RSC Advances最新文献

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Synthesis and foaming of a novel type of porous geopolymer material via salt activation 一种新型多孔地聚合物材料的盐活化合成与发泡。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA05707H
Goryunova Kristina and Gahramanli Yunis
{"title":"Synthesis and foaming of a novel type of porous geopolymer material via salt activation","authors":"Goryunova Kristina and Gahramanli Yunis","doi":"10.1039/D5RA05707H","DOIUrl":"10.1039/D5RA05707H","url":null,"abstract":"<p >The construction industry's dependency on Portland cement and its poor recycling of construction and demolition waste (CDW) significantly contribute to global CO<small><sub>2</sub></small> emissions and environmental degradation. This study presents the synthesis and characterization of an innovative, foamed geopolymer material derived from ceramic waste (waste bricks), activated with sodium dihydrogen phosphate and foamed using calcium carbonate and citric acid. The research aims to develop sustainable thermal insulation materials through salt activation, an underexplored alternative to traditional alkali activation. The effects of varying foaming agent content and foaming activator concentration on density, porosity, thermal conductivity, and mechanical strength were systematically investigated. The most suitable parameters yielded a bulk density as low as 525 kg m<small><sup>−3</sup></small> and thermal conductivity of 0.00998 W (m K)<small><sup>−1</sup></small>, placing the material among the most efficient thermal insulators. True porosity reached up to 68.3%, while compressive strength ranged from 0.4 to 9.37 MPa. Microstructural analysis confirmed a hybrid aluminosilicate-phosphate network with tunable pore morphology. These results demonstrate that salt-activated geopolymers can serve as eco-friendly, low-carbon materials or have use in insulation applications, offering a viable approach to both waste valorization and CO<small><sub>2</sub></small> mitigation in construction.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 39832-39846"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538389/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342176","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}
引用次数: 0
Probing the hydrogen bonding of guest functional groups with [2.2.2]-cryptand/KF host vs. with solvent by 19F-NMR spectroscopy 用19F-NMR光谱法探测[2.2.2]-cryptand/KF主体与溶剂的客体官能团氢键。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA06750B
So Yeon Lee, Young-Ho Oh, Han Bin Oh and Sungyul Lee
{"title":"Probing the hydrogen bonding of guest functional groups with [2.2.2]-cryptand/KF host vs. with solvent by 19F-NMR spectroscopy","authors":"So Yeon Lee, Young-Ho Oh, Han Bin Oh and Sungyul Lee","doi":"10.1039/D5RA06750B","DOIUrl":"10.1039/D5RA06750B","url":null,"abstract":"<p >We present a method for probing the local environment surrounding ammonium, hydroxyl, and carboxyl functional groups in solution by analyzing the <small><sup>19</sup></small>F-NMR chemical shifts of [2.2.2]-cryptand ([2.2.2])/KF/protonated amino acid (AAH<small><sup>+</sup></small>) complexes. Specifically, we examine two competing structural features-solvation of guest functional groups <em>versus</em> complexation with the host-by monitoring hydrogen bonding interactions in deuterated ethylene glycol (EG-<em>d</em><small><sub>6</sub></small>) and deuterated acetonitrile (CD<small><sub>3</sub></small>CN). Model systems including [2.2.2]/KF/NH<small><sub>4</sub></small><small><sup>+</sup></small>Cl<small><sup>−</sup></small>, [2.2.2]/KF/choline<small><sup>+</sup></small>Cl<small><sup>−</sup></small> ([2.2.2]/KF/Ch<small><sup>+</sup></small>Cl<small><sup>−</sup></small>), and 24-crown-8/CsF/betaine/H<small><sup>+</sup></small>Cl<small><sup>−</sup></small> were employed to benchmark the chemical shift signatures associated with specific hydrogen bonding motifs. Based on the observed <small><sup>19</sup></small>F NMR peaks, we assign the structures of [2.2/2]/AAH<small><sup>+</sup></small> (AA = proline (Pro), threonine (Thr)) complexes in each solvent. In EG-<em>d</em><small><sub>6</sub></small>, both complexes exhibit [–NH<small><sub>3</sub></small><small><sup>+</sup></small>⋯F<small><sup>−</sup></small>] hydrogen bonding, while the carboxyl group in ProH<small><sup>+</sup></small> and the carboxyl and hydroxyl groups in ThrH<small><sup>+</sup></small> remain solvated and unbound to the host. In contrast, in CD<small><sub>3</sub></small>CN, the carboxyl group in ProH<small><sup>+</sup></small> and both the carboxyl and ammonium groups in ThrH<small><sup>+</sup></small> directly engage in hydrogen bonding with F<small><sup>−</sup></small>. These findings support the use of <small><sup>19</sup></small>F-NMR spectroscopy as a sensitive probe of the [2.2.2]/KF/protonated amino acid system in solution and provide insight into potential structural correlations between solution-phase and gas-phase complexes.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 39864-39870"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538280/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342186","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}
引用次数: 0
A new flavanone and other constituents from the rhizomes of Polygonum amplexicaule var. sinense and their effect on osteoblastic MC3T3-E1 cells 大黄根新黄酮及其它成分对成骨细胞MC3T3-E1的影响。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA04691B
Xi-peng Li, Ying-zhou Fu, Bin Li, Jun-yu Chen, Yu-xia Zhang, Wen-lei Wang, Jing-yuan Guo and Gen-yun Tang
{"title":"A new flavanone and other constituents from the rhizomes of Polygonum amplexicaule var. sinense and their effect on osteoblastic MC3T3-E1 cells","authors":"Xi-peng Li, Ying-zhou Fu, Bin Li, Jun-yu Chen, Yu-xia Zhang, Wen-lei Wang, Jing-yuan Guo and Gen-yun Tang","doi":"10.1039/D5RA04691B","DOIUrl":"10.1039/D5RA04691B","url":null,"abstract":"<p >The phytochemical investigation of the ethyl acetate fraction of 95% ethanol extract from the rhizomes of <em>Polygonum amplexicaule</em> led to the isolation of thirty compounds, including a new flavanone, (2<em>S</em>)-6-methyl-8-isobutylenepinocembrin (<strong>1</strong>), along with ten flavonoids (<strong>2–11</strong>), three lignins (<strong>12–14</strong>), five anthraquinones (<strong>15–19</strong>), one stilbene (<strong>20</strong>), one phenylpropene (<strong>21</strong>), two chromones (<strong>23–24</strong>), five phenol derivatives (<strong>22</strong>, <strong>27–30</strong>), aiapin (<strong>25</strong>) and β-sitosterol (<strong>26</strong>). The structural characterization of the isolated compounds was elucidated by extensive spectroscopic data and comparison with the literature. Compound <strong>1</strong> is the first naturally occurring flavonoid containing a C4 fragment side chain. Twelve compounds (<strong>1</strong>, <strong>10–15</strong>, <strong>17</strong>, <strong>18</strong>, <strong>20–22</strong>) were isolated for the first time from the species <em>P. amplexicaule.</em> Compounds <strong>1</strong> and <strong>10–14</strong> were reported from the genus <em>Polygonum</em> and the family Polygonaceae for the first time. The chemotaxonomic importance of these metabolites is therefore discussed. Meanwhile, we verified the effects of <em>P. amplexicaule</em> extracts on the proliferation, differentiation, and mineralization activity of MC3T3-E1 cells, which will also help gain a deeper understanding of the pharmacological effects of this traditional Chinese medicine in fracture repair.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 40021-40029"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538672/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342190","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}
引用次数: 0
Integration of gold nanoparticles into SnS for enhanced peroxidase-like activity and colorimetric detection of ascorbic acid in fruit juice 金纳米颗粒整合到SnS中增强过氧化物酶样活性和比色法检测果汁中的抗坏血酸。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA05712D
Chung-Tu-Nhi Truong, Van-Dung Le, Van-Dat Doan, Vinh-Thien Tran, Tran Thi Kim Chi, Tran Thi Huong Giang, T. Ngoc-Han Pham, Cao-Hien Nguyen, Nguyen Thi Thanh Tu and Thanh-Danh Nguyen
{"title":"Integration of gold nanoparticles into SnS for enhanced peroxidase-like activity and colorimetric detection of ascorbic acid in fruit juice","authors":"Chung-Tu-Nhi Truong, Van-Dung Le, Van-Dat Doan, Vinh-Thien Tran, Tran Thi Kim Chi, Tran Thi Huong Giang, T. Ngoc-Han Pham, Cao-Hien Nguyen, Nguyen Thi Thanh Tu and Thanh-Danh Nguyen","doi":"10.1039/D5RA05712D","DOIUrl":"10.1039/D5RA05712D","url":null,"abstract":"<p >A gold/tin(<small>II</small>) sulfide (AuNPs/SnS) nanocomposite was developed as an efficient peroxidase-mimicking nanozyme for colorimetric sensing. Uniformly dispersed Au nanoparticles (∼12.0 nm) on the SnS surface created a synergistic interface that significantly enhanced catalytic performance compared with individual components. Under optimized conditions, the nanozyme exhibited a strong peroxidase-like response toward the oxidation of 3,3′,5,5′-tetramethylbenzidine (TMB) by H<small><sub>2</sub></small>O<small><sub>2</sub></small>, showing excellent linearity (0–1.14 mM, <em>R</em><small><sup>2</sup></small> = 0.9996) and a low detection limit (LOD) of 0.0022 mM. The system was further applied for ascorbic acid (AA) quantification through ox-TMB reduction, achieving a detection limit of 1.94 μM, a quantification limit of 6.48 μM, and recovery values of 99.7–102.3% in commercial fruit juices. Results were in good agreement with HPLC analysis, confirming analytical reliability. This study highlights the AuNPs/SnS nanocomposite as a robust, cost-effective, and sensitive alternative to natural peroxidases for practical food analysis and colorimetric biosensing.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 40030-40042"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538560/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342224","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}
引用次数: 0
Repurposing disposable medical syringes into valuable fluorescent carbon dots: application to the fluorometric determination of nintedanib 将一次性医用注射器转化为有价值的荧光碳点:在尼达尼布荧光测定中的应用。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA07196H
Mohamed N. Goda, Laila S. Alqarni, K. S. Al-Namshah, Hossieny Ibrahim, Al-Montaser Bellah H. Ali and Mohamed M. El-Wekil
{"title":"Repurposing disposable medical syringes into valuable fluorescent carbon dots: application to the fluorometric determination of nintedanib","authors":"Mohamed N. Goda, Laila S. Alqarni, K. S. Al-Namshah, Hossieny Ibrahim, Al-Montaser Bellah H. Ali and Mohamed M. El-Wekil","doi":"10.1039/D5RA07196H","DOIUrl":"10.1039/D5RA07196H","url":null,"abstract":"<p >Monitoring nintedanib (NTB) using reliable analytical methods is essential for ensuring safe dosing, minimizing toxicity, assessing drug–drug interactions, and supporting quality control in personalized cancer therapy. In this work, we present a cost-effective and energy-efficient hydrothermal strategy for synthesizing nitrogen-doped carbon dots (CDs) from disposable plastic syringes. The process, carried out at 200 °C following a calcination pretreatment, not only provides a sustainable route for valorizing biomedical waste but also addresses pressing environmental challenges. The as-prepared CDs exhibited intense green fluorescence, outstanding photostability, and a high quantum yield of 46.42%, reflecting their superior optical performance. Upon exposure to NTB, a concentration-dependent quenching response at 470 nm was observed, primarily mediated by the inner filter effect (IFE). This mechanism enabled highly sensitive NTB detection, with an ultralow detection limit of 2.5 nM (S/N = 3). The probe demonstrated remarkable selectivity, showing negligible interference from common coexisting ions, biomolecules, and anticancer drugs. Analytical accuracy was validated by recovery studies in spiked serum and urine samples, which ranged from 97.6% to 103.2%, while RSD values below 3.48% confirmed excellent precision and reproducibility. These findings establish the proposed CD-based probe as a robust, reproducible, and clinically relevant tool for NTB quantification. By demonstrating the conversion of discarded medical plastics into high-value nanomaterials, this work presents a strategy that aligns with the goals of green nanotechnology and delivers a practical platform for bioanalytical sensing, therapeutic drug monitoring, and pharmacokinetic studies. The dual focus on waste repurposing and clinical utility underscores the potential the potential of syringe plastic-derived CDs for translation into next-generation biomedical diagnostics.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 40093-40102"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12539334/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342235","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}
引用次数: 0
Unraveling Lewis base substitution in ansa-type frustrated Lewis pairs: how N → P replacement redefines adduct stability and H2 activation 揭示ansa型受挫Lewis对中的Lewis碱取代:N→P取代如何重新定义加合物稳定性和H2活化。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA06998J
César Barrales-Martínez, Javier Rosales-Rojas, Julio Caballero and Rocío Durán
{"title":"Unraveling Lewis base substitution in ansa-type frustrated Lewis pairs: how N → P replacement redefines adduct stability and H2 activation","authors":"César Barrales-Martínez, Javier Rosales-Rojas, Julio Caballero and Rocío Durán","doi":"10.1039/D5RA06998J","DOIUrl":"10.1039/D5RA06998J","url":null,"abstract":"<p >This study investigates, through quantum-chemical calculations, how replacing nitrogen with phosphorus in <em>ansa</em>-type frustrated Lewis pairs reshapes both the FLP–CLA equilibrium and H<small><sub>2</sub></small> activation thermodynamics. Energy decomposition analysis shows that the stabilization of <em>ansa</em>-phosphinoborane adducts arises mainly from steric relief, which compensates for weaker donor–acceptor interactions. For H<small><sub>2</sub></small> activation, the energetic effect of Lewis base substitution reaches up to 35.9 kcal mol<small><sup>−1</sup></small> and correlates directly with the proton affinity differences between the corresponding amines and phosphines. This correlation identifies proton affinity as a predictive descriptor of reactivity. By establishing how N → P substitution redefines the steric–electronic balance controlling adduct stability and H<small><sub>2</sub></small> cleavage, this work provides conceptual design principles for tailoring frustrated Lewis pairs. These insights advance the molecular-level understanding of main-group systems and support the rational development of next-generation metal-free hydrogenation catalysts under sustainable conditions.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 39931-39940"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538387/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342293","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}
引用次数: 0
Biobased diblock copolymers and associated reactivity ratios via RAFT-polymerisation as new dispersing additives 生物基二嵌段共聚物及其作为新型分散添加剂的反应性。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA06866E
Lea Viktoria Rubbert, Philipp Knospe, Sebastian Weiß, Maximilian Scherübl, Lukas Wander, Jochen S. Gutmann and Michael Dornbusch
{"title":"Biobased diblock copolymers and associated reactivity ratios via RAFT-polymerisation as new dispersing additives","authors":"Lea Viktoria Rubbert, Philipp Knospe, Sebastian Weiß, Maximilian Scherübl, Lukas Wander, Jochen S. Gutmann and Michael Dornbusch","doi":"10.1039/D5RA06866E","DOIUrl":"10.1039/D5RA06866E","url":null,"abstract":"<p >Diblock copolymers with structural heterogeneity, made of monomers based on renewable resources were investigated as dispersing additives for nonpolar coating systems. Reversible addition–fragmentation transfer (RAFT) polymerisation was used to obtain (diblock co)polymers with tailor-made structures and molecular weights <em>M</em><small><sub>w</sub></small>. For this purpose methacrylates derived from oleyl alcohol and eugenol, were utilized. The reaction kinetics of controlled and free radical polymerisation processes for methacrylated eugenol (4-allyl-2-methoxyphenyl methacrylate) (<strong>1</strong>) and methacrylated oleyl alcohol (octadec-9-en-1-yl methacrylate) (<strong>2</strong>) were investigated. In addition, commercially available methacrylates – including methyl methacrylate (<strong>3</strong>), methacrylic acid (<strong>4</strong>), benzyl methacrylate (<strong>5</strong>) and stearyl methacrylate (<strong>6</strong>) were used for building diblock copolymers. Reaction kinetics of the homopolymers <strong>3</strong> and <strong>6</strong> were compared to those of methacrylates <strong>1</strong> and <strong>2</strong>. By RAFT-Polymerisation of Methacrylate <strong>1</strong>, pronounced cross-linking was observed, suggesting the active participation of the allyl group. Subsequent investigations confirmed that the allyl group underwent partial conversion. By lowering the concentration, the cross-linking reaction could be minimized, enabling the synthesis of diblock copolymers. Finally, their performance as dispersing additives was evaluated in non-polar coating systems containing inorganic and carbon black pigments. To measure performance, properties such as rheological behavior and particle size distribution were analysed. All diblock copolymers showed good dispersity properties for all pigments, with particularly pronounced effects for the fully bio-based block copolymer <strong>poly(2-<em>b</em>-4)</strong> and the partially bio-based block copolymer <strong>poly(6-<em>b</em>-1)</strong>.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 39962-39974"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538398/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342158","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}
引用次数: 0
A bibliometric review of triazine hybrids: synthesis, reactions, and applications spanning the last quarter-century (2000–2025) 三嗪杂化物的文献计量学综述:合成、反应和应用跨越过去四分之一世纪(2000-2025)。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA05849J
Hajar A. Ali, Mohamed A. Ismail and Eslam A. Ghaith
{"title":"A bibliometric review of triazine hybrids: synthesis, reactions, and applications spanning the last quarter-century (2000–2025)","authors":"Hajar A. Ali, Mohamed A. Ismail and Eslam A. Ghaith","doi":"10.1039/D5RA05849J","DOIUrl":"10.1039/D5RA05849J","url":null,"abstract":"<p >This comprehensive review delves into the intricate world of triazines, including their structures and the chemical diversity of their isomers. Additionally, this report encompasses a wide range of synthetic approaches, describing numerous reactions for attaining triazines, such as Bamberger, Bischler, inverse-electron-demand Diels–Alder, and Diels–Alder reactions. Moreover, this review describes the progress made in the chemistry of triazines, which is organized based on their reaction types, spotlighting the recent development. Accordingly, triazines stand out as a transformative strategy in the progress of synthetic chemistry due to their diverse applications in medicine, pharmacy, industry, and agriculture. Besides, triazine hybrids are important pharmacophores in the development of medications due to their captivating biological efficacy and biocompatibility. Consequently, this review presents a vast number of marketed drugs containing a triazine template while delineating their molecular mechanisms of action in disrupting disease pathways. Moreover, triazine cores are highlighted as flexible platforms for constructing and fine-tuning metal complexes and catalytic ligands in the period from 2000 to mid-2025. We anticipate that this review will be valuable to researchers focusing on the structural design and advancement of triazines.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 39705-39770"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538292/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342156","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}
引用次数: 0
Numerical simulation and optimization of BaZrSe3/ZnS heterojunction solar cells: achieving high performance BaZrSe3/ZnS异质结太阳能电池的数值模拟与优化:实现高性能。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA05711F
Elsammani Ali Shokralla, Arslan Ashfaq, Ubaid Ur Rehman, Hind Albalawi, Zahra Bayhan, Sarah A. Alsalhi, Shoug M. Alghamdi and M. Musa Saad H.-E.
{"title":"Numerical simulation and optimization of BaZrSe3/ZnS heterojunction solar cells: achieving high performance","authors":"Elsammani Ali Shokralla, Arslan Ashfaq, Ubaid Ur Rehman, Hind Albalawi, Zahra Bayhan, Sarah A. Alsalhi, Shoug M. Alghamdi and M. Musa Saad H.-E.","doi":"10.1039/D5RA05711F","DOIUrl":"10.1039/D5RA05711F","url":null,"abstract":"<p >In this work, a ZnO:Al/ZnO/ZnS/BaZrSe<small><sub>3</sub></small>/Au heterojunction solar cell was numerically investigated using SCAPS-1D to optimize its structural and electronic parameters for high photovoltaic performance. The effects of absorber thickness (50 nm–6.0 μm), buffer layer thickness (10–100 nm), doping densities, defect states, operating temperature, and back metal contacts were systematically studied. The results revealed that increasing the BaZrSe<small><sub>3</sub></small> absorber thickness enhanced the short-circuit current density (<em>J</em><small><sub>sc</sub></small>) due to improved light absorption, with an optimum thickness of 2.0 μm balancing carrier generation and recombination. The ZnS buffer layer exhibited optimum performance at 20 nm, ensuring efficient charge transfer without increasing resistive losses. The acceptor doping concentration in BaZrSe<small><sub>3</sub></small> strongly influenced the device properties, with <em>N</em><small><sub>A</sub></small> = 10<small><sup>18</sup></small> cm<small><sup>−3</sup></small> yielding the maximum PCE of 22.77%. Similarly, an optimized donor doping density of 10<small><sup>19</sup></small> cm<small><sup>−3</sup></small> in the buffer enhanced carrier extraction. Defect density analysis showed that PCE remained stable up to <em>N</em><small><sub>T</sub></small> = 10<small><sup>14</sup></small> cm<small><sup>−3</sup></small>, beyond which recombination dominated, reducing efficiency. Temperature-dependent simulations indicated a decline in PCE from 22.92% at 300 K to 17.87% at 360 K due to enhanced carrier recombination. Finally, the choice of back contact significantly affected performance, with a high work-function metal (5.9 eV) achieving superior results, including PCE = 29.46%, <em>V</em><small><sub>oc</sub></small> = 0.7528 V, <em>J</em><small><sub>sc</sub></small> = 46.38 mA cm<small><sup>−2</sup></small>, and FF = 84.37%. These results highlight the promising potential of BaZrSe<small><sub>3</sub></small> as a lead free absorber material for next-generation thin film solar cells, where optimization of thickness, doping, and contact engineering play a crucial role in maximizing device efficiency.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 39898-39908"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538386/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342196","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}
引用次数: 0
Innovative hafnium composite: efficient fabrication and advanced biomedical potential in dentistry and oral health 创新铪复合材料:在牙科和口腔健康方面的高效制造和先进的生物医学潜力。
IF 4.6 3区 化学
RSC Advances Pub Date : 2025-10-21 DOI: 10.1039/D5RA06894K
Fadhil Faez Sead, Ahmed Aldulaimi, Farag M. A. Altalbawy, Shakir Mahmood Saeed, Samah Naem, Issa Mohammed Kadhim, Waam mohammed taher, Khursheed Muzammil, Aseel Smerat and Mohammad Al Hesani
{"title":"Innovative hafnium composite: efficient fabrication and advanced biomedical potential in dentistry and oral health","authors":"Fadhil Faez Sead, Ahmed Aldulaimi, Farag M. A. Altalbawy, Shakir Mahmood Saeed, Samah Naem, Issa Mohammed Kadhim, Waam mohammed taher, Khursheed Muzammil, Aseel Smerat and Mohammad Al Hesani","doi":"10.1039/D5RA06894K","DOIUrl":"10.1039/D5RA06894K","url":null,"abstract":"<p >The development of multifunctional dental coatings capable of preventing biofilm formation and promoting oral tissue health is a growing focus in modern restorative dentistry. In this study, a novel hafnium-based metal–organic framework was synthesized <em>via</em> a rapid microwave-assisted method using 4-aminopyridine-2,6-dicarboxylic acid as the organic linker. The synthesized MOF was abbreviated as Hf/APDC-MOF, derived from the names of its components (hafnium 4-aminopyridine-2,6-dicarboxylic acid metal–organic framework). The synthesized MOF was designed for potential use as a bioactive dental surface coating with broad-spectrum therapeutic functions. The material demonstrated strong antibacterial activity against key oral pathogens, including <em>Streptococcus mutans</em> and <em>Porphyromonas gingivalis</em>, with minimum inhibitory concentration (MIC) values of 1 μg mL<small><sup>−1</sup></small>. <em>In vitro</em> cytotoxicity testing using the MTT assay revealed selective anticancer effects against SCC154 (CRL-3241) gingival carcinoma cells, with an IC<small><sub>50</sub></small> value of 78 μg mL<small><sup>−1</sup></small>. Additionally, the MOF exhibited high antioxidant capacity (79% DPPH radical scavenging at 100 μg mL<small><sup>−1</sup></small>) and effective anti-inflammatory activity by reducing nitric oxide production by 74% in LPS-stimulated RAW 264.7 macrophages. These results suggest that Hf/APDC-MOF is a promising candidate for multifunctional dental coatings, combining antimicrobial protection with antioxidant, anti-inflammatory, and anticancer effects, thereby offering a novel therapeutic platform for oral health management. The synthesized MOF was designed and evaluated <em>in vitro</em> as a multifunctional bioactive material with potential relevance to dental surface coatings, combining antimicrobial, antioxidant, anti-inflammatory, and anticancer properties.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 47","pages":" 39786-39794"},"PeriodicalIF":4.6,"publicationDate":"2025-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12538290/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342201","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}
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