RSC Advances最新文献

{"title":"Design and fabrication of graphene oxide-based nanocomposites with tuneable morphological properties for advanced supercapacitor applications.","authors":"Mohammad Mizanur Rahman Khan, Md Mahamudul Hasan Rumon, Jae-Ho Jeong","doi":"10.1039/d6ra06017j","DOIUrl":"10.1039/d6ra06017j","url":null,"abstract":"<p><p>The quicker progress of renewable energy conversion and storage technologies has resulted in devices that are more efficient and operate steadily, thus helping in alleviation of global energy crisis. Although much research is still underway on GO-based electrodes for supercapacitors, their performance is not yet suitable for commercial implementation. There is still a knowledge gap regarding the morphological characteristics, synthesis, and design of appropriate materials for supercapacitor applications. The current review particularly highlights the synthesis approaches and morphological features of GO-based composites and their use as electrodes for high-performance supercapacitors (HPSs). We discuss in detail the synthesis methods and their associated mechanisms, as well as the electrochemical methods used to fabricate supercapacitors (SCs). Most importantly, the electrochemical performance and potential applications of these GO-based nanocomposites in SCs are explored. This review also highlights the recent advances in GO-based nanocomposites incorporated with metal-based materials and polymers, along with their corresponding electrochemical performance in SCs. Large-scale applications require HPSs, and this review provides a comprehensive overview that offers valuable insights into the applicability of GO-based nanocomposites in HPSs.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673144/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, dielectric behavior, diffuse phase transition, and electrical properties of 0.7(Bi_1-<i>x</i> Sm _<i>x</i> ) FeO₃-0.3BaTiO₃ ceramics (<i>x</i> = 0.1 and 0.2).","authors":"Samia Aydi, Mohamed Mounir Bouzayani, Houda Slimi, Wael Z El-Sayad, Rima Mohammed Altalib, Abderrazek Oueslati, Abdelhedi Aydi","doi":"10.1039/d6ra06239c","DOIUrl":"10.1039/d6ra06239c","url":null,"abstract":"<p><p>Environmentally friendly 0.7(Bi_1-<i>x</i> Sm _<i>x</i> )FeO₃-0.3BaTiO₃ systems with various doping rates with <i>x</i> = 0.1 and 0.2, have been synthesized by the solid-state method, and their structural, microstructural, vibrational, and electrical properties were systematically investigated. X-ray diffraction combined with Rietveld refinement confirmed the stabilization of a single-phase perovskite structure, with lattice contraction attributed to Sm³⁺ substitution. The BFBT-0.1Sm composition crystallizes in a tetragonal phase with <i>P</i>4/<i>mmm</i> symmetry, whereas the BFBT-0.2Sm sample adopts an orthorhombic structure belonging to the <i>Pmmm</i> space group. This structural evolution is consistently supported by both XRD patterns and Raman spectral analysis. SEM analysis revealed dense microstructures with well-distributed grains. Energy-dispersive X-ray spectroscopy (EDX) confirmed the presence of all the chemical elements constituting the materials. Raman spectroscopy provided evidence of local structural distortion. Dielectric measurements showed a significant increase in permittivity, while impedance and AC conductivity analyses indicated a thermally activated hopping mechanism consistent with Jonscher's power law. The dielectric constant varies with temperature, indicating the occurrence of a diffuse phase transition. This behavior was further analyzed using the modified Curie-Weiss law. A thorough analysis of the dielectric properties as a function of temperature demonstrates a characteristic ferroelectric to paraelectric (FE-PE) transition, marked by a significant rise in the real part of permittivity near 600-700 K for both compounds. This substantial permittivity underscores their potential for energy storage applications. These findings suggest that the studied ceramics are promising candidates for multifunctional devices.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673523/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Single-step Raman spectroscopy for maple syrup quality control.","authors":"Saba Bashir, Talia Gélinas, Jean-Francois Masson","doi":"10.1039/d6ra07316f","DOIUrl":"10.1039/d6ra07316f","url":null,"abstract":"<p><p>Maple syrup quality evaluation involves multiple parameters, including color classification, flavor assessment, and the measurement of sugar concentration, which are influenced by the complex chemical composition of the syrup matrix. Conventional quality assessment relies on separate analytical and sensory approaches, creating a bottleneck in the industrial processing of maple syrup. As such, rapid techniques are needed to assess multiple quality control parameters from a single measurement. In this study, Raman spectroscopy combined with machine learning was evaluated to characterize maple syrup quality attributes using 721 samples representing different color grades (golden, amber, dark, and very dark) and flavor categories. After spectral preprocessing, principal component analysis (PCA) was performed to investigate natural spectral variations among samples. PCA revealed differences associated with syrup color and flavor categories; however, the overlap observed among several groups indicated that the relationship between Raman fingerprints and maple syrup properties involves complex spectral variations that are not fully resolved by linear unsupervised analysis. To improve discrimination, convolutional neural network (CNN) models were developed to extract nonlinear spectral features directly from Raman data. For color classification, the CNN achieved prediction accuracies of 91%, 68%, 73%, and 92% for golden, amber, dark, and very dark syrups, respectively. Flavor classification showed strong discrimination for several defect categories, including OK (83%), √ (76%), VR4 (73%), VR5 (78%), VR13 (100%), and CT (83%), while lower performance for VR1 (55%), VR2 (66%), and VR12 (64%) reflected the challenge of differentiating sensory defects with overlapping chemical characteristics. VR13 showed a high classification rate in the evaluated data; however, the small number of independent VR13 samples prevents a robust estimate of general performance for this class. In addition to Raman fingerprints, fluorescence background variations were evaluated as an indicator of optical properties and were found to correlate with maple syrup light transmittance values used for color grading. The quantitative capability of Raman spectroscopy was further assessed by predicting sucrose concentrations using standard sucrose solutions (45-67%, w/w). Concentration-dependent Raman features were extracted and used to develop a random forest regression (RFR) model, achieving coefficients of determination (<i>R</i> ²) of 0.87. Application of the model to real maple syrup samples yielded sucrose predictions with an average bias of 0.35%, indicating that Raman-derived spectral information can be used to evaluate both compositional and quality-related characteristics of maple syrup. Overall, the results reported demonstrate the power of Raman spectroscopy for a multiparametric analysis of maple syrup.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673142/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214776","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of Y₂O₃ content on toluene oxidation performance and heat-generation behavior of induction-heated Ni-Y₂O₃ catalysts.","authors":"Hyeonsu Jeong, Ye Hwan Lee, Byung Hyun Moon, Sung Su Kim","doi":"10.1039/d6ra04610j","DOIUrl":"10.1039/d6ra04610j","url":null,"abstract":"<p><p>This study prepared disk-shaped Ni-Y₂O₃ catalysts for induction heating and evaluated the effects of Y₂O₃ content on toluene removal performance and heat-generation behavior. Y₂O₃ addition increased the specific surface area and modified the structural, redox, and surface chemical properties of Ni, while the XPS results suggested that Y₂O₃ may act as a promoter that modifies the distribution of Ni species and the oxygen-related surface environment. At a reaction temperature of 400 °C, the Ni-Y₂O₃ 20 and 30 wt% catalysts showed high toluene removal performance, whereas at a fixed induction current of 28 A, the 20 wt% catalyst exhibited the optimum performance. This behavior was attributed to a trade-off between the catalytic promotion induced by Y₂O₃ and the reduced magnetic heating contribution caused by dilution of magnetic Ni. The Ni-Y₂O₃ 20 wt% catalyst also maintained stable performance under high humidity, 100 on/off cycles, and 12 h continuous operation. These results demonstrate that composition optimization considering the balance between catalytic reactivity and magnetic heat-generation characteristics is important for designing induction-heated catalysts for toluene oxidation.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13674566/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214913","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Solvent-coordination-triggered framework breathing enables rapid polychlorinated biphenyls elution from magnetic Fe₃O₄/MIL-88B(Fe) composites.","authors":"Zhekuan Zhu, Huimin Tong, Xin Qiao, Xvsheng Qiao, Cheng-Ao Li, Renren Deng","doi":"10.1039/d6ra06601a","DOIUrl":"10.1039/d6ra06601a","url":null,"abstract":"<p><p>Elution is often a time-consuming step in solid-phase extraction because strongly retained analytes must be efficiently released from the sorbent before instrumental analysis. Here, we develop a magnetic Fe₃O₄/MIL-88B(Fe) composite that combines rapid magnetic separation with coordination-assisted elution for the preconcentration of polychlorinated biphenyls (PCBs) from water. In our design, superparamagnetic Fe₃O₄ nanoclusters in Fe₃O₄/MIL-88B(Fe) enable rapid recovery of the composites from aqueous suspensions, while the flexible MIL-88B(Fe) framework provided a solvent-responsive environment for PCB retention and release. After adsorption and vacuum drying, the PCB-loaded composites were treated with solvents of different electron-donating ability. Strong donor solvents, such as pyridine, provided substantially greater PCB release than weakly coordinating solvents. The elution behaviour was therefore more closely associated with solvent donor strength than with analyte solubility, consistent with coordination-assisted reopening of the MIL-88B(Fe) framework. Under optimized conditions, enrichment of trace PCBs from high volume tap water can be accomplished, affording recoveries of 70.9-90.5% and enrichment factors of 354-452. This study demonstrates that solvent coordination can facilitate analyte release from flexible MOF sorbents, providing a practical strategy for rapid magnetic sample preparation of trace hydrophobic organic pollutants.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673695/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Predicting the photovoltaic and optoelectronic potentials of eco-friendly kesterites Ag₂PdMX₄ (M = Sn, Ge; X = S, Se) through first-principles calculations.","authors":"Ihsan Ullah, Numan Khan, Eman Aldosari, Adnan Ali Khan, Yakup Yildirim, Imad Khan","doi":"10.1039/d6ra07462f","DOIUrl":"10.1039/d6ra07462f","url":null,"abstract":"<p><p>Silver-based kesterite chalcogenides have emerged as attractive substitutes for conventional Cu-based solar absorbers because of their reduced cation disorder, improved electronic properties, and photovoltaic potential. The kesterite compounds Ag₂Pd(Sn,Ge)X₄ (X = S, Se) were investigated <i>via</i> density functional theory (DFT) calculations and were found to be stable. The structural properties were computed using the GGA-PBEsol functional, while the electronic properties were predicted using the GGA, mBJ, GGA+<i>U</i>, and TB-mBJ+<i>U</i> approaches, confirming the direct band gap nature. The calculated band gap energy values are in the range of 1.19-1.9 eV using mBJ+<i>U</i>, finding them suitable for solar cell applications. Spin-orbit coupling (SOC) calculations reveal that the SOC effect is noticeable and a compound dependent reduction, because heavy atoms like Pd, Ag, Sn, and Se cause band splitting along with band reduction. The valence band maximum is contributed by Ag-4d/Pd-4d and chalcogen-p states, whereas the conduction band minimum is contributed by Sn/Ge-p states, which show strong orbital hybridization near the Fermi level. A strong absorption coefficient (∼10⁵ cm^-1), favorable optical response, and low energy loss also demonstrate excellent light-harvesting capability. Photovoltaic performance was evaluated using the SCAPS-1D simulation package, with the solar cell architecture FTO/TiO₂/Ag₂Pd(Sn,Ge)X₄/Cu₂O/Pt. Among the Sn-based compounds, Ag₂PdSnS₄, with its near-optimal band gap, exhibits enhanced photovoltaic performance, achieving an open-circuit voltage (<i>V</i> _OC) of 1.22 V, short-circuit current density (<i>J</i> _SC) of 24.43 mA cm^-2, fill factor (FF) of 80%, and power conversion efficiency (PCE) of 23.8%. In the Ge-based series, Ag₂PdGeSe₄ exhibits the highest predicted performance with a <i>V</i> _OC of 1.10 V, <i>J</i> _SC of 30.37 mA cm^-2, FF of 76%, and PCE of 25.3%. These results indicate that the studied kesterites are emerging environmentally friendly semiconductors for next-generation thin-film photovoltaic and optoelectronic applications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673667/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214842","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rationally designed tunable amphiphilic glycopolymers for safe and effective vaccine adjuvanticity.","authors":"Aaron T Hendricksen, Luis Ontiveros-Padilla, Connor T Murphy, Grace L Williamson, Alexandra M Lopez, Eric M Bachelder, Kristy M Ainslie","doi":"10.1039/d6ra05875b","DOIUrl":"10.1039/d6ra05875b","url":null,"abstract":"<p><p>Vaccine adjuvants require specific molecular cues to effectively replicate pathogen-derived immunostimulatory signals. Among these, carbohydrate-lipid motifs found on the mycobacterial cell wall are particularly potent targets, as they engage C-type lectin receptors (CLRs) to drive specific Th1/Th17-skewed immunity. To explore this potential, amphiphilic glycopolymers integrating trehalose and long-chain lipid motifs were synthesized to investigate how the covalent co-display of carbohydrate and lipid cues modulates polymer self-assembly and immune activation. By deconstructing the CLR agonist trehalose-6,6'-dibehenate (TDB) into trehalose and behenyl methacrylate monomers, we created a modular platform that overcomes the hydrophobicity and fixed stoichiometry of the parent glycolipid. This strategy presents carbohydrate and lipid signals in close molecular proximity on a single polymer scaffold. A series of well-defined random copolymers comprising trehalose methacrylate and behenyl methacrylate were prepared <i>via</i> reversible addition-fragmentation chain-transfer (RAFT) polymerization, affording polymers with controlled molecular weights (<i>M</i> _n ≈ 29-32 kDa) and tunable lipid incorporation (0-40 mol%). Adjustment of the trehalose-to-lipid feed ratio (T : B = 300 : 0 to 180 : 120) provided precise control over amphiphilicity. Incorporation of hydrophobic behenoyl segments induced spontaneous self-assembly in aqueous media, forming nanoscale micelles with hydrodynamic diameters increasing from approximately 110 to 130 nm as lipid content increased. Polymer amphiphilicity strongly shaped the innate immune activation <i>in vitro</i>, with the 10 mol% lipid copolymer eliciting the highest proinflammatory cytokine response. These findings suggest that covalent co-presentation of trehalose and lipid motifs within a single polymer scaffold enables activation of innate immune pathways.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13674014/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Can low-thickness, low-value mixed plastic waste be converted into petrochemical fuels on a large scale?","authors":"Venkateswarlu Chintala, Mayuri Shaiwale, Sachinkumar Makwana, Ritesh Kumar Mishra","doi":"10.1039/d6ra07768d","DOIUrl":"10.1039/d6ra07768d","url":null,"abstract":"<p><p>Disposal of low-thickness, low-value mixed plastic waste is a global problem that experts are addressing through various waste-treatment technologies. Catalytic pyrolysis is one such technology for converting plastic waste into valuable petrochemical fuels. However, most researchers have focused on bench-scale experiments in controlled environments, which limits the technology's scale-up. In addition, most of the existing research studies examine either individual or 3-4 mixtures of virgin plastic waste streams, which may not accurately reflect the complexities of processing diverse, real-world mixed plastic waste. Hence, the current study aims to address the above issues by treating large-scale, low-value, low-thickness single-use plastic mixed waste, comprising filler-rich plastic bags, multi-layered plastics, and dairy product packaging, <i>etc.</i>, without segregation, washing, or inert gas usage. About 1.8 metric tons per day (600 kg per batch) of the said materials were processed for producing raw pyro-oil with a yield of 57-66% and pyro-gas and pyro-char as by-products. Subsequently, the raw oil was upgraded into pyro-fuel-cut 1 and pyro-fuel-cut 2, and their physicochemical properties were compared with the commercial petrochemical fuels.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673522/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nickel-catalysed synthesis of symmetrical and unsymmetrical 2,2'-bipyridines <i>via</i> cross-electrophile coupling (XEC) using manganese reductant.","authors":"Haseeb Ur Rehman Shah, Mahzabin Ahmed, Urvati N Dhirajlal, A Yannic R Werling, Edward A Neal, Christopher R Jones","doi":"10.1039/d6ra08877e","DOIUrl":"10.1039/d6ra08877e","url":null,"abstract":"<p><p>A nickel-catalysed cross-electrophile coupling (XEC) of 2-halopyridines to form 2,2'-bipyridines and 2,2'-bisquinoline is presented using manganese as the reductant. The method tolerates electron-donating and electron-withdrawing groups around the heterocyclic ring and has been applied to the preparation of homo- and cross-coupled products, including competition experiments. Finally, scaling-up the reaction revealed certain practical considerations that led to deviation from the optimised conditions and provided preliminary mechanistic insights.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13673143/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214783","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Coordination-guided design of triazole-based Cu(ii) and Pt(iv) complexes: synthesis, characterization, theoretical studies, molecular docking and anticancer activity.","authors":"Hassan Khudher Naji, Rehab A M Al Hassani, Asim A Balakit, Mohammed Obies, Basil A Saleh, Majid S Jabir","doi":"10.1039/d6ra07834f","DOIUrl":"10.1039/d6ra07834f","url":null,"abstract":"<p><p>A new triazole-based ligand (L) was synthesized <i>via</i> a Schiff base condensation between 4-6-methoxy-2-naphthaldehyde and amino-5-(3,4,5-trimethoxyphenyl)-2<i>H</i>-1,2,4-triazole-3-thione, and its structure was confirmed using FT-IR, NMR, and UV-vis spectroscopy and mass spectrometry analysis. The ligand L was complexed with Cu(ii) and Pt(iv) ions to yield LCu and LPt complexes, respectively. The synthesized complexes were characterized by FT-IR spectroscopy, elemental analysis, UV-vis spectroscopy and magnetic susceptibility measurements. The spectroscopic and magnetic measurements indicated square planar and octahedral geometries for the LCu and LPt complexes, respectively, consistent with the results from DFT and TD-DFT calculations. Theoretical investigations confirmed the experimental UV-vis transitions and revealed pronounced metal-ligand charge transfer features. Cytotoxic evaluation against the SK-OV-3 ovarian cancer and HDFa normal cell lines demonstrated a marked improvement in the anticancer activity upon coordination, with LPt showing the lowest IC₅₀ value (24.85 µg mL^-1) and the highest selectivity index (16.54). Molecular docking studies with tubulin (PDB: 8QEA) and estrogen receptor α (PDB: 3ERT) supported these findings, showing the strong binding affinity of LPt (-6.920 kcal mol^-1) mediated by hydrogen bonding with ASN256 (2.97 Å, 1.4 kcal mol^-1) and π-H interactions between its six-membered ring system and PRO259 (4.62 Å, -0.6 kcal mol^-1). Overall, the designed triazole ligand represents an effective molecular scaffold, and its Pt(iv) complex (LPt) emerges as a promising anticancer agent targeting microtubule polymerization and estrogen receptor pathways.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" ","pages":""},"PeriodicalIF":6.1,"publicationDate":"2026-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13674565/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214831","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}