide, glycol methacrylate, and <i>N</i>-propan-2-ylprop-2-enamide, while hydrogel H2 was obtained by incorporating PePnUMA-co-AMPS into the same monomeric system. Subsequently, batch adsorption experiments were conducted to systematically investigate the effects of initial BG concentration, solution pH, adsorbent dosage, and contact time on adsorption performance. Notably, maximum adsorption efficiency was achieved at pH 7, where the positively charged BG molecules strongly interacted with the functional groups on the hydrogel surfaces; consequently, effective dye removal was achieved under ambient conditions and near-neutral pH without pre-treatment, thereby highlighting the practical applicability of the developed materials. Under optimized conditions (25 mg adsorbent, 400 mg/L BG dye solution, pH 7, 60 min contact time, 25 °C), the BG dye adsorption capacities (q_e) of H1 and H2 hydrogels reached 635.40 and 618.07 mg g⁻¹, with corresponding removal efficiencies (%R) of 85.92% and 86.21%, respectively. Furthermore, adsorption isotherm analysis revealed that both hydrogels follow a monolayer adsorption mechanism according to the Langmuir model, with maximum adsorption capacities (q_max) of 2000 mg g⁻¹ for H1 and 1429 mg g⁻¹ for H2, and correlation coefficients (R²) of 0.9837 and 0.9963, respectively. In addition, kinetic studies demonstrated that the pseudo-second-order model provided the best fit to the experimental data, suggesting chemisorption as the dominant adsorption mechanism. Moreover, thermodynamic evaluations confirmed that the adsorption process was spontaneous and endothermic, with favorable performance across a wide temperature range. Overall, these results demonstrate that both H1 and H2 hydrogels exhibit excellent potential as efficient, scalable adsorbents for removing BG dye from wastewater.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 8","pages":"9015 - 9031"},"PeriodicalIF":2.5,"publicationDate":"2026-05-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783241","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}