MoleculesPub Date : 2025-06-03DOI: 10.3390/molecules30112455
Nawoda L Kapuge Dona, Rhett C Smith
{"title":"Tailoring Polymer Properties Through Lignin Addition: A Recent Perspective on Lignin-Derived Polymer Modifications.","authors":"Nawoda L Kapuge Dona, Rhett C Smith","doi":"10.3390/molecules30112455","DOIUrl":"10.3390/molecules30112455","url":null,"abstract":"<p><p>Lignin, an abundant and renewable biopolymer, has gained significant attention as a sustainable modifier and building block in polymeric materials. Recent advancements highlight its potential to tailor mechanical, thermal, and barrier properties of polymers while offering a greener alternative to petroleum-based additives. This review provides an updated perspective on the incorporation of lignin into various polymer matrices, focusing on lignin modification techniques, structure-property relationships, and emerging applications. Special emphasis is given to recent innovations in lignin functionalization and its role in developing high-performance, biodegradable, and recyclable materials such as polyurethanes, epoxy resins, phenol-formaldehyde resins, lignin-modified composites, and lignin-based films, coatings, elastomers, and adhesives. These lignin-based materials are gaining attention for potential applications in construction, automated industries, packaging, textiles, wastewater treatment, footwear, supporting goods, automobiles, printing rollers, sealants, and binders.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12155993/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285682","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis of Cyclic Hexapeptides via the Hydrazide Method and Evaluation of Their Antibacterial Activities.","authors":"Yunfei Cui, Meng Liu, Binghui Ruan, Zhouyuji Liao, Xue Tang, Dongting Zhangsun, Yong Wu, Sulan Luo","doi":"10.3390/molecules30112444","DOIUrl":"10.3390/molecules30112444","url":null,"abstract":"<p><p>Antimicrobial peptides (AMPs) have emerged as promising candidates in the fight against multidrug-resistant pathogens due to their broad-spectrum antimicrobial activity and low potential for resistance development. However, their clinical application is limited by poor stability and susceptibility to enzymatic degradation. This study aims to address these limitations by synthesizing a series of cyclic hexapeptides using the hydrazide method and evaluating their antimicrobial activity and stability. The hydrazide method facilitated the synthesis of 11 cyclic peptides through a reaction between C-terminal hydrazides and cysteine-containing peptides. Antimicrobial assays showed that Cy-f2 and Cy-f4 exhibited potent inhibitory effects against different kinds of bacteria, including <i>E. coli</i>, <i>Staphylococcus aureus</i>, and <i>S. aureus</i>. Hemolysis assays revealed minimal red blood cell lysis at effective antimicrobial concentrations, indicating good biocompatibility. Stability tests demonstrated improved stability of the cyclic peptides compared to linear counterparts in SGF and 80 °C. In conclusion, the cyclic hexapeptides synthesized in this study demonstrate excellent antimicrobial activity, enhanced stability, and low toxicity, suggesting their potential as new candidates for treating drug-resistant bacterial infections.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156185/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-06-03DOI: 10.3390/molecules30112451
Jia Yu, Xinyan Zhao, Yuqi He, Yi Zhang, Ce Tang
{"title":"An Innovative Strategy for Untargeted Mass Spectrometry Data Analysis: Rapid Chemical Profiling of the Medicinal Plant <i>Terminalia chebula</i> Using Ultra-High-Performance Liquid Chromatography Coupled with Q/TOF Mass Spectrometry-Key Ion Diagnostics-Neutral Loss Filtering.","authors":"Jia Yu, Xinyan Zhao, Yuqi He, Yi Zhang, Ce Tang","doi":"10.3390/molecules30112451","DOIUrl":"10.3390/molecules30112451","url":null,"abstract":"<p><p>Structural characterization of natural products in complex herbal extracts remains a major challenge in phytochemical analysis. In this study, we present a novel post-acquisition data-processing strategy-key ion diagnostics-neutral loss filtering (KID-NLF)-combined with ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q/TOF-MS) for systematic profiling of the medicinal plant <i>Terminalia chebula</i>. The strategy consists of four main steps. First, untargeted data are acquired in negative electrospray ionization (ESI<sup>-</sup>) mode. Second, a genus-specific diagnostic ion database is constructed by leveraging characteristic fragment ions (e.g., gallic acid, chebuloyl, and HHDP groups) and conserved substructures. Third, MS/MS data are high-resolution filtered using key ion diagnostics and neutral loss patterns (302 Da for HHDP; 320 Da for chebuloyl). Finally, structures are elucidated via detailed spectral analysis. The methanol extract of <i>T. chebula</i> was separated on a C18 column using a gradient of acetonitrile and 0.1% aqueous formic acid within 33 min. This separation enabled detection of 164 compounds, of which 47 were reported for the first time. Based on fragmentation pathways and diagnostic ions (e.g., <i>m</i>/<i>z</i> 169 for gallic acid, <i>m</i>/<i>z</i> 301 for ellagic acid, and neutral losses of 152, 302, and 320 Da), the compounds were classified into three major groups: gallic acid derivatives, ellagitannins (containing HHDP, chebuloyl, or neochebuloyl moieties), and triterpenoid glycosides. KID-NLF overcomes key limitations of conventional workflows-namely, isomer discrimination and detection of low-abundance compounds-by exploiting genus-specific structural signatures. This strategy demonstrates high efficiency in resolving complex polyphenolic and triterpenoid profiles and enables rapid annotation of both known and novel metabolites. This study highlights KID-NLF as a robust framework for phytochemical analysis in species with high chemical complexity. It also paves the way for applications in quality control, drug discovery, and mechanistic studies of medicinal plants.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12157847/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285542","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-06-03DOI: 10.3390/molecules30112453
Hisashi Kato-Noguchi, Midori Kato
{"title":"Evolution of the Defense Compounds Against Biotic Stressors in the Invasive Plant Species <i>Leucaena leucocephala</i>.","authors":"Hisashi Kato-Noguchi, Midori Kato","doi":"10.3390/molecules30112453","DOIUrl":"10.3390/molecules30112453","url":null,"abstract":"<p><p><i>Leucaena leucocephala</i> (Lam.) de Wit is listed in the world's 100 worst alien invasive species because of the risks it poses to native plant communities. Life history traits, such as high growth and reproductive rates, and a high capacity to adapt to different environmental conditions may contribute to its invasive properties. Biotic stressors, such as herbivores, pathogens, and competing plant species are known to exert significant selective pressure on the plant's survival, distribution, and abundance. <i>L. leucocephala</i> has been reported to contain several compounds involved in the defense functions against these biotic stressors. A large amount of L-mimosine, a non-protein amino acid, was found in all plant parts of <i>L. leucocephala</i>, including its flowers. L-Mimosine is toxic to herbivorous mammals and insects, parasitic nematodes, pathogenic fungi, and neighboring competing plant species by inactivating various essential enzymes and blocking DNA replication, and/or inducing oxidative stress conditions. Several flavonoids, polyphenolic compounds, and/or derivatives of benzoic and cinnamic acids are toxic to parasitic nematodes, pathogenic fungi and bacteria, and competing plant species by disrupting plasma membrane structures and functions, and various metabolic processes. These compounds may represent the invasive traits of <i>L. leucocephala</i> that have undergone natural selection during the evolution of the species. They may contribute to the defense functions against the biotic stressors, and increase its survival, distribution, and abundance in the introduced ranges. This is the first review to focus on the compounds involved in the defense functions against biotic stressors.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12157136/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285590","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-06-03DOI: 10.3390/molecules30112446
Matthieu Roignant, Jimmy Richard, Maxime Donzel, Matthias Rottmann, Pascal Mäser, Elisabeth Davioud-Charvet
{"title":"Design, Synthesis and Antiplasmodial Activities of a Library of Fluorine-Based 3-Benzylmenadiones.","authors":"Matthieu Roignant, Jimmy Richard, Maxime Donzel, Matthias Rottmann, Pascal Mäser, Elisabeth Davioud-Charvet","doi":"10.3390/molecules30112446","DOIUrl":"10.3390/molecules30112446","url":null,"abstract":"<p><p>Plasmodione is a potent early antiplasmodial compound. A metabolic study on mice treated with plasmodione revealed that 6-hydroxy-plasmodione was the main metabolite eliminated in the urine of treated mice. To block the metabolic pathway in the host, the introduction of fluorine at C-6 of the 3-benzylmenadione core was applied and showed potent antiplasmodial activity similar to that of the plasmodione analogue in vitro. In this work, a library of 38 6-fluoro-3-benzylmenadione analogues (<i>a</i> series) was constructed by incorporating structurally diverse groups in place of the 4-(trifluoromethyl) substituent present in the antiplasmodial plasmodione, via three synthetic routes. All new compounds were tested against the <i>P. falciparum</i> NF54 strain and for cytotoxicity with the rat L6 line. With a fluorine atom at C-6, <b>A-a-21</b> was revealed to be the only compound from the <i>a</i> series, superior to the 6-H- analogue from the <i>b</i> series, with an IC<sub>50</sub> value of 70 nM versus 200 nM. Then, five other fluorine-based 3-benzylmenadiones, in which the fluorine was introduced in various positions of the 3-benzylmenadione core, were synthetized to assist our understanding of the impact of fluorine on antiplasmodial potencies in vitro; in particular, the aim here was to compare the effects of human serum and <i>P. berghei</i> species in these drug screens. This was also conducted in vivo with the <i>P. berghei</i>-infected mouse model. In the <i>P. berghei</i> species assay, PD and the 4'-fluoro-3'-trifluoromethyl-benzylmenadione <b>A-b-9</b> exhibited a similar antiplasmodial behavior toward <i>P. falciparum</i> versus <i>P. berghei.</i> In the human serum versus Albumax assays, only the 6-fluoro-plasmodione showed a lower shift factor between Albumax assays and human serum conditions, suggesting a lower protein binding for the 6-F-PD compared to plasmodione or <b>A-b-9</b>. In vivo, 6-fluoro-plasmodione proved to be the most potent 3-benzylmenadione, reducing parasitemia by 50% after oral administration at 50 mg/kg.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156041/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285618","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-06-03DOI: 10.3390/molecules30112449
Johannes Stöckelmaier, Tümay Capraz, Chris Oostenbrink
{"title":"Umbrella Refinement of Ensembles-An Alternative View of Ensemble Optimization.","authors":"Johannes Stöckelmaier, Tümay Capraz, Chris Oostenbrink","doi":"10.3390/molecules30112449","DOIUrl":"10.3390/molecules30112449","url":null,"abstract":"<p><p>The elucidation of protein dynamics, especially in the context of intrinsically disordered proteins, is challenging and requires cooperation between experimental studies and computational analysis. Molecular dynamics simulations are an essential investigation tool but often struggle to accurately quantify the conformational preferences of flexible proteins. To create a quantitatively validated conformational ensemble, such simulations may be refined with experimental data using Bayesian and maximum entropy methods. In this study, we present a method to optimize a conformational ensemble using Bayes' theorem in connection with a methodology derived from Umbrella Sampling. The resulting method, called the Umbrella Refinement of Ensembles (URE), reduces the number of parameters to be optimized in comparison to the classical Bayesian Ensemble Refinement and remains methodologically suitable for use with the forward formulated Kullback-Leibler divergence. The method is validated using two established systems, an alanine-alanine zwitterion and the chignolin peptide, using nuclear magnetic resonance data from the literature.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156320/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285761","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-06-03DOI: 10.3390/molecules30112454
Marin Popović, Suresh Kumar Pandey, Josipa Papac Zjačić, Vladimir Dananić, Marijana Kraljić Roković, Marin Kovačić, Hrvoje Kušić, Andraž Šuligoj, Urška Lavrenčič Štangar, Ana Lončarić Božić
{"title":"Elucidating Semiconducting Properties and Photocatalytic Performance of Surface-Decorated BiVO<sub>4</sub> for the Removal of Contaminants of Emerging Concern.","authors":"Marin Popović, Suresh Kumar Pandey, Josipa Papac Zjačić, Vladimir Dananić, Marijana Kraljić Roković, Marin Kovačić, Hrvoje Kušić, Andraž Šuligoj, Urška Lavrenčič Štangar, Ana Lončarić Božić","doi":"10.3390/molecules30112454","DOIUrl":"10.3390/molecules30112454","url":null,"abstract":"<p><p>Photocatalysis has been shown to be a promising and ecofriendly approach to the removal of contaminants of emerging concern (CECs). However, preventing the recombination of photogenerated charge carriers and achievement of suitable band edge positions are still major challenges to ensuring better performance. Herein, we report the preparation of surface-decorated BiVO<sub>4</sub> with both a noble metal (Ag) and transition metal (Fe). The structural, morphological, and semiconducting features of the material were examined employing various techniques (XRD, SEM, UV-DRS, PL, and photoelectrochemical tests). The band gap of surface-modified BiVO<sub>4</sub> is slightly narrower compared to pristine material, which is further validated by HOMO-LUMO gaps obtained through theoretical modeling approaches. The recombination of photogenerated charges was successfully reduced in the case of Ag-Fe-BiVO<sub>4</sub>, as proven by lower PL intensity and increased current density. The comparative photocatalytic degradation of the CECs ciprofloxacin (CIP) and perfluorooctanoic acid (PFOA) was conducted employing pristine BiVO<sub>4</sub> and its two surface-modified analogues (Ag-BiVO<sub>4</sub>, and Ag-Fe-BiVO<sub>4</sub>) under solar light. Ag-Fe-BiVO<sub>4</sub> was shown to be the most efficient; however, its effectiveness differed depending on CEC type. Under the same process conditions, degradation of CIP reached 93.9%, while PFOA was degraded only partially (22.9%).</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156358/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285584","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-06-03DOI: 10.3390/molecules30112443
Mateus Frazao, Daniela Espinoza, Sergio Canales-Muñoz, Catalina Millán-Hidalgo, Benjamín Ulloa-Sarmiento, Ivana Orellana, J Andrés Rivas-Pardo, Mónica Imarai, Eva Vallejos-Vidal, Felipe E Reyes-López, Daniela Toro-Ascuy, Sebastián Reyes-Cerpa
{"title":"Andrographolide and Fucoidan Induce a Synergistic Antiviral Response In Vitro Against Infectious Pancreatic Necrosis Virus.","authors":"Mateus Frazao, Daniela Espinoza, Sergio Canales-Muñoz, Catalina Millán-Hidalgo, Benjamín Ulloa-Sarmiento, Ivana Orellana, J Andrés Rivas-Pardo, Mónica Imarai, Eva Vallejos-Vidal, Felipe E Reyes-López, Daniela Toro-Ascuy, Sebastián Reyes-Cerpa","doi":"10.3390/molecules30112443","DOIUrl":"10.3390/molecules30112443","url":null,"abstract":"<p><p>Andrographolide, fucoidan, or a combination of both compounds were evaluated to determine their effects on the antiviral response in the Atlantic salmon macrophage-like cell line (SHK-1) infected with infectious pancreatic necrosis virus (IPNV). We assessed the transcript expression levels of key molecules involved in the interferon (IFN)-dependent antiviral response, as well as the viral load in cells treated with these compounds. In non-infected cells, incubation with either fucoidan, andrographolide, or a mixture of both resulted in an increase in the transcript expression of IFNα1 and various interferon-stimulated genes (ISGs). In IPNV-infected cells, treatment with either fucoidan or andrographolide separately did not significantly enhance the antiviral response compared to that of infected cells that had not previously been treated with these compounds. In contrast, the combination of andrographolide and fucoidan led to a marked increase in the transcript expression of viperin and a significant reduction in viral load. Overall, combining andrographolide and fucoidan resulted in a greater reduction in IPNV viral load in infected cells than that noted when the compounds were administered individually. Our findings suggest that pre-incubation with this mixture promotes the establishment of a protective antiviral state against IPNV, likely mediated by an IFN-dependent response.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156450/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-06-03DOI: 10.3390/molecules30112442
Hendy Suhendy, Muhamad Insanu, Irda Fidrianny
{"title":"Extracts, Fractions, and Subfractions from Purple-Orange Sweet Potato (<i>Ipomoea batatas</i> L.): Xanthine Oxidase Inhibitory Potential and Antioxidant Properties.","authors":"Hendy Suhendy, Muhamad Insanu, Irda Fidrianny","doi":"10.3390/molecules30112442","DOIUrl":"10.3390/molecules30112442","url":null,"abstract":"<p><p>Previous research has shown that fractions outperformed extracts in pharmacological activity and safety. This study assessed the total phenol and flavonoid content, as well as antioxidant and xanthine oxidase inhibitory (XOI) activities, of purple-orange sweet potato extracts, fractions, and subfractions. Using UV-visible spectrophotometry, the leaves showed the highest values for total phenol, flavonoid, 2,2-diphenyl-1-picrylhydrazyl (DPPH), Ferric Reducing Antioxidant Power (FRAP), Cupric Ion Reducing Antioxidant Capacity (CUPRAC) assays, and XOI activity. The sequential extraction of the leaves yielded ethyl acetate extract as the most potent, with a yield of 10.4%, a DPPH assay result of 511.212 ± 0.416 mg ascorbic acid equivalent antioxidant capacity (AEAC)/g, and XOI activity of 45.192 ± 4.981 mg allopurinol equivalent xanthine inhibitory capacity (AEXIC)/g. CF5 had the greatest DPPH assay (158.475 ± 0.170 mg AEAC/g), FRAP assay (86.849 ± 0.048 mg AEAC/g), CUPRAC assay (1008.892 ± 1.620 mg AEAC/g), and XOI activity (6.062 ± 1.730 mg AEXIC/g) values. Subfraction CSF3 from fraction CF5 was analyzed using UPLC-MS/MS and revealed the presence of compounds such as cholest-4-en-3-one, 4-hydroxy-6-[2-(2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl) ethyl] oxan-2-one, tangeritin, 4-methyl benzophenone, benzophenone, (+)-ar-turmerone, 4-methoxycinnamic acid, and ricinine. This study was the first to report xanthine oxidase inhibitory activity in allopurinol equivalence. The leaves of the purple-orange sweet potato showed potential as a source of natural antioxidants.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156142/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285636","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
MoleculesPub Date : 2025-06-02DOI: 10.3390/molecules30112439
Ignacio Cameán, Belén Lobato, Rachelle Omnée, Encarnación Raymundo-Piñero, Ana B García
{"title":"Optimization of Textural and Structural Properties of Carbon Materials for Sodium Dual-Ion Battery Electrodes.","authors":"Ignacio Cameán, Belén Lobato, Rachelle Omnée, Encarnación Raymundo-Piñero, Ana B García","doi":"10.3390/molecules30112439","DOIUrl":"10.3390/molecules30112439","url":null,"abstract":"<p><p>Sodium dual-ion batteries combine economic and environmental benefits by using carbon materials in both electrodes and sodium compounds in the electrolyte. Among other factors, their successful implementation for energy storage relies on optimization of the properties of the carbon electrode materials. To this end, carbon materials with a wide range of textural and structural properties were prepared by simply heat treating a single porous carbon in the absence or presence of a low-cost highly effective iron-based catalyst. These materials were investigated as anode or cathode in the sodium dual-ion batteries by prolonged galvanostatic cycling. The optimal textural and structural properties for carbon materials to achieve the best performance as electrodes in sodium dual-ion batteries were identified as having a high degree of graphitic structural order combined with minimal microporosity in the cathode and a non-graphitic structure with a layer spacing of around 0.37 nm and moderate microporosity in the anode.</p>","PeriodicalId":19041,"journal":{"name":"Molecules","volume":"30 11","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12156141/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144285713","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}