Chemical Papers最新文献

{"title":"Efficient thorium (IV) removal from cerium-containing solution using hydrogels of polyacrylic acid and polyethylenimine as sustainable interpolymer system","authors":"Ainamgul Utesheva,&nbsp;Talkybek Jumadilov,&nbsp;Juozas Vidas Gražulevičius,&nbsp;Yelemessova Zhanerke,&nbsp;Khaidar Tassibekov,&nbsp;Khimersen Khuangul,&nbsp;Aldan Imangazy","doi":"10.1007/s11696-025-04553-z","DOIUrl":"10.1007/s11696-025-04553-z","url":null,"abstract":"<div><p>The increasing demand for rare earth elements (REEs) necessitates sustainable methods for thorium (Th) removal from REE-containing solutions. This study introduces an interpolymer system of polyacrylic acid (hPAA) and polyethylenimine (hPEI) hydrogels for selective Th(IV) sorption from Ce(III)-containing solutions. The system (hPAA@hPEI, molar ratios X:Y of ionogenic groups) was activated via remote interaction in aqueous media. ICP-AES analysis showed 92% Th(IV) removal at pH 2.65 after 24 h from a Th/Ce mixture (initial [Th] = [Ce] = 5.0 mg/L), with Th uptake of 4.416 mg/g in hPEI (corresponding to a metal-to-ligand M/L ratio of 1:4) and negligible Ce sorption (0.014 mg/g). SEM–EDS confirmed 1.95 wt.% Th in hPEI, while FTIR revealed N–H shifts (from 3270 to 3250 cm⁻¹) indicating Th-N coordination. Sorption followed the Langmuir isotherm (q_max = 5.12 mg/g, K_L = 0.82 L/mg, R² = 0.99), indicative of monolayer chemisorption on homogeneous amine sites. The conditional stability constant (log K_c) was estimated at ~ 5.2, with a detection limit (LOD) of 0.1 mg/L. This eco-friendly system offers potential for immobilizing radioactive Th, enhancing REE purification sustainability.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2803 - 2817"},"PeriodicalIF":2.5,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11696-025-04553-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752581","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hybrid approach for enhanced synthesis and efficiency prediction of sulfur–nitrogen co-doped Fe2O3 nanostructures in methylene blue dye removal processes","authors":"V. S. Anusuya Devi,&nbsp;K. A. Jayasheel Kumar,&nbsp;Rakesh Chandrashekar,&nbsp;Jagannath J. Kadam","doi":"10.1007/s11696-025-04416-7","DOIUrl":"10.1007/s11696-025-04416-7","url":null,"abstract":"<div><p>The synthesis of sulfur–nitrogen co-doped Fe₂O₃ nanostructures is crucial for enhancing dye removal efficiency in wastewater treatment. However, optimizing the synthesis process to achieve accurate predictions of dye removal performance remains a challenging task due to the complex interactions between parameters. This research presents a new approach for synthesizing sulfur–nitrogen co-doped Fe₂O₃ nanostructures by hybridizing the similarity-navigated graph neural network (SNGNN) with the Namib beetle optimization (NBO) algorithm, hereafter referred to as the SNGNN-NBO method. The main aim of this work is to accurately predict the methylene blue dye removal efficiency. The SNGNN method is employed to predict the dye removal percentage, ensuring that the synthesis process is optimized for enhanced nanostructure properties. The NBO algorithm is used to optimize the weight parameter of the SNGNN method. The proposed technique is evaluated using MATLAB and compared with various existing approaches, such as ant colony optimization (ACO), artificial neural network-genetic algorithm (ANN-GA), and adaptive particle swarm optimization (APSO). The proposed method achieves a low error of 0.1% and a high dye removal percentage of 98%, outperforming the existing methods. This demonstrates the effectiveness of the SNGNN-NBO approach in accurately predicting and optimizing dye removal efficiency, offering a comprehensive solution for the synthesis of sulfur–nitrogen co-doped Fe₂O₃ nanostructures.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 1","pages":"615 - 631"},"PeriodicalIF":2.5,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147340192","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":"Synthetic and anti-obesity potential of some fused heterocyclic compounds: a comprehensive update","authors":"Pooja M. Kadu,&nbsp;Utpal J. Dongre,&nbsp;Pankaj V. Ledade,&nbsp;Sami H. Mahmood,&nbsp;Trimurti L. Lambat","doi":"10.1007/s11696-025-04537-z","DOIUrl":"10.1007/s11696-025-04537-z","url":null,"abstract":"<div><p>Obesity is a complex health issue that has become a global pandemic due to its association with a range of diseases, including cardiovascular diseases, certain types of cancer, type 2 diabetes mellitus, chronic inflammation and high blood pressure. An extreme accumulation of fats in adipose tissue occurs when triacylglycerol (lipid) is broken down into mono-acyl glycerol and free fatty acids, which are then stored as energy in the adipose tissue. This can lead to severe obesity and dangerous human health issues. Accordingly, intensive research work was conducted in an effort to mitigate the problem of obesity and combat its consequences. Specifically, several research groups have carried out research work in search of synthetic anti-obesity drugs that are non-toxic, environmentally friendly, and can be produced from sustainable sources. Certain organic heterocyclic compounds containing hetero atom such as nitrogen, oxygen, and sulphur have demonstrated potential in combating obesity. In particular, quinazolinones, bis-indole derivatives, and di-spiroheterocycles are synthetic heterocyclic compounds that exhibit a wide range of biological activities such as anti-inflammatory effects, anti-obesity properties and the ability to lower lipid levels. These synthetic compounds, as well as specific natural heterocyclic compounds exhibit lipid inhibitory activity. Thus, this review article emphasizes the significance of both synthetic and natural heterocyclic compounds in combating obesity, along with various other biological activities.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2041 - 2062"},"PeriodicalIF":2.5,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752422","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":"π-spacer engineering of metal-free PFCH dyes: a computational approach towards efficient indoor–outdoor DSSCs","authors":"Javeria Saeed,&nbsp;Riaz Hussain,&nbsp;Muhammad Durair Sajjad Haider,&nbsp;Aniqa Irshad,&nbsp;Maqbool Ahmad,&nbsp;Ajaz Hussain,&nbsp;Riaz Hussain,&nbsp;Khurshid Ayub,&nbsp;Saleh S. Alarfaji","doi":"10.1007/s11696-025-04517-3","DOIUrl":"10.1007/s11696-025-04517-3","url":null,"abstract":"<div><p>This study introduces a computational design of π-spacer modified PFCH (Phenazine-Furan-Carbazole-Heterocycle) dyes <b>(PFCH-α–PFCH-ε)</b>, derived from a reference <b>PFCH-Ref</b> dye. This is a low-cost and scalable approach for next-generation Dye-Sensitized Solar cells (DSSCs). Using Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) (B3LYP/6-311G(d,p), the electronic, optical, and photovoltaic characteristics were comprehensively investigated. Structural analysis confirmed enhanced planarity in the modified dyes, as reflected by reduced Molecular Planarity Parameter (MPP) and Span Deviation from the Plane (SDP) values. Meanwhile, Reduced Density Gradient (RDG) and Non-Covalent Interaction (NCI) analyses highlighted the dominant stabilizing interactions. Frontier Molecular Orbital (FMO) results revealed narrowed band gaps (E_g), with <b>PFCH-δ</b> exhibiting the lowest E_g (1.99 eV), supporting efficient charge transport. UV–Vis spectra displayed notable bathochromic shifts, with <b>PFCH-δ</b> achieving the longest λ_max (694 nm), and attaining the strongest Light-Harvesting Efficiency (LHE) = 0.6. Charge migration pathways, confirmed through Transition Density Matrix (TDM), Charge Density Difference (CDD), and electron–hole overlap, established efficient donor–π–acceptor charge transfer in <b>PFCH-δ</b> and <b>PFCH-β</b>. Furthermore, reorganization energies (λ_<i>e/h</i>) and charge transfer integrals (t_<i>e/h</i>) identified <b>PFCH-δ</b> as the most effective carrier transporter. Photovoltaic parameters reinforced its superior performance, with the lowest binding energy (0.21 eV), highest open-circuit voltage (V_oc = 1.75 V), Fill Factor (FF = 0.92), and favorable short-circuit current density. Molecular Electrostatic Potential (MEP) mapping confirmed directional charge transfer, while adsorption studies demonstrated robust dye-TiO₂ interaction, validating strong surface anchoring. Collectively, π-spacer engineering of PFCH dyes enables multifunctionality (DSSC sensitizers and nonlinear optical materials), reduces energy losses via spontaneous ΔG_-inject and low-energy photon harvesting, and ensures spectral adaptability under both solar and artificial light. Hence, it enhances stability through improved hardness, charge transfer directionality, and dye lifetime.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture><span>The alternative text for this image may have been generated using AI.</span></div></div></figure></div></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2307 - 2332"},"PeriodicalIF":2.5,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752552","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":"Investigating the incubation time of the water splitting reaction between aluminum powder and water","authors":"Abolfazl Khezri,&nbsp;Shahram Raygan,&nbsp;Ahmad Ali Amadeh","doi":"10.1007/s11696-025-04538-y","DOIUrl":"10.1007/s11696-025-04538-y","url":null,"abstract":"<div><p>The increasing reliance on fossil fuels has prompted a search for sustainable energy alternatives. Hydrogen production via aluminum-water splitting reactions is emerging as a promising solution for this problem. However, the protective oxide layer on aluminum inhibits the reaction under ambient conditions. This study investigates the splitting reaction between aluminum powder and water, focusing on the incubation time and the transformations occurring in the oxide surface layer. Experimental analyses were conducted to assess the transformations of the alumina layer over various retention times in water at isothermal temperatures of 35 °C and 45 °C, utilizing techniques such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and Fourier-transform infrared spectroscopy (FTIR/ATR). A mathematical model was developed to estimate the incubation time based on the quantitative changes in hydroxyl group concentrations. Results indicated that the incubation time of aluminum powder at isothermal temperatures of 45 °C and 35 °C, using the custom-built equipment, was 160 min and 3000 min, respectively. According to the proposed mathematical model, these values were 159.5 min and 3064 min, respectively, showing a relatively good consistency with the results obtained from experimental tests. The intensity of peaks corresponding to associated hydroxyl groups at wavenumbers 2897 cm⁻¹ and 2980 cm⁻¹ increased significantly with longer retention times in water, such that the intensity of peaks for the sample retained for 3 h in water at a temperature of 45 °C showed a 40% increase over the intensity for 1 h. Prolonged exposure to water enhances the formation of surface hydroxyl groups, facilitating the breakdown of the alumina layer and subsequent hydrogen release.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2647 - 2659"},"PeriodicalIF":2.5,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752598","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":"Synthesis of a new molecule, its effect on bacterial growth, and its use in potentiometric sensor applications for the selective, reliable and low cost determination of Cr3+ ions","authors":"Oguz Özbek,&nbsp;Abdulkadir Akyasan,&nbsp;Caglar Berkel,&nbsp;Kiymet Berkil Akar","doi":"10.1007/s11696-025-04545-z","DOIUrl":"10.1007/s11696-025-04545-z","url":null,"abstract":"<div><p>In this study, a new molecule, 2,3-dihydronaphtho[2,3-b][1,4]oxathiine-5,10-dione, as an alternative to commercial ionophores, was synthesized. Following the characterization of the synthesized molecule, polymer membrane ionselective sensors were prepared using it as an ionophore. The prepared sensors exhibited very high selectivity against Cr(III) ions among fifteen different cationic species. The newly developed Cr(III)–selective sensors had a very low detection limit of 8.34 × 10⁻⁸ mol L⁻¹ and Nernstian response of 20.4 ± 1.02 mV/decade in a wide concentration range of 1.0 × 10⁻¹–1.0 × 10⁻⁷ mol L⁻¹. The newly proposed sensor had also a wide pH working range (5.0–9.0), very fast response time (7s) and good reproducibility. Besides, the sensor was shown to be able to determine Cr(III) ions in various samples with very high recoveries. Finally, the antimicrobial properties of the newly synthesized molecule against certain bacterial species were investigated using disk diffusion technique, and the growth of particular species was found to be inhibited by this molecule to a certain extent.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2715 - 2727"},"PeriodicalIF":2.5,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752504","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":"Understanding the behaviour of lecithin in white chocolate: a molecular dynamics perspective","authors":"Vasudha D. Patil,&nbsp;Mazharuddin A. Quazi,&nbsp;Sandhya R. Shewale,&nbsp;Debashis Kundu","doi":"10.1007/s11696-025-04522-6","DOIUrl":"10.1007/s11696-025-04522-6","url":null,"abstract":"<div><p>Lecithin, a natural emulsifier, stabilizes white chocolate and enhances its processing. It primarily consists of phosphatidylcholine, phosphatidylinositol, phosphatidylethanolamine, and phosphatidic acid. However, its molecular-level interactions in white chocolate remain unclear. To address this, a molecular dynamics (MD) simulation investigates lecithin at 0, 0.5, and 1 wt%, with and without water. Analysis of radial distribution functions (RDF) reveals that 0.5 wt% lecithin promotes favourable interactions with sucrose, lactose, and water molecules. Hydrogen bonding (H-bond) analysis indicates that sucrose and lactose form comparable interactions with lecithin, reflecting their similar affinity toward the emulsifier at the molecular level. The study identifies 0.5 wt% as the optimal concentration for improving white chocolate’s quality and stability. MD simulations employ the Optimized Potentials for Liquid Simulations (OPLS) fsorce field to model the interactions between lecithin and the various components of white chocolate. These simulations are conducted using the GROMACS open-source software. In addition, molecular docking is performed to explore how lecithin interacts with proteins in the system. To evaluate lecithin’s behavior at different concentrations, both structural properties, such as RDF and H-bond, and transport properties, like mean square displacement (MSD), are examined. The simulation results offer an in-depth understanding of how lecithin interacts at the molecular level with white chocolate ingredients, ultimately identifying the most effective lecithin concentration (wt%) for optimal performance.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2407 - 2427"},"PeriodicalIF":2.5,"publicationDate":"2025-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752525","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":"Study on the effect of electronic carriers on extracellular electron transfer microbial corrosion in carbon starvation environment","authors":"Yanyu Cui, Xihao Pan, Yu Li, Qingmiao Ding, Junda Lv","doi":"10.1007/s11696-025-04446-1","DOIUrl":"https://doi.org/10.1007/s11696-025-04446-1","url":null,"abstract":"","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 1","pages":"1037-1053"},"PeriodicalIF":0.0,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147331394","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":"Green synthesis of magnesium oxide nanoparticles using Aeschynomene indica leaf extract and their application in the photocatalytic degradation of methyl orange","authors":"Sajda S. Affat,&nbsp;Denys Snigur","doi":"10.1007/s11696-025-04529-z","DOIUrl":"10.1007/s11696-025-04529-z","url":null,"abstract":"<div>\u0000 \u0000 <p>An eco-friendly synthetic method is proposed for the preparation of magnesium oxide nanoparticles (MgONPs) using Aeschynomene indica leaf extract as a bio-template. The morphological, functional, and structural characteristics of the synthesized MgONPs were investigated using various analytical techniques, including FT-IR, UV-Vis spectroscopy, scanning electron microscopy (SEM), X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDX), and atomic force microscopy (AFM). The resulting MgONPs show an average particle size of approximately 51 nm. Beyond their physicochemical features, the synthesized MgONPs demonstrated excellent photocatalytic performance by achieving up to 95% degradation of methyl orange dye within 120 min under optimal conditions, including irradiation time, pH, dye concentration, and catalyst dosage. The results demonstrate that MgONPs synthesized via this green approach exhibit significant photocatalytic efficiency toward the degradation of dye molecules. This high efficiency highlights their strong potential for real-life application in wastewater treatment, offering a sustainable and cost-effective approach for removing hazardous dyes from contaminated water.</p>\u0000 </div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2529 - 2536"},"PeriodicalIF":2.5,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752527","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":"Dual functional performance of aminolyzed PET-g-AA membranes: adsorption and photodegradation of methylene blue for enhanced water treatment applications","authors":"Haja Tar,&nbsp;Lotfi Beji,&nbsp;Shahad M. Aldebasi,&nbsp;Abuzar Albadri,&nbsp;Noura Kouki,&nbsp;Fahad M. Alminderej,&nbsp;Abrar S. Alnafisah,&nbsp;Hanène Salmi-Mani","doi":"10.1007/s11696-025-04523-5","DOIUrl":"10.1007/s11696-025-04523-5","url":null,"abstract":"<div><p>This work presents dual‑functional aminolyzed PET‑g‑AA membranes capable of capturing and photodegrading methylene blue (MB). Surface aminolysis introduces amide sites and allows UV‑initiated grafting of acrylic acid, creating carboxylated interfaces that enhance electrostatic, hydrogen‑bonding, and π–π interactions. Gaussian fitting of UV–Vis spectra identifies monomer (~ 610 nm) and dimer (~ 660 nm) species: adsorption follows pseudo‑second‑order kinetics with qe approximately 89% (monomer) and 98% (dimer), and half‑lives of about 105 and 130 min, respectively. Under 255 nm irradiation, photodegradation occurs via second‑order kinetics, with qe around 43% (monomer) and 75% (dimer), and half‑lives of roughly 7.8 and 9.1 min. FTIR and XRD analyses confirm successful functionalization and maintain framework integrity despite reduced crystallinity. The membranes retain about 90% performance after five regeneration cycles. By targeting dimeric MB—which is typically more difficult to remove—the membranes combine high capture efficiency with effective ROS‑assisted degradation, providing a durable and scalable solution for dye remediation.</p></div>","PeriodicalId":513,"journal":{"name":"Chemical Papers","volume":"80 3","pages":"2429 - 2449"},"PeriodicalIF":2.5,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147752385","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}