Shuxia Bai, Zhibing Chang, Zhengchun Ren, Yongqin Zhao and Laixue Pang
Contaminated water, especially water containing high concentrations of toxic metal ions, is frequently discharged into the environment. Thus, developing advanced adsorbents with high adsorption capacities is essential for efficient pollutant removal. In this study, X- and A-type zeolites were synthesized using industrial waste materials, specifically oil shale ash and coal fly ash. Their physicochemical properties were characterized using XRD, SEM, and nitrogen adsorption–desorption analyses. The adsorption behaviors of Cd2+ ions onto the synthesized zeolites from aqueous solutions were thoroughly investigated, including kinetic and isotherm analyses. The results showed that the adsorption process adhered to pseudo-second-order kinetics and followed the Langmuir isotherm model for all zeolites. Maximum adsorption capacities were reached within 60 min, with a dosage of 1 g L−1 and at pH 7. Among the zeolites, OSA75 demonstrated the highest Cd2+ adsorption capacity, reaching 236.41 mg g−1, indicating that the incorporation of a small amount of coal fly ash significantly enhanced the adsorption performance. The dominant mechanism governing Cd2+ adsorption was identified as cation exchange.
{"title":"Adsorption of Cd2+ ions onto zeolites synthesized from a mixture of coal fly ash and oil shale ash in aqueous media†","authors":"Shuxia Bai, Zhibing Chang, Zhengchun Ren, Yongqin Zhao and Laixue Pang","doi":"10.1039/D5RA00752F","DOIUrl":"https://doi.org/10.1039/D5RA00752F","url":null,"abstract":"<p >Contaminated water, especially water containing high concentrations of toxic metal ions, is frequently discharged into the environment. Thus, developing advanced adsorbents with high adsorption capacities is essential for efficient pollutant removal. In this study, X- and A-type zeolites were synthesized using industrial waste materials, specifically oil shale ash and coal fly ash. Their physicochemical properties were characterized using XRD, SEM, and nitrogen adsorption–desorption analyses. The adsorption behaviors of Cd<small><sup>2+</sup></small> ions onto the synthesized zeolites from aqueous solutions were thoroughly investigated, including kinetic and isotherm analyses. The results showed that the adsorption process adhered to pseudo-second-order kinetics and followed the Langmuir isotherm model for all zeolites. Maximum adsorption capacities were reached within 60 min, with a dosage of 1 g L<small><sup>−1</sup></small> and at pH 7. Among the zeolites, OSA75 demonstrated the highest Cd<small><sup>2+</sup></small> adsorption capacity, reaching 236.41 mg g<small><sup>−1</sup></small>, indicating that the incorporation of a small amount of coal fly ash significantly enhanced the adsorption performance. The dominant mechanism governing Cd<small><sup>2+</sup></small> adsorption was identified as cation exchange.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 15","pages":" 11293-11300"},"PeriodicalIF":3.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00752f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809050","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}
Yanna Ning, Xianglei Li, Guanghua Tong, Feiyu Zhang, Jun Hong and Baolin Xiao
Kaempferol (KA) is a flavonoid with a range of biological properties, including antitumor, antioxidant, antiviral and anti-inflammatory, and its extensive applications in biomedicine, food safety, and related fields underscore the importance of quantitative analysis for determining its concentration. In this study, an electrochemical sensor based on multi-walled carbon nanotubes (MWCNTs), PCN222 and chitosan (CS) was developed for the determination of KA. MWCNTs exhibit hydrophobicity and conductivity, and they are better dispersed by DMF and crosslinked with PCN222, which further improves the electrode's response, selectivity and sensitivity to KA due to the peroxide-like properties of PCN222. The film formed by CS on the electrode surface serves to protect the nanocomposite from detaching during the operation. The linear range of this sensor is 0.01–0.4 and 0.6–9 μM, with a detection limit of 4.16 nM. This method can be used to detect the content of KA in plasma, which shows that the electrochemical sensor has strong practical application capabilities, as well as other advantages, such as high stability, strong anti-interference ability, and low detection limit. Moreover, the ultraviolet-visible spectrophotometer (UV) demonstrates that the catalytic rate of PCN222 for KA is significantly faster than that for naringenin and puerarin. Therefore, the construction of CS/MWCNT–PCN222/GCE electrochemical sensors has potential application value for clinical dosage control and monitoring of the drug metabolism of KA.
山奈酚(KA)是一种黄酮类化合物,具有抗肿瘤、抗氧化、抗病毒和抗炎等多种生物特性,在生物医学、食品安全和相关领域的广泛应用凸显了定量分析测定其浓度的重要性。本研究开发了一种基于多壁碳纳米管(MWCNTs)、PCN222 和壳聚糖(CS)的电化学传感器,用于测定 KA。多壁碳纳米管具有疏水性和导电性,在 DMF 中具有较好的分散性,与 PCN222 交联后,由于 PCN222 具有类似过氧化物的特性,进一步提高了电极对 KA 的响应、选择性和灵敏度。CS 在电极表面形成的薄膜可以保护纳米复合材料在工作过程中不会脱落。该传感器的线性范围为 0.01-0.4 和 0.6-9 μM,检测限为 4.16 nM。该方法可用于检测等离子体中 KA 的含量,说明电化学传感器具有很强的实际应用能力,同时还具有稳定性高、抗干扰能力强、检测限低等优点。此外,紫外可见分光光度计(UV)表明 PCN222 对 KA 的催化速率明显快于对柚皮苷和葛根素的催化速率。因此,构建 CS/MWCNT-PCN222/GCE 电化学传感器在临床剂量控制和 KA 药物代谢监测方面具有潜在的应用价值。
{"title":"An electrochemical sensor based on MWCNTs and a PCCN222 peroxidase-like nanocomposite for sensitive and selective kaempferol detection","authors":"Yanna Ning, Xianglei Li, Guanghua Tong, Feiyu Zhang, Jun Hong and Baolin Xiao","doi":"10.1039/D5RA01094B","DOIUrl":"https://doi.org/10.1039/D5RA01094B","url":null,"abstract":"<p >Kaempferol (KA) is a flavonoid with a range of biological properties, including antitumor, antioxidant, antiviral and anti-inflammatory, and its extensive applications in biomedicine, food safety, and related fields underscore the importance of quantitative analysis for determining its concentration. In this study, an electrochemical sensor based on multi-walled carbon nanotubes (MWCNTs), PCN<small><sub>222</sub></small> and chitosan (CS) was developed for the determination of KA. MWCNTs exhibit hydrophobicity and conductivity, and they are better dispersed by DMF and crosslinked with PCN<small><sub>222</sub></small>, which further improves the electrode's response, selectivity and sensitivity to KA due to the peroxide-like properties of PCN<small><sub>222</sub></small>. The film formed by CS on the electrode surface serves to protect the nanocomposite from detaching during the operation. The linear range of this sensor is 0.01–0.4 and 0.6–9 μM, with a detection limit of 4.16 nM. This method can be used to detect the content of KA in plasma, which shows that the electrochemical sensor has strong practical application capabilities, as well as other advantages, such as high stability, strong anti-interference ability, and low detection limit. Moreover, the ultraviolet-visible spectrophotometer (UV) demonstrates that the catalytic rate of PCN<small><sub>222</sub></small> for KA is significantly faster than that for naringenin and puerarin. Therefore, the construction of CS/MWCNT–PCN<small><sub>222</sub></small>/GCE electrochemical sensors has potential application value for clinical dosage control and monitoring of the drug metabolism of KA.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 15","pages":" 11319-11326"},"PeriodicalIF":3.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01094b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809053","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}
Rongrui Xu, Yicheng Wei, Ling Ding, Hongliang Li, Yuezhen Hua, Yong Cao and Yanhua Cui
Thermal batteries are widely used in defense and emergency fields due to their long storage periods and high power characteristics. Among them, cobalt disulfide (CoS2), as a cathode material, attracts attention because of its high decomposition temperature, excellent discharge capacity, and good electrical conductivity. However, research has found that this material is prone to structural decomposition and phase transition under high-temperature working conditions and long-term storage, leading to critical issues such as electrode activity decay and battery performance degradation. This study innovatively adopts atomic layer deposition (ALD) technology to construct a nanoscale Al2O3 coating on the CoS2 surface, and systematically analyzes it through multi-dimensional characterization methods such as X-ray diffraction (XRD) and scanning electron microscopy (SEM). Experimental results show that after an 8 days simulated storage test, the discharge specific capacity of unmodified CoS2 decreased to 70% of its initial value, while the Al2O3/CoS2 composite material maintained a capacity retention rate of 90%. This study confirms that Al2O3 surface modification technology can effectively inhibit the structural degradation of CoS2, significantly enhancing the material's environmental tolerance and electrochemical stability.
{"title":"Study on modification and electrochemical properties of COS2-based cathode materials†","authors":"Rongrui Xu, Yicheng Wei, Ling Ding, Hongliang Li, Yuezhen Hua, Yong Cao and Yanhua Cui","doi":"10.1039/D5RA01620G","DOIUrl":"https://doi.org/10.1039/D5RA01620G","url":null,"abstract":"<p >Thermal batteries are widely used in defense and emergency fields due to their long storage periods and high power characteristics. Among them, cobalt disulfide (CoS<small><sub>2</sub></small>), as a cathode material, attracts attention because of its high decomposition temperature, excellent discharge capacity, and good electrical conductivity. However, research has found that this material is prone to structural decomposition and phase transition under high-temperature working conditions and long-term storage, leading to critical issues such as electrode activity decay and battery performance degradation. This study innovatively adopts atomic layer deposition (ALD) technology to construct a nanoscale Al<small><sub>2</sub></small>O<small><sub>3</sub></small> coating on the CoS<small><sub>2</sub></small> surface, and systematically analyzes it through multi-dimensional characterization methods such as X-ray diffraction (XRD) and scanning electron microscopy (SEM). Experimental results show that after an 8 days simulated storage test, the discharge specific capacity of unmodified CoS<small><sub>2</sub></small> decreased to 70% of its initial value, while the Al<small><sub>2</sub></small>O<small><sub>3</sub></small>/CoS<small><sub>2</sub></small> composite material maintained a capacity retention rate of 90%. This study confirms that Al<small><sub>2</sub></small>O<small><sub>3</sub></small> surface modification technology can effectively inhibit the structural degradation of CoS<small><sub>2</sub></small>, significantly enhancing the material's environmental tolerance and electrochemical stability.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 15","pages":" 11337-11342"},"PeriodicalIF":3.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra01620g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809055","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}
Amphiphilic drug–drug conjugates (ADDCs) such as gemcitabine–camptothecin (GEM–CPT) and doxorubicin–10-hydroxycamptothecin (DOX–HCPT) nanoclusters offer innovative solutions to overcome the limitations of conventional cancer therapies, including poor solubility and nonspecific targeting. Using molecular dynamics (MD) simulations, we explored the mechanisms by which these nanoclusters interact with and penetrate cancer and normal cell membranes. GEM–CPT exhibited enhanced membrane penetration in cancer cells through combined hydrophilic and hydrophobic interactions, along with its ability to extract cholesterol and induce membrane remodelling. In contrast, DOX–HCPT maintained structural integrity through stable π–π stacking interactions, showing selective binding to membrane head groups (HG) with minimal cholesterol interaction, particularly in normal membranes. The GEM–CPT nanocluster disrupted the cancer membrane by inducing asymmetric lipid distribution and facilitating water infiltration, whereas the hydrophobic DOX–HCPT repelled water, maintaining membrane stability. The size of the nanocluster further influenced the behaviour; larger clusters drove steric assembly and lipid reorganisation, while smaller clusters achieved deeper penetration at the cost of structural integrity. The contrasting behaviours of GEM–CPT and DOX–HCPT highlight the critical roles of size, charge, and amphiphilicity in membrane transport mechanisms. These findings provide valuable insights into the design of efficient and selective nanomedicines, paving the way for optimised drug delivery systems with reduced off-target effects.
{"title":"Mechanistic insights from simulations of drug–drug conjugate nanoclusters for co-delivery across cancer cell membranes†","authors":"Cherdpong Choodet, Unnop Srikulwong, Pakawat Toomjeen, Adulvit Chuaephon, Witthawat Phanchai and Theerapong Puangmali","doi":"10.1039/D5RA00480B","DOIUrl":"https://doi.org/10.1039/D5RA00480B","url":null,"abstract":"<p >Amphiphilic drug–drug conjugates (ADDCs) such as gemcitabine–camptothecin (<strong>GEM</strong>–<strong>CPT</strong>) and doxorubicin–10-hydroxycamptothecin (<strong>DOX</strong>–<strong>HCPT</strong>) nanoclusters offer innovative solutions to overcome the limitations of conventional cancer therapies, including poor solubility and nonspecific targeting. Using molecular dynamics (MD) simulations, we explored the mechanisms by which these nanoclusters interact with and penetrate cancer and normal cell membranes. <strong>GEM</strong>–<strong>CPT</strong> exhibited enhanced membrane penetration in cancer cells through combined hydrophilic and hydrophobic interactions, along with its ability to extract cholesterol and induce membrane remodelling. In contrast, <strong>DOX</strong>–<strong>HCPT</strong> maintained structural integrity through stable π–π stacking interactions, showing selective binding to membrane head groups (HG) with minimal cholesterol interaction, particularly in normal membranes. The <strong>GEM</strong>–<strong>CPT</strong> nanocluster disrupted the cancer membrane by inducing asymmetric lipid distribution and facilitating water infiltration, whereas the hydrophobic <strong>DOX</strong>–<strong>HCPT</strong> repelled water, maintaining membrane stability. The size of the nanocluster further influenced the behaviour; larger clusters drove steric assembly and lipid reorganisation, while smaller clusters achieved deeper penetration at the cost of structural integrity. The contrasting behaviours of <strong>GEM</strong>–<strong>CPT</strong> and <strong>DOX</strong>–<strong>HCPT</strong> highlight the critical roles of size, charge, and amphiphilicity in membrane transport mechanisms. These findings provide valuable insights into the design of efficient and selective nanomedicines, paving the way for optimised drug delivery systems with reduced off-target effects.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 15","pages":" 11343-11353"},"PeriodicalIF":3.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00480b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809056","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}
Due to the global energy crisis, many scientists have tried to solve this problem by constructing artificial light-harvesting systems (ALHSs) to mimic photosynthesis. However, achieving efficient energy transfer remains a challenge as excitons need to travel longer diffusion lengths within the donor matrix to reach the acceptor. Supramolecular assemblies based on non-covalent interactions provide diverse approaches for the preparation of ALHSs with high energy-transfer efficiency and more flexible options. Many efficient pillar[5]arene-based supramolecular ALHSs with extremely high energy transfer efficiency and the antenna effect have been successfully constructed by non covalent interactions. These ALHSs have expanded various properties on photoluminescence and photocatalysis, enabling promising applications on cell imaging, supramolecular catalysis and so on. In this review, we highlight the recent developments in pillar[5]arene-based supramolecular assemblies application in light-harvesting systems. We also provide the construction, modulation, and applications of supramolecular ALHSs, and provide a brief discussion of their research prospects, challenges, and future opportunities.
{"title":"Pillar[5]arene-based supramolecular assemblies application in artificial light-harvesting systems","authors":"Kaipeng Zhong, Wenrui Pang, Zhancheng Yang, Shaoju Bian and Naicai Xu","doi":"10.1039/D5RA00882D","DOIUrl":"https://doi.org/10.1039/D5RA00882D","url":null,"abstract":"<p >Due to the global energy crisis, many scientists have tried to solve this problem by constructing artificial light-harvesting systems (ALHSs) to mimic photosynthesis. However, achieving efficient energy transfer remains a challenge as excitons need to travel longer diffusion lengths within the donor matrix to reach the acceptor. Supramolecular assemblies based on non-covalent interactions provide diverse approaches for the preparation of ALHSs with high energy-transfer efficiency and more flexible options. Many efficient pillar[5]arene-based supramolecular ALHSs with extremely high energy transfer efficiency and the antenna effect have been successfully constructed by non covalent interactions. These ALHSs have expanded various properties on photoluminescence and photocatalysis, enabling promising applications on cell imaging, supramolecular catalysis and so on. In this review, we highlight the recent developments in pillar[5]arene-based supramolecular assemblies application in light-harvesting systems. We also provide the construction, modulation, and applications of supramolecular ALHSs, and provide a brief discussion of their research prospects, challenges, and future opportunities.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 15","pages":" 11308-11318"},"PeriodicalIF":3.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00882d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809052","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}
An efficient, cost-effective, and metal-free photocatalytic trifluoromethylation of 6-azauracils has been developed using Langlois reagent (CF3SO2Na) under ambient air. The present protocol, which utilizes an inexpensive CF3 reagent and an organophotocatalyst, provides a convenient way to prepare trifluoromethylated azauracil derivatives with a variety of functional groups. The experimental results suggest a radical mechanistic pathway for this methodology.
{"title":"The organophotocatalytic trifluoromethylation of 6-azauracils†","authors":"Krishna Kanta Das and Alakananda Hajra","doi":"10.1039/D5RA00743G","DOIUrl":"https://doi.org/10.1039/D5RA00743G","url":null,"abstract":"<p >An efficient, cost-effective, and metal-free photocatalytic trifluoromethylation of 6-azauracils has been developed using Langlois reagent (CF<small><sub>3</sub></small>SO<small><sub>2</sub></small>Na) under ambient air. The present protocol, which utilizes an inexpensive CF<small><sub>3</sub></small> reagent and an organophotocatalyst, provides a convenient way to prepare trifluoromethylated azauracil derivatives with a variety of functional groups. The experimental results suggest a radical mechanistic pathway for this methodology.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 15","pages":" 11370-11376"},"PeriodicalIF":3.9,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00743g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809057","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}
M. Maddin, L. Terribili, R. Rateau, A. M. Szucs and J. D. Rodriguez-Blanco
Our study investigates the interaction between multi-component rare earth element (REE; La, Ce, Pr, Nd, Dy)-bearing aqueous solutions and vivianite (Fe32+(PO4)2·8H2O) grains under hydrothermal conditions (50–165 °C). The results revealed the solution-mediated, progressive oxidation and dissolution of vivianite. This resulted in the formation of iron phosphates, metavivianite [Fe2+Fe23+(PO4)2(OH)2·6H2O], and giniite [Fe2+Fe43+(PO4)4 (OH)2·2H2O], iron oxide hematite [Fe2O3], and rare earth phosphates, rhabdophane [REE(PO4)·H2O] and monazite [(LREE)PO4]. The extent of the reactions was found to be dependent on temperature, pH, and the concentration and ionic radii of the rare earths in solution. The rate of vivianite oxidation and dissolution increased with increased temperature, with 50% of vivianite transformed after 32 days at 50 °C, and 100% transformed after 28 days and 4 hours at 90 and 165 °C respectively. The pH of the solutions at all three temperatures maintained the stability of rhabdophane, and only at the highest temperature of 165 °C it began to transform to monazite. Understanding the stability of iron phosphates, their transformation products, and their capacity to incorporate REEs is crucial for resource recovery, especially in the extraction of REEs from waste materials.
{"title":"Nanophase REE phosphate crystallization induced by vivianite oxidation: mechanistic insights and mineralogical implications†","authors":"M. Maddin, L. Terribili, R. Rateau, A. M. Szucs and J. D. Rodriguez-Blanco","doi":"10.1039/D4RA08110B","DOIUrl":"https://doi.org/10.1039/D4RA08110B","url":null,"abstract":"<p >Our study investigates the interaction between multi-component rare earth element (REE; La, Ce, Pr, Nd, Dy)-bearing aqueous solutions and vivianite (Fe<small><sub>3</sub></small><small><sup>2+</sup></small>(PO<small><sub>4</sub></small>)<small><sub>2</sub></small>·8H<small><sub>2</sub></small>O) grains under hydrothermal conditions (50–165 °C). The results revealed the solution-mediated, progressive oxidation and dissolution of vivianite. This resulted in the formation of iron phosphates, metavivianite [Fe<small><sup>2+</sup></small>Fe<small><sub>2</sub></small><small><sup>3+</sup></small>(PO<small><sub>4</sub></small>)<small><sub>2</sub></small>(OH)<small><sub>2</sub></small>·6H<small><sub>2</sub></small>O], and giniite [Fe<small><sup>2+</sup></small>Fe<small><sub>4</sub></small><small><sup>3+</sup></small>(PO<small><sub>4</sub></small>)<small><sub>4</sub></small> (OH)<small><sub>2</sub></small>·2H<small><sub>2</sub></small>O], iron oxide hematite [Fe<small><sub>2</sub></small>O<small><sub>3</sub></small>], and rare earth phosphates, rhabdophane [REE(PO<small><sub>4</sub></small>)·H<small><sub>2</sub></small>O] and monazite [(LREE)PO<small><sub>4</sub></small>]. The extent of the reactions was found to be dependent on temperature, pH, and the concentration and ionic radii of the rare earths in solution. The rate of vivianite oxidation and dissolution increased with increased temperature, with 50% of vivianite transformed after 32 days at 50 °C, and 100% transformed after 28 days and 4 hours at 90 and 165 °C respectively. The pH of the solutions at all three temperatures maintained the stability of rhabdophane, and only at the highest temperature of 165 °C it began to transform to monazite. Understanding the stability of iron phosphates, their transformation products, and their capacity to incorporate REEs is crucial for resource recovery, especially in the extraction of REEs from waste materials.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 14","pages":" 11257-11270"},"PeriodicalIF":3.9,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08110b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801117","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}
Ebrahim-Alkhalil M. A. Ahmed, Hongchen Zhang, Wen-Gen Cao and Tian-Jun Gong
This study introduces an efficacious palladium-catalyzed method for the regioselective and stereoselective cross-coupling of gem-difluorinated cyclopropanes with an array of gem-diborylalkanes under mild reaction conditions. The innovative methodology facilitates the synthesis of 2-fluoroallylic gem-diboronic esters with exceptional Z-stereo- and chemo-selectivity. Notably, this protocol extended to the ligand-modulated regio- and stereoselectivity divergence cross-coupling of 1,1-difluoro-2-vinylcyclopropane as a reaction partner. Furthermore, we explore further transformations of the fluorinated gem-diboronates, encompassing the oxidation to form ketone and hydrogenation to generate mono-fluorinated alkylated gem-diboronate.
{"title":"Palladium-catalyzed cross-coupling of gem-difluorocyclopropanes with gem-diborylalkanes: facile synthesis of a diverse array of gem-diboryl-substituted fluorinated alkenes†","authors":"Ebrahim-Alkhalil M. A. Ahmed, Hongchen Zhang, Wen-Gen Cao and Tian-Jun Gong","doi":"10.1039/D5RA00581G","DOIUrl":"https://doi.org/10.1039/D5RA00581G","url":null,"abstract":"<p >This study introduces an efficacious palladium-catalyzed method for the regioselective and stereoselective cross-coupling of <em>gem</em>-difluorinated cyclopropanes with an array of <em>gem</em>-diborylalkanes under mild reaction conditions. The innovative methodology facilitates the synthesis of 2-fluoroallylic <em>gem</em>-diboronic esters with exceptional <em>Z</em>-stereo- and chemo-selectivity. Notably, this protocol extended to the ligand-modulated regio- and stereoselectivity divergence cross-coupling of 1,1-difluoro-2-vinylcyclopropane as a reaction partner. Furthermore, we explore further transformations of the fluorinated <em>gem</em>-diboronates, encompassing the oxidation to form ketone and hydrogenation to generate mono-fluorinated alkylated <em>gem</em>-diboronate.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 13","pages":" 10265-10272"},"PeriodicalIF":3.9,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00581g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801104","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}
Ahmad Ayyaz, M. Zaman, Hanof Dawas Alkhaldi, H. Irfan Ali, Imed Boukhris, S. Bouzgarrou, Murefah mana Al-Anazy and Q. Mahmood
Halide double perovskites have attracted considerable attention for their potential use in solar cells and thermoelectric devices, as they are ecologically benign and possess band gap tunability. Herein, the stability, optoelectronic, and thermal transport characteristics of In2AgSbX6 (X = Cl, Br, and I) were examined using density functional theory (DFT). Ab initio molecular dynamics (AIMD) analysis was conducted, which verified the dynamic stability of In2AgSbX6 up to 700 K. The estimated elastic parameters further confirmed their mechanical stability. Through mechanical analysis, the asymmetric characteristics of In2AgSbX6 were revealed. The above-mentioned materials were ductile, validating their utilization in flexible or foldable technologies. Analyses of the electrical properties of In2AgSbCl6, In2AgSbBr6, and In2AgSbI6 showed indirect band gaps (Eg) of 1.95 eV, 1.35 eV, and 0.78 eV, respectively. These electronic Eg values were ideal for solar cell applications. The lower effective masses and binding energies of excitons of In2AgSbCl6, In2AgSbBr6, and In2AgSbI6 than those of the perspective solar cell candidates CsPbI3 and Cs2AgBiBr6 provided evidence for their effectiveness as absorber layer materials. The optical analysis of the dielectric constant, absorption, reflection, and loss demonstrated higher absorption, lower reflection, and minimal energy loss within the visible and ultraviolet spectra. The thermal transport features were analyzed for various temperatures up to 600 K and chemical potentials. In2AgSbCl6, In2AgSbBr6, and In2AgSbI6 demonstrated p-type nature, higher Seebeck coefficient, and ZT values of 0.75, 0.77, and 0.76, respectively. Thus, In2AgSbCl6, In2AgSbBr6, and In2AgSbI6 possessed feasible characteristics for applications in solar cells and thermal energy transformation, demonstrating that they can be utilized in future energy harvesting technologies.
{"title":"Computational screening of appealing perspectives of indium-based halide double perovskites In2AgSbX6 (X = Cl, Br, and I) for energy harvesting technologies","authors":"Ahmad Ayyaz, M. Zaman, Hanof Dawas Alkhaldi, H. Irfan Ali, Imed Boukhris, S. Bouzgarrou, Murefah mana Al-Anazy and Q. Mahmood","doi":"10.1039/D5RA00242G","DOIUrl":"https://doi.org/10.1039/D5RA00242G","url":null,"abstract":"<p >Halide double perovskites have attracted considerable attention for their potential use in solar cells and thermoelectric devices, as they are ecologically benign and possess band gap tunability. Herein, the stability, optoelectronic, and thermal transport characteristics of In<small><sub>2</sub></small>AgSbX<small><sub>6</sub></small> (X = Cl, Br, and I) were examined using density functional theory (DFT). <em>Ab initio</em> molecular dynamics (AIMD) analysis was conducted, which verified the dynamic stability of In<small><sub>2</sub></small>AgSbX<small><sub>6</sub></small> up to 700 K. The estimated elastic parameters further confirmed their mechanical stability. Through mechanical analysis, the asymmetric characteristics of In<small><sub>2</sub></small>AgSbX<small><sub>6</sub></small> were revealed. The above-mentioned materials were ductile, validating their utilization in flexible or foldable technologies. Analyses of the electrical properties of In<small><sub>2</sub></small>AgSbCl<small><sub>6</sub></small>, In<small><sub>2</sub></small>AgSbBr<small><sub>6</sub></small>, and In<small><sub>2</sub></small>AgSbI<small><sub>6</sub></small> showed indirect band gaps (<em>E</em><small><sub>g</sub></small>) of 1.95 eV, 1.35 eV, and 0.78 eV, respectively. These electronic <em>E</em><small><sub>g</sub></small> values were ideal for solar cell applications. The lower effective masses and binding energies of excitons of In<small><sub>2</sub></small>AgSbCl<small><sub>6</sub></small>, In<small><sub>2</sub></small>AgSbBr<small><sub>6</sub></small>, and In<small><sub>2</sub></small>AgSbI<small><sub>6</sub></small> than those of the perspective solar cell candidates CsPbI<small><sub>3</sub></small> and Cs<small><sub>2</sub></small>AgBiBr<small><sub>6</sub></small> provided evidence for their effectiveness as absorber layer materials. The optical analysis of the dielectric constant, absorption, reflection, and loss demonstrated higher absorption, lower reflection, and minimal energy loss within the visible and ultraviolet spectra. The thermal transport features were analyzed for various temperatures up to 600 K and chemical potentials. In<small><sub>2</sub></small>AgSbCl<small><sub>6</sub></small>, In<small><sub>2</sub></small>AgSbBr<small><sub>6</sub></small>, and In<small><sub>2</sub></small>AgSbI<small><sub>6</sub></small> demonstrated p-type nature, higher Seebeck coefficient, and <em>ZT</em> values of 0.75, 0.77, and 0.76, respectively. Thus, In<small><sub>2</sub></small>AgSbCl<small><sub>6</sub></small>, In<small><sub>2</sub></small>AgSbBr<small><sub>6</sub></small>, and In<small><sub>2</sub></small>AgSbI<small><sub>6</sub></small> possessed feasible characteristics for applications in solar cells and thermal energy transformation, demonstrating that they can be utilized in future energy harvesting technologies.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 14","pages":" 11128-11145"},"PeriodicalIF":3.9,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00242g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143801109","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}
Nguyen Quang Tinh, Dang Van Thanh, Nguyen Van Thu, Bui Thi Quynh Nhung, Pham Ngoc Huyen, Nguyen Phu Hung, Nguyen Thi Thuy, Pham Dieu Thuy, Nguyen Hoa Mi and Khieu Thi Tam
Plant essential oils can function as effective antibacterial and anticancer agents, but their low solubility and hydrophobic nature limit their practical applications. In this study, we report the preparation of nanoemulsions of Elsholtzia kachinensis and Elsholtzia ciliata via ultrasonic homogenization and the characterization of their antibacterial and anticancer activities for the first time. The product characteristics were evaluated based on turbidity, droplet size, polydispersion index, zeta potential and electrophoretic mobility. The activities were evaluated based on their ability to inhibit the growth of bacteria and HepG2 cancer cells. The Elsholtzia kachinensis and Elsholtzia ciliata nanoemulsions exhibited good stabilities, narrow size distributions with droplet sizes of 72.81 nm and 32.13 and zeta potentials of −27.8 mV and −11.2 mV, respectively. The Mulliken atomic charge analysis demonstrated that the E. kachinensis nanoemulsion had greater stability than the E. ciliata nanoemulsion. In vitro anti-bacterial studies using strains of Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae, Staphylococcus aureus, Bacillus subtilis and Staphylococcus epidermidis showed that both nanoemulsions exhibited higher growth inhibition efficiency than the respective essential oils. The inhibition efficiency of the Elsholtzia ciliata nanoemulsion against Bacillus subtilis and Staphylococcus epidermidis was 5 times higher than those of the corresponding essential oils. The HepG2 cell inhibition efficiency was about 80% for both nanoemulsions at a concentration of 500 μg mL−1, while the commercial essential oils inhibited only about 60% of HepG2 cells. Therefore, Elsholtzia kachinensis and Elsholtzia ciliata nanoemulsions can be potential candidates for modern biopharmaceuticals in the future.
{"title":"Preparation of nanoemulsions from Elsholtzia kachinensis and Elsholtzia ciliata essential oils via ultrasonic homogenization and their antibacterial and anticancer activities†","authors":"Nguyen Quang Tinh, Dang Van Thanh, Nguyen Van Thu, Bui Thi Quynh Nhung, Pham Ngoc Huyen, Nguyen Phu Hung, Nguyen Thi Thuy, Pham Dieu Thuy, Nguyen Hoa Mi and Khieu Thi Tam","doi":"10.1039/D5RA00386E","DOIUrl":"https://doi.org/10.1039/D5RA00386E","url":null,"abstract":"<p >Plant essential oils can function as effective antibacterial and anticancer agents, but their low solubility and hydrophobic nature limit their practical applications. In this study, we report the preparation of nanoemulsions of <em>Elsholtzia kachinensis</em> and <em>Elsholtzia ciliata via</em> ultrasonic homogenization and the characterization of their antibacterial and anticancer activities for the first time. The product characteristics were evaluated based on turbidity, droplet size, polydispersion index, zeta potential and electrophoretic mobility. The activities were evaluated based on their ability to inhibit the growth of bacteria and HepG2 cancer cells. The <em>Elsholtzia kachinensis</em> and <em>Elsholtzia ciliata</em> nanoemulsions exhibited good stabilities, narrow size distributions with droplet sizes of 72.81 nm and 32.13 and zeta potentials of −27.8 mV and −11.2 mV, respectively. The Mulliken atomic charge analysis demonstrated that the <em>E. kachinensis</em> nanoemulsion had greater stability than the <em>E. ciliata nanoemulsion</em>. <em>In vitro</em> anti-bacterial studies using strains of <em>Escherichia coli</em>, <em>Pseudomonas aeruginosa</em>, <em>Klebsiella pneumoniae</em>, <em>Staphylococcus aureus</em>, <em>Bacillus subtilis</em> and <em>Staphylococcus epidermidis</em> showed that both nanoemulsions exhibited higher growth inhibition efficiency than the respective essential oils. The inhibition efficiency of the <em>Elsholtzia ciliata</em> nanoemulsion against <em>Bacillus subtilis</em> and <em>Staphylococcus epidermidis</em> was 5 times higher than those of the corresponding essential oils. The HepG2 cell inhibition efficiency was about 80% for both nanoemulsions at a concentration of 500 μg mL<small><sup>−1</sup></small>, while the commercial essential oils inhibited only about 60% of HepG2 cells. Therefore, <em>Elsholtzia kachinensis</em> and <em>Elsholtzia ciliata</em> nanoemulsions can be potential candidates for modern biopharmaceuticals in the future.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 14","pages":" 11243-11256"},"PeriodicalIF":3.9,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00386e?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143809049","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}