Frontiers in ChemistryPub Date : 2026-10-12eCollection Date: 2026-01-01DOI: 10.3389/fchem.2026.1968520
Ningning Zhu, Ningrui Wang, NaNa Zhou, Baodong Ye, Jingjing Liu
{"title":"Plant-derived extracellular nanovesicles in musculoskeletal repair and functional rehabilitation: mitochondrial-immune-metabolic regulation.","authors":"Ningning Zhu, Ningrui Wang, NaNa Zhou, Baodong Ye, Jingjing Liu","doi":"10.3389/fchem.2026.1968520","DOIUrl":"https://doi.org/10.3389/fchem.2026.1968520","url":null,"abstract":"<p><p>Musculoskeletal injuries and degenerative disorders caused by trauma, aging, chronic inflammation, and metabolic dysfunction frequently result in impaired functional recovery, including skeletal muscle atrophy, bone loss, cartilage degeneration, and neuromuscular dysfunction. Although exercise rehabilitation, physical therapy, and pharmacological interventions can improve clinical outcomes, their ability to restore the complex pathological microenvironment characterized by persistent inflammation, oxidative stress, mitochondrial dysfunction, and metabolic imbalance remains limited. Plant-derived extracellular nanovesicles (PELNs), naturally occurring lipid-bilayer nanoparticles containing diverse bioactive cargos such as RNAs, proteins, lipids, and phytochemicals, have recently emerged as promising regulators of tissue repair. Unlike conventional nanoparticles that mainly serve as passive delivery carriers, PELNs possess intrinsic biological activity and can actively modulate cellular states across biological barriers. Increasing evidence indicates that PELNs contribute to musculoskeletal regeneration by regulating inflammatory responses, oxidative stress, mitochondrial homeostasis, stem/progenitor cell activity, and extracellular matrix remodeling. Recent studies have reported regenerative effects of PELNs in experimental models involving skeletal muscle, bone, and peripheral nerve tissues. Beyond tissue-specific effects, accumulating evidence suggests that PELN-mediated regeneration involves coordinated mitochondrial-immune-metabolic reprogramming, including regulation of mitochondrial quality control, inflammatory signaling, and immunometabolic states. This review summarizes recent advances in PELN-mediated musculoskeletal repair and their potential relevance to functional recovery, highlighting their biological properties, therapeutic applications, and underlying regulatory mechanisms. The challenges and future perspectives of engineered PELNs for regenerative rehabilitation are also discussed.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1968520"},"PeriodicalIF":5.3,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13698830/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149265006","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":"High-volumetric-capacitance graphene supercapacitors via DEGDE-mediated GO clay process.","authors":"Jiawen Wu, Dingtao Cheng, Qiuyan Li, Zhihong Wang, Zhou Li, Yuanyuan Li, Yingru Li","doi":"10.3389/fchem.2026.1966349","DOIUrl":"https://doi.org/10.3389/fchem.2026.1966349","url":null,"abstract":"<p><p>A refined and facile strategy is reported for preparing high-volumetric-capacitance graphene supercapacitor electrodes via a diethylene glycol dimethyl ether (DEGDE)-mediated graphene oxide (GO) clay process. Building upon the GO \"pottery\" concept from our previous work, this method addresses the critical limitation of solvent evaporation and loss of workability by employing DEGDE-a high-boiling-point, high-molecular-weight organic solvent-as a processing aid. This modification preserves the plasticity and uniformity of the GO clay during calendering and thermal reduction, enabling the direct production of dense, self-supporting reduced graphene oxide (rGO) electrode sheets without binders, conductive additives, or extensive purification. The resulting rGO electrodes exhibit a well-defined layered graphene architecture with high packing density. In a symmetric two-electrode configuration with 5 M KOH electrolyte, the electrode delivers a gravimetric specific capacitance of 119.4 ± 4.4 F g<sup>‒1</sup> and a volumetric specific capacitance of 84.0 ± 3.1 F cm<sup>‒3</sup> at 1 mA cm<sup>‒2</sup>, with stable performance across varying currents and excellent reproducibility. This work provides a practical and cost-effective route for high-density graphene electrodes with competitive volumetric performance for compact energy storage applications.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1966349"},"PeriodicalIF":5.3,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13696513/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149265001","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}
Frontiers in ChemistryPub Date : 2026-10-12eCollection Date: 2026-01-01DOI: 10.3389/fchem.2026.1976872
Yuan-Hui Zhong, Lai-Hon Chung
{"title":"Bridging molecular and heterogeneous catalysis: metallolinker-assembled and post-synthetically metalated covalent organic frameworks for photocatalytic CO<sub>2</sub> reduction.","authors":"Yuan-Hui Zhong, Lai-Hon Chung","doi":"10.3389/fchem.2026.1976872","DOIUrl":"https://doi.org/10.3389/fchem.2026.1976872","url":null,"abstract":"<p><p>Photocatalytic carbon dioxide reduction (PCO<sub>2</sub>RR) represents a promising approach for solar-to-chemical energy conversion and carbon utilization, yet catalyst development remains limited by the trade-off between the molecular precision of homogeneous complexes and the robustness of heterogeneous materials. Metallolinker-assembled covalent organic frameworks (COFs) address this challenge by integrating well-defined metal coordination sites into crystalline porous architectures, combining tunable catalytic environments with framework stability and recyclability. Beyond acting as catalytic centers, metallolinkers regulate light harvesting, charge separation, CO<sub>2</sub> adsorption, and local reaction environments through synergistic interactions with the surrounding framework. This review highlights recent advances in metallolinker-assembled COFs for PCO<sub>2</sub>RR and, for direct comparison, in the related family of post-synthetically metalated COFs, emphasizing how coordination chemistry, electronic structure, topology, and pore microenvironments govern catalytic activity and product selectivity. The review discusses key strategies, including metal-site modulation, linker engineering, donor-acceptor coupling, dual-site construction, and microenvironmental regulation, to elucidate structure-function relationships in CO<sub>2</sub> activation and conversion. Remaining challenges, including operational stability, sacrificial-agent-free systems, C<sub>2+</sub> product formation, mechanistic understanding, and scalable fabrication, are critically examined. Emerging opportunities in computational design, operando characterization, multifunctional frameworks, and device integration are further discussed to advance metallolinker-COFs toward practical solar-driven carbon conversion technologies.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1976872"},"PeriodicalIF":5.3,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13701138/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149264998","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":"Novel indole derivatives containing a thiosemicarbazide moiety as potential antioxidant agents for fresh beef preservation.","authors":"Tao Wang, Lingling Xiao, Yanling Ren, Maozhao Wu, Yongfei Liu, Jian Tang, Shoumei Wan, Jing Peng","doi":"10.3389/fchem.2026.1994186","DOIUrl":"https://doi.org/10.3389/fchem.2026.1994186","url":null,"abstract":"<p><p>Oxidative stress is implicated in numerous pathological processes. Developing efficient, safe small-molecule antioxidants is of great medicinal interest. In this work, ten new indole derivatives bearing a thiosemicarbazide moiety (<b>4a-4j</b>) were synthesized and fully characterized by <sup>1</sup>H NMR, <sup>13</sup>C NMR, and HRMS. <i>In vitro</i> antioxidant assays indicated that all target compounds showed obvious free radical scavenging potency. Among them, compound 2-(3-(1<i>H</i>-indol-3-yl)propanoyl)-<i>N</i>-(4-chlorophenyl)hydrazine-1-carbothioamide (<b>4i</b>) displayed the strongest <i>in vitro</i> ABTS radical scavenging activity with an IC<sub>50</sub> = 0.96 μg/mL, remarkably lower than that of vitamin C (1.87 μg/mL). Compound <b>4i</b> also exhibited excellent <i>in vitro</i> DPPH scavenging efficiency (IC<sub>50</sub> = 2.95 μg/mL). Molecular docking and 100 ns molecular dynamics simulations predicted that compound <b>4i</b> stably bound to the catalytic pocket of human peroxiredoxin 5 (PDB ID: 1HD2). Meanwhile, <i>in silico</i> ADMET and drug-likeness predictions suggested favorable physicochemical properties, acceptable safety, and compliance with Lipinski's rule of five. Furthermore, application in a raw beef patty model revealed that compound <b>4i</b> effectively retarded myoglobin oxidation, suppressed pH elevation, and preserved red-color stability during refrigerated storage, exhibiting superior color-protection performance. Collectively, these findings highlight compound <b>4i</b> as a promising dual-purpose candidate, deserving further investigation both as an antioxidant lead for drug discovery and as a potential protective agent for raw meat preservation, with additional enzyme-level and food-safety assessments required.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1994186"},"PeriodicalIF":5.3,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13696517/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149265044","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}
Frontiers in ChemistryPub Date : 2026-10-12eCollection Date: 2026-01-01DOI: 10.3389/fchem.2026.1982602
Mahdi Hesari, Marysa Colvin
{"title":"Controlled sol-gel nanoassembly of Au<sub>25</sub>(SR)<sub>18</sub> nanoclusters for structural and functional integration.","authors":"Mahdi Hesari, Marysa Colvin","doi":"10.3389/fchem.2026.1982602","DOIUrl":"https://doi.org/10.3389/fchem.2026.1982602","url":null,"abstract":"<p><p>Structural assembly of nanomaterials imparts new and enhanced properties to individual components. The \"Sol-gel\" approach has been a traditional technique to connect diverse types of materials. Here, 3-mercaptopropyl (trimethoxysilane) (MPTS), a dual-functional ligand, has been employed to assemble one of the popular members of atomically precise nanoclusters-Au<sub>25</sub> <sup>-</sup> and connect individual nanoclusters via the formation of the Si(OR)<sub>4</sub> \"sol-gel\" network during the purification process. Depending on the purification procedure, a particle or film of Au<sub>25</sub>-SiO<sub>2</sub> was achieved and characterized using different techniques. The obtained superstructures of nanomaterials were utilized as a catalyst for the nitrophenol hydrogenation reaction, revealing a 2.5 times faster reaction rate of Au<sub>25</sub>-SiO<sub>2</sub>-film relative to the particle.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1982602"},"PeriodicalIF":5.3,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13696417/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149264993","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}
Frontiers in ChemistryPub Date : 2026-10-09eCollection Date: 2026-01-01DOI: 10.3389/fchem.2026.1981529
Xi Chen, Zhen Wang, Jiahao Gu, Yan Xue, Yang Xu, Yan Huang, Dongzhi Wang
{"title":"The stiffness of three-dimensional biomimetic matrices regulates insulin secretion via the Piezo1 mechanosensitive ion channel.","authors":"Xi Chen, Zhen Wang, Jiahao Gu, Yan Xue, Yang Xu, Yan Huang, Dongzhi Wang","doi":"10.3389/fchem.2026.1981529","DOIUrl":"https://doi.org/10.3389/fchem.2026.1981529","url":null,"abstract":"<p><strong>Introduction: </strong>The extracellular matrix (ECM) within the pancreatic microenvironment plays an integral role in the pathogenesis of diabetes. However, how matrix stiffness regulates islet β-cell function through mechanosensitive ion channels remains poorly understood.</p><p><strong>Methods: </strong>A three-dimensional biomimetic islet culture system with graded matrix stiffness was established using hyaluronic acid methacrylate (HAMA) hydrogels with different crosslinking times. MIN6 insulin-secreting cells were encapsulated in soft and stiff HAMA matrices, and cell viability, Piezo1 expression, intracellular Ca<sup>2+</sup> levels, β-cell function-related gene expression, and glucose-stimulated insulin secretion (GSIS) were evaluated. Pharmacological modulation of mechanosensitive ion channels and Piezo1 knockdown were used to investigate the potential role of Piezo1 in stiffness-dependent β-cell responses. RNA sequencing and pathway enrichment analyses were performed to identify signaling pathways associated with matrix stiffness. In addition, stiff or soft matrix-encapsulated MIN6 cells were transplanted into diabetic mice to evaluate in vivo glucose regulation and biocompatibility.</p><p><strong>Results: </strong>Stiffer HAMA hydrogels significantly increased Piezo1 expression in MIN6 cells and were associated with elevated intracellular Ca<sup>2+</sup> levels. Compared with the soft matrix, the stiff matrix significantly increased the expression of β-cell function-related genes, including Insulin, Pdx1, Mafa, and Nkx6-1, and enhanced insulin secretion under both basal and glucose-stimulated conditions. Pharmacological activation of Piezo1 in the soft matrix partially mimicked the effects of the stiff matrix, whereas inhibition of mechanosensitive ion channels reduced insulin-associated signals and β-cell function-related gene expression. RNA-seq and pathway enrichment analyses identified HIF-related signaling and metabolic pathways as potential molecular responses to matrix stiffness. However, the present data did not establish a direct mechanistic relationship between HIF signaling and Piezo1. In diabetic mice, transplantation of stiff matrix-encapsulated MIN6 cells was associated with improved blood glucose control during the observation period and showed good in vivo biocompatibility.</p><p><strong>Discussion: </strong>These findings indicate that matrix stiffness can modulate β-cell function and glucose-responsive insulin secretion within a three-dimensional microenvironment. Overall, this study provides evidence that biomechanical properties of the three-dimensional ECM may influence β-cell function and highlights matrix mechanics as a potential regulatory component of the islet microenvironment.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1981529"},"PeriodicalIF":5.3,"publicationDate":"2026-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13690767/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149243932","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}
Frontiers in ChemistryPub Date : 2026-10-08eCollection Date: 2026-01-01DOI: 10.3389/fchem.2026.1977068
Geon Her, Yeongo Oh, Hyungmo Kim, Seonghyeon Kim
{"title":"Flow measurement in high-temperature liquid metals and molten salts: principles, recent advances, and deployment challenges.","authors":"Geon Her, Yeongo Oh, Hyungmo Kim, Seonghyeon Kim","doi":"10.3389/fchem.2026.1977068","DOIUrl":"https://doi.org/10.3389/fchem.2026.1977068","url":null,"abstract":"<p><p>Next-generation energy systems-including sodium- and lead-cooled fast reactors, molten salt reactors, concentrating solar power, and fusion breeding blankets-rely on high-temperature liquid metals and molten salts operating at approximately 400 °C-700 °C, conditions under which conventional flow instrumentation becomes increasingly constrained. This Mini Review examines electromagnetic, ultrasonic, optical, differential-pressure, vortex, Coriolis, and thermal approaches to flow measurement, with an emphasis on the temperature-sensitive physical properties and sensor-fluid interfaces that govern measurement validity and practical deployment. Differences of several orders of magnitude in electrical conductivity between liquid metals and molten salts favor electromagnetic techniques in liquid metals, particularly sodium, while reducing the signal margin of conductivity-dependent inductive and Lorentz-force approaches in molten salts. Ultrasonic techniques are independent of electrical conductivity and have been demonstrated in high-temperature fluoride-salt loops, although acoustic coupling, thermal-interface stability, and long-term qualification remain important limitations. Across all principles, the central challenge is maintaining measurement validity in the presence of thermal drift, corrosion, changes in wetting, material degradation, and limited opportunities for recalibration. Future high-temperature flow instrumentation will therefore require not only thermally robust sensors but also measurement systems that incorporate condition diagnostics, reduced calibration dependence, and cross-validation between independent physical principles.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1977068"},"PeriodicalIF":5.3,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13688262/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149264978","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}
Frontiers in ChemistryPub Date : 2026-10-08eCollection Date: 2026-01-01DOI: 10.3389/fchem.2026.1951078
Xuexue Pan, Yi Zhao, Zhazira Supiyeva, Qamar Abbas
{"title":"Toward a sustainable future: paradigm shifts, challenges, and convergence in green synthesis strategies for carbon materials.","authors":"Xuexue Pan, Yi Zhao, Zhazira Supiyeva, Qamar Abbas","doi":"10.3389/fchem.2026.1951078","DOIUrl":"https://doi.org/10.3389/fchem.2026.1951078","url":null,"abstract":"<p><p>As a cornerstone of modern industry, carbon materials face fundamental challenges in sustainability, precise structural control, and energy consumption through traditional synthesis methods. This review systematically analyzes four emerging green synthesis strategies driving a paradigm shift in this field: innovation at the source using biomass-derived carbon precursors to implement a circular economy; template-assisted synthesis (exemplified by MOF-derived carbon) enabling engineered customization of materials at multiple hierarchical levels; novel physical methods such as rapid Joule heating and microwave technology, which, by extreme compression of energy and time, open up new efficient and energy-saving synthesis pathways; and bottom-up organic synthesis, representing the pinnacle of atom-precision manufacturing and ultimate electronic structure control. Using 'sustainability, precision, scalability' as the analytical framework, this article delves into the principles, advantages, and core bottlenecks of each strategy. Beyond reviewing individual techniques, this paper emphasizes the positioning, comparison, and potential integration of different strategies, aiming to map a future blueprint from 'extensive manufacturing' to 'green intelligent manufacturing.' Finally, we point out that future research should focus on deepening the understanding of synthesis mechanisms, integrating data intelligence, and establishing full lifecycle assessment standards, ultimately achieving on-demand design and intelligent manufacturing of sustainable carbon materials.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1951078"},"PeriodicalIF":5.3,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13688264/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149265035","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}
Frontiers in ChemistryPub Date : 2026-10-05eCollection Date: 2026-01-01DOI: 10.3389/fchem.2026.1908245
Bader Huwaimel, Saad Alqarni, Ali Alghubayshi, Talal Alotaibi, Hashem O Alsaab, Rami M Alzhrani, Amr S Abouzied
{"title":"Theoretical insights into rolicyclidine adsorption and sensing using modified C<sub>60</sub> fullerene.","authors":"Bader Huwaimel, Saad Alqarni, Ali Alghubayshi, Talal Alotaibi, Hashem O Alsaab, Rami M Alzhrani, Amr S Abouzied","doi":"10.3389/fchem.2026.1908245","DOIUrl":"10.3389/fchem.2026.1908245","url":null,"abstract":"<p><p>1-(1-Phenylcyclohexyl) pyrrolidine (Rolicyclidine (Php)) is a potent dissociative arylcyclohexylamine with psychotropic properties, and finding methods for rapid, accurate, and facile detection of Php by traditional analytical methods remains an ongoing challenge. To address this challenge, in this study, the structural, electronic, and adsorption properties of pristine and boron- and silicon-doped C<sub>60</sub> fullerenes (BC<sub>59</sub> and SiC<sub>59</sub>, respectively) were investigated using DFT theory to identify suitable candidates for Php adsorption and detection. The robustness of the predicted trends was assessed using the B97D/6-31G(d), ωB97XD/6-31G(d), and B97D/6-311G (d,p) computational levels, while selected calculated properties of pristine C<sub>60</sub> were compared with available experimental data. The calculations suggest that B and Si substitution modify the structural and electronic properties of pristine C<sub>60</sub>, with Si substitution producing the largest local structural distortion. The BSSE-corrected adsorption energies indicate relatively weak-to-moderate Php adsorption on C<sub>60</sub> and BC<sub>59</sub>, whereas SiC<sub>59</sub> is predicted to provide substantially stronger adsorption. At the B97D/6-31G(d) level, the corrected adsorption energies were -6.96, -8.04, and -38.79 kcal.mol<sup>-1</sup> for C<sub>60</sub>@Php, BC<sub>59</sub>@Php, and SiC<sub>59</sub>@Php, respectively. The additional B97D/6-311G (d,p) calculations produced the same qualitative adsorption trend, confirming that the main conclusions are not dependent on the selected basis set. Based on this comparative theoretical screening, SiC59 may be prioritized for experimental investigation as a strong Php-adsorption material, whereas BC59 may be prioritized as a candidate sensing material because of its predicted reversibility and comparatively large adsorption-induced electronic perturbation. These assignments represent theoretical screening results and require validation through material fabrication, selectivity testing, kinetic measurements, and evaluation under realistic operating conditions.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1908245"},"PeriodicalIF":5.3,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13677873/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149223706","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}
Frontiers in ChemistryPub Date : 2026-10-05eCollection Date: 2026-01-01DOI: 10.3389/fchem.2026.1952141
Bashar S Bashar, Hawraa A Kareem, Yaser Mohamad Hasan, Nafis Ahmad, A M Alshehri, Kadhum Al-Majdi, Salema K Hadrawi, Munthir Mohammed Radhy Al Kubaisy, Maytham T Qasim
{"title":"Correction: Application of novel Fe<sub>3</sub>O<sub>4</sub>/Zn-metal organic framework magnetic nanostructures as an antimicrobial agent and magnetic nanocatalyst in the synthesis of heterocyclic compounds.","authors":"Bashar S Bashar, Hawraa A Kareem, Yaser Mohamad Hasan, Nafis Ahmad, A M Alshehri, Kadhum Al-Majdi, Salema K Hadrawi, Munthir Mohammed Radhy Al Kubaisy, Maytham T Qasim","doi":"10.3389/fchem.2026.1952141","DOIUrl":"https://doi.org/10.3389/fchem.2026.1952141","url":null,"abstract":"<p><p>[This corrects the article DOI: 10.3389/fchem.2022.1014731.].</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"14 ","pages":"1952141"},"PeriodicalIF":5.3,"publicationDate":"2026-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13678581/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149223711","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}