Frontiers in Chemistry最新文献

{"title":"Exploring Ru 4d oxide Ba₂XRuO₆ (X = Y, Lu, Sc) for spintronics: pressure-dependent first-principles study.","authors":"Razia Abdul Majid Qureshi, Altaf Ur Rahman, Muhammad Sajjad, N A Noor, Sohail Mumtaz, A Ibrahim, A Laref","doi":"10.3389/fchem.2026.1814481","DOIUrl":"10.3389/fchem.2026.1814481","url":null,"abstract":"<p><p>Recent advances in the precise control of electromagnetic and transport properties, and the miniaturization of electronic devices, have introduced new prospects in the development of practical quantum computing. Double perovskites have gained particular attention in spintronic applications due to their structural stability, non-toxicity, and inherent spin polarization. In this study, we explore the effect of Ru 4<i>d</i>-electrons on the magnetic properties of Ba₂XRuO₆ (X = Y, Lu, Sc) using first-principles calculations within the WIEN2k framework. The calculated lattice constants for Ba₂XRuO₆ (X = Y, Lu, Sc) using PBEsol-GGA are comparable to reported experimental values. The calculated formation energies (ΔH_f) of -2.88, -2.61, and -2.43 eV (for X = Y, Lu, and Sc, respectively) confirm thermodynamic stability. Band structure and density of states analyses reveal that all compounds are ferromagnetic semiconductors. All compounds exhibit ferromagnetic semiconducting behavior, and the bandgap increases with pressure up to 4 GPa. The observed magnetism arises from hybridization effects, crystal-field interactions, and exchange coupling. Optical analysis shows strong visible-light absorption, and transport parameters evaluated from 300 to 800 K highlight notable thermoelectric potential. These findings establish Ba₂XRuO₆ (X = Y, Lu, Sc) as promising candidates for spintronic and thermoelectric applications.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1814481"},"PeriodicalIF":5.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13597797/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149030107","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":"Study on the adsorption kinetics of natural dye by colored paper fiber raw material.","authors":"Tinghui Zhang, Zhenhua Yu, Shuwei Guo, Chunhua Yang, Baoshan Yue, Jiao Xie, Zhihua Liu, Hao Wang, Han Zheng, Ying Zhang, Tingting Yu, Yadian Xie, Yi Dai","doi":"10.3389/fchem.2026.1868454","DOIUrl":"10.3389/fchem.2026.1868454","url":null,"abstract":"<p><p>To ensure stable quality of colored cigarette paper dyed with natural dyes, real-time kinetic data of dye adsorption onto cellulosic fibers remains insufficient due to limitations of traditional offline sampling methods. In this work, brown natural dye was used as the adsorbate, and an online UV-Vis spectral monitoring system was developed to achieve continuous, non-destructive detection of the full adsorption process without intermittent sampling. The effects of initial dye concentration and fiber type on the adsorption behavior and mechanism were systematically investigated. All experiments were conducted at 20 °C with a pulp consistency of 0.2% (w/v), and the initial dye concentration ranged from 10 to 80 mg/L. Pseudo-first-order (PFO) was applied for data fitting. The adsorption process exhibits two successive stages: a water absorption-swelling induction period and a dye adsorption stage. A competitive adsorption mechanism between water molecules and dye macromolecules on fiber surfaces is proposed to explain the induction period. The induction time decreases exponentially with increasing initial dye concentration, following (y = 6,998*e^-0·⁰⁴⁷ˣ) with (R² = 0.987). Within 30-80 mg/L, the equilibrium adsorption capacity (q_e) increases linearly with dye concentration. For hemp pulp fiber at 80 mg/L, (q_e) reaches 1.1184 mg/g, the PFO rate constant (k₁) is 0.0012 s^-1 with (R² = 0.9980). The PFO model shows better fitting performance for all systems, indicating a diffusion-controlled physisorption process. Hardwood pulp reaches equilibrium at ~1,500 s with the fastest initial rate, while softwood and hemp pulp require over 10000 s. This work provides fundamental kinetic data and theoretical support for formula design and process optimization of online dyeing for colored cigarette paper.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1868454"},"PeriodicalIF":5.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13597811/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149030104","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":"Designing novel linagliptin analogs through combined generative artificial intelligence, molecular docking, molecular dynamics simulation, and binding energy estimation for targeting fibroblast activation protein.","authors":"Mingsong Shi, Zhi Yang, Yuhan Yang, Junxian Chen, Chuandong He, Xiaoan Li","doi":"10.3389/fchem.2026.1848970","DOIUrl":"10.3389/fchem.2026.1848970","url":null,"abstract":"<p><p>Fibroblast activation protein (FAP) is a highly specific biomarker overexpressed in cancer-associated fibroblasts, making it a promising diagnostic target. Developing novel high-affinity molecular probes for FAP-targeted diagnostics remains an active area of research. In this study, an integrated computational pipeline combining generative artificial intelligence, molecular docking, molecular dynamics (MD) simulation, binding energy estimation, and pharmacokinetic predictions was used to design and evaluate novel linagliptin-based compounds as potential FAP-binding analogs. From a preliminary library of 1,016 analogs generated using DeepLigBuilder, eight unique candidates with nine binding models were obtained based on binding affinity predicted using DeepLigBuilder and binding energy based on molecular docking, and four candidates were identified based on dynamic stability assessments and binding energy estimation. Two novel linagliptin-based candidates, Ligand90 and Ligand150, were identified as putative FAP-binding analogs based on ADMET profiling and Lipinski's Rule of Five compliance. This integrated computational strategy provides a valuable framework to rationally design computationally prioritized candidates for targeting FAP.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1848970"},"PeriodicalIF":5.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13597733/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149037454","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":"Phyto-synthesized silver-iron oxide nanoparticles from <i>Traganum nudatum</i> for antimicrobial and anticancer applications: experimental and computational insights.","authors":"Hessa O Aldraiwiesh, Mohammed M Elobeid, Zeyad E Mohamed, Belal M Kamel, Reham M Aldahasi, Fatimah G Albani, Nada K Alharbi, Israa Salem, Hanan Henidi, Sahar S Alghamdi, Mudawi M Nour, Afrah E Mohammed","doi":"10.3389/fchem.2026.1877737","DOIUrl":"https://doi.org/10.3389/fchem.2026.1877737","url":null,"abstract":"<p><p>The rising incidence of antimicrobial resistance necessitates the development of sustainable and eco-friendly nanomaterials. In this study, silver-iron oxide nanoparticles (Ag-FeO NPs) were phyto-synthesized using <i>Traganum nudatum</i> seed extract as a natural reducing and stabilizing agent, and their physicochemical properties and antimicrobial activity were systematically evaluated. UV-Vis spectroscopy showed a characteristic absorption peak at 359 nm, providing supportive evidence of nanoparticle formation. Fourier-transform infrared spectroscopy revealed functional groups at 1,645 and 3,315 cm^-1, indicating the involvement of plant-derived phytochemicals in nanoparticle stabilization. Transmission electron microscopy analysis showed heterogeneous spherical and rod-like nanostructures with moderate aggregation, while scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy qualitatively indicated the presence of silver and iron, together with oxygen and carbon. Dynamic light scattering analysis showed an average hydrodynamic particle size of 7.3 nm and a broad particle size distribution (PDI = 0.60), with a zeta potential of -1.36 mV. GC-MS profiling identified bioactive metabolites, including 3-(octanoyloxy)propane-1,2-diyl bis(decanoate), <i>n</i>-hexadecanoic acid, hentriacontane, and lidocaine, potentially contributing to nanoparticle synthesis and bioactivity. Ag-FeO NPs exhibited significant antimicrobial activity against <i>Escherichia coli</i>, methicillin-resistant <i>Staphylococcus aureus</i>, and <i>Candida albicans</i>. SEM analysis of <i>C. albicans</i> revealed severe ultrastructural damage, including surface deformation and cell wall disruption. Ag-FeO NPs produced greater reductions in MCF-7 cell viability than in MCF-10A non-tumorigenic epithelial cells, although a clear concentration-dependent response was not observed within the tested range. Computational prediction analyses using PASS, SwissTargetPrediction, SwissADME, and ProTox-II indicated that several identified phytochemicals possess antimicrobial and antineoplastic potential together with favorable pharmacokinetic characteristics. Overall, the integration of green synthesis, experimental validation, and computational modeling highlights the potential of <i>T. nudatum</i>-mediated Ag-FeO NPs as effective and sustainable agents for biomedical applications.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1877737"},"PeriodicalIF":5.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13627990/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149106842","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":"Mechanisms of hydrogen embrittlement, mitigation strategies, and emerging materials for hydrogen energy and advanced manufacturing.","authors":"Pan Shulin, Walid Tahri, Rashid Khan, Mazen Alshaaer","doi":"10.3389/fchem.2026.1957974","DOIUrl":"10.3389/fchem.2026.1957974","url":null,"abstract":"<p><p>Hydrogen is considered one of the most promising energy carriers for low-carbon energy systems. However, hydrogen embrittlement (HE) poses a threat to the structural integrity and long-term reliability of metallic materials used in hydrogen production, storage, transportation, and utilization. Microstructural features such as dislocations, vacancies, grain boundaries, precipitates, and phase interfaces can act as hydrogen trapping sites. Hydrogen atoms introduced through gaseous exposure, electrochemical reactions, or corrosion processes can accumulate at these sites. Consequently, hydrogen-metal interactions can reduce ductility, accelerate crack initiation and propagation, and promote premature failure under static and cyclic loading conditions. This brief overview discusses the recent advances in hydrogen uptake, diffusion, trapping, and damage mechanisms, including hydrogen-enhanced decohesion (HEDE), hydrogen-enhanced localized plasticity (HELP), and hydrogen-enhanced strain-induced vacancy formation (HESIV). HE susceptibility is examined in relation to alloy chemistry, microstructure, environmental factors, and mechanical loading conditions. In addition, recent advances in multiscale modelling, <i>in situ</i> and operando characterization techniques, artificial intelligence (AI)-assisted prediction, and hydrogen detection methodologies are discussed. Moreover, mitigation strategies involving microstructure optimization, surface engineering, protective coatings, heat treatment of materials, and stress management are investigated. This review compares and contrasts promising emerging materials for hydrogen energy and advanced manufacturing, such as high-entropy alloys, additively manufactured alloys, and advanced high-strength steels, in contrast to other reviews that primarily focus on specific alloy types or HE mechanisms. Finally, future research priorities are identified, including standardized evaluation procedures, testing under real-world service conditions, data standardization, model validation, and the development of safe, durable, hydrogen-compatible metallic materials.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1957974"},"PeriodicalIF":5.3,"publicationDate":"2026-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13599125/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149037471","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":"Design and syntheses of 4-aminoquinoline-thiazolidinone hybrids as anti-protozoal agents.","authors":"Gul Naz Fatima, Sarvesh K Paliwal, Shailendra K Saraf","doi":"10.3389/fchem.2026.1892807","DOIUrl":"10.3389/fchem.2026.1892807","url":null,"abstract":"<p><strong>Introduction: </strong>Molecular hybridization is an effective approach employed to synthesize molecules that possess the ability to function as dual inhibitors, thereby addressing the issue of growing resistance. Resistance by the malaria parasite is one such example. Therefore, the study aims to develop hybrid compounds consisting of 4-aminoquinoline and 4-thiazolidinone, utilizing molecular docking for sorting, followed by synthesis and evaluation of their anti-malarial potential.</p><p><strong>Methods: </strong>The molecules were selected on the basis of affinity from the computational study. To strengthen the <i>in silico</i> docking, a 200ns molecular dynamics simulation study was also performed. The title compounds, 7-18, were synthesized in a three-step reaction, involving non-polar solvent addition reaction resulting in heterocyclization. The synthesis was followed by characterization of all the synthesized compounds, and they were further subjected to biological screening through <i>in-vitro</i>, and the selected actives to <i>in-vivo</i> evaluation. An acute toxicity study was also conducted.</p><p><strong>Results: </strong>The compounds exhibited promising action, with five compounds, 8, 9, 14, 15, and 18, demonstrating efficacy comparable to the reference drug in the <i>Pf</i>-DHFR enzyme inhibition assay. Four of the active compounds selected for the <i>Plasmodium berghei</i> murine model displayed excellent activity, with percentage parasitaemia inhibition to the extent of 84%, and mean survival time up to 27 days. The MD simulation study showed the stability of the ligand-protein complex up to 200 ns. The <i>in silico</i> ADMET prediction, along with acute toxicity testing of the most active compound, showed no major toxicity.</p><p><strong>Discussion: </strong>The study concludes the hybrid compounds to be promising antimalarial agents, and the scaffold may be a good lead for the development of next-generation antimalarials.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1892807"},"PeriodicalIF":5.3,"publicationDate":"2026-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13590687/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149016118","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":"Copper homeostasis in macrophages: regulatory mechanisms and immunological implications.","authors":"Wanting Yang, Junfeng Wang, Zhenbin Dong, Fangming Zhang, Guofeng Li, Xing Wang, Wensheng Xie","doi":"10.3389/fchem.2026.1924097","DOIUrl":"10.3389/fchem.2026.1924097","url":null,"abstract":"<p><p>Copper is an essential micronutrient whose redox activity underpins a dual role in immunity: it serves as both an antimicrobial effector and a regulator of inflammatory signaling. Macrophages, as central orchestrators of innate and adaptive immunity, maintain sophisticated copper homeostasis mechanisms that dynamically adapt to distinct activation states and environmental cues. This review synthesizes current knowledge around three interconnected themes: (1) the molecular machinery governing copper transport and regulation-including CTR1, ATP7A, ATP7B, and copper chaperones; (2) the functional interplay between copper metabolism, macrophage polarization, and immunometabolism; and (3) the pathophysiological consequences of copper dysregulation in infection, chronic inflammation, and cancer. Emerging evidence reveals that copper exerts dose-dependent effects on macrophage polarization: low-to-moderate copper promotes an anti-inflammatory M2 phenotype via STAT6 and PI3K/Akt pathways, whereas high copper concentrations trigger oxidative stress and NF-κB activation, driving pro-inflammatory M1 polarization. Furthermore, recent findings highlight crosstalk among copper metabolism, cuproptosis, and tumor-associated macrophage function, opening new avenues for copper-based immunotherapy. This review identifies critical knowledge gaps-including tissue-specific copper regulation, single-cell dynamics of copper trafficking, and the therapeutic potential of copper-targeted interventions. While acknowledging the bidirectional causality between copper metabolism and macrophage activation, we argue that copper homeostasis functions as a rheostat of immune competence with substantial translational promise.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1924097"},"PeriodicalIF":5.3,"publicationDate":"2026-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13592039/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149016083","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":"Lead halide perovskite light-emitting diodes: navigating challenges and opportunities for next-generation display and lighting.","authors":"Linxiang Yang, Xiuting Wu, Beichen Yuan, Tianjun Hu, Cunyun Xu, Qingsong Shan, Haibo Zeng","doi":"10.3389/fchem.2026.1952893","DOIUrl":"10.3389/fchem.2026.1952893","url":null,"abstract":"<p><p>Lead halide perovskite light-emitting diodes (PeLEDs) have emerged as highly promising candidates for next-generation displays and solid-state lighting, achieving record-high external quantum efficiencies (EQEs) exceeding 30%. The perovskites possess outstanding optoelectronic properties, such as high photoluminescence quantum yields (PLQY), narrow full-width at half maximum (FWHM), and efficient radiative recombination, driven fundamentally by the unique Pb²⁺ orbital configuration that imparts direct bandgaps and intrinsic defect tolerance. However, commercializing PeLEDs in next-generation displays and lighting is bottlenecked by dual-challenges in material and device: intrinsically, the soft lattice stemming from ionic soft lattice is prone to phase degradation, ion migration, and environment-induced dissociation, triggering severe non-radiative recombination, luminescence failure and environmental toxicity; extrinsically, unbalanced carrier injection, interfacial energy-level mismatch, and Joule heating effect jointly inflict low luminescence efficiency and rapid device decay. This review offers a systematic overview of multi-dimensional strategies developed to resolve this key contradiction. From a synthetic chemistry perspective, we summarize intrinsic lattice stabilization via compositional engineering, surficial ligand passivation and core-shell heterostructures, as well as solvent-free mechano-synthesis pathways. From a device engineering standpoint, we highlight charge-transport layer optimization, self-assembled monolayer (SAM) functionalization for interfacial-defect passivation and balanced carrier injection, alongside photonic waveguiding management. Finally, we discuss future perspectives on atomic-level mechanism characterization, ligand-mediated surface reconstruction, and closed-loop lifecycle management, offering a comprehensive roadmap toward the high-performance, long-term stability and scalable commercialization of next-generation PeLEDs for display and lighting technologies.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1952893"},"PeriodicalIF":5.3,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13587233/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149008158","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":"From optical architectures to actual deployment a review of online process spectroscopy in industrial environments.","authors":"Huanqing Zhuo, Bo Zeng, Yinghao Ning, Luomeng Zhang, Congcong Tian, Qianyuan Yu, Qian Miao","doi":"10.3389/fchem.2026.1914581","DOIUrl":"10.3389/fchem.2026.1914581","url":null,"abstract":"<p><p>Real-time quantitative analysis of complex matrices (e.g., moisture and multiple components) is a critical bottleneck in modern Process Analytical Chemistry (PAC). While online near- and mid-infrared spectroscopy are widely deployed, achieving high-fidelity measurements in dynamic industrial environments remains highly challenging. Severe matrix effects coupled with industrial multi-stress interferences, including continuous detector window pollution and light source drive voltage fluctuations, often cause significant baseline drift and non-linear spectral distortion, challenging both physical optical limits and traditional linear calibration models. To address these challenges, this review systematically evaluates the optical architectures and analytical boundaries of four mainstream online infrared spectrometers: filter-based, grating dispersion, Fourier Transform Infrared (FTIR), and Acousto-Optic Tunable Filters (AOTF). Crucially, we comprehensively review the evolution of chemometric compensation strategies designed to overcome these complex spectral interferences. By comparing traditional multivariate linear models, such as Partial Least Squares (PLS), with cutting-edge deep learning frameworks, notably 1D Convolutional Neural Networks (1D-CNN), we discuss the potential of AI-driven soft-calibration for robust feature extraction and precise quantitative prediction under extreme operational stresses. We emphasize that the advantages of such approaches are contingent upon data availability, the degree of spectral nonlinearity, and the specific process environment; they are not a universal replacement for conventional models, which remain effective under stable and linear conditions. Furthermore, the synergistic evolution of miniaturized solid-state hardware is discussed. Ultimately, this review provides a robust theoretical framework for selecting analytical instruments and developing advanced, data-driven chemometric methodologies in dynamic environments, while acknowledging the practical constraints and trade-offs involved in real-world deployment.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1914581"},"PeriodicalIF":5.3,"publicationDate":"2026-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13587345/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149008166","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":"Codonopsis pilosula polysaccharides: structural characteristics, structure-activity relationships, biological activities, and potential applications.","authors":"Bo Wang, Lei Li, Xinyuan Cao, Zhijun Dai, Xiaofeng Liu","doi":"10.3389/fchem.2026.1912660","DOIUrl":"10.3389/fchem.2026.1912660","url":null,"abstract":"<p><p>Codonopsis pilosula, a medicinal plant in the Campanulaceae family, is a classic Qi-tonifying herb in traditional Chinese medicine. Research on the pharmacological basis of its activity has spanned several decades. As pivotal active constituents, <i>Codonopsis pilosula</i> polysaccharides (CPPs) exhibit strong bioactivities, including immunomodulatory, antioxidant, anti-inflammatory, and antitumor effects. To date, approximately 42 homogeneous polysaccharide fractions have been reported from <i>C. pilosula</i> roots, with varying degrees of structural characterization depending on the analytical strategies employed. These CPP fractions exhibit considerable structural diversity in terms of molecular weight, monosaccharide composition, glycosidic linkage patterns, branching architecture, and higher-order conformations. Increasing evidence suggests that these structural characteristics contribute to their diverse biological activities; however, comprehensive understanding of the precise structural determinants underlying CPP bioactivities remains limited. This review systematically summarizes the structural characteristics and pharmacological properties of CPPs, with a specific emphasis on the structure-activity relationships (SAR) underlying their biological effects. We also clarify the molecular mechanisms responsible for their immunomodulatory and antitumor actions and discuss how structural modifications enhance efficacy through well-defined SARs.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1912660"},"PeriodicalIF":5.3,"publicationDate":"2026-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13582186/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148988810","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}