Fahad T. Alotaibi, Malak A. Alamri, Lina M. Alneghery, Ali M. Alaseem, Mohamed G. El-Desouky and Ashraf A. El-Bindary
Metal–organic frameworks (MOFs) have become significant nanocarriers for drug delivery owing to their remarkable high surface area, adjustable porosity, and functional adaptability. This research focused on developing a multifunctional pH-responsive delivery system by encapsulating doxorubicin (DOX) within a lanthanum-based MOF (La-MOF) and integrating this complex into a biocompatible electrospun nanofiber membrane made of polycaprolactone (PCL) and chitosan (CS). The resulting DOX@La-MOF/CS–PCL nanofiber membrane was created by means of a one-step electrospinning technique and extensively analyzed using XRD, FTIR, XPS, SEM, EDX, and BET techniques to confirm its structural honesty, surface morphology, and chemical makeup. Drug release experiments indicated a dual-responsive behavior, demonstrating much higher DOX release at body temperature (37 °C) and in acidic environment (pH 5.0) that mimic the tumor micro environment. According to kinetic analysis, diffusion and erosion worked together to affect the release mechanism, which is consistent with zero-order, first-order, Korsmeyer–Peppas, as well as Higuchi models. In vitro tests exhibited strong anticancer effects against liver (HepG2), breast (MCF-7), and skin (A-431) lines of cancer cells. In addition to significant antioxidant and antimicrobial achievement in contrast to Staphylococcus aureus, Escherichia coli, as well as Candida albicans. Further optimization through a Box–Behnken statistical design improved both drug loading and release efficiency. Overall, these findings high spot the potential of the DOX@La-MOF/CS–PCL nanofiber membrane as a versatile and effective platform for controlled drug delivery, cancer treatment, and various biomedical applications.
{"title":"Doxorubicin drug delivery using an electrospun nanofiber membrane of chitosan–polycaprolactone with metal–organic framework: Box–Behnken optimization, anticancer treatment, and antimicrobial activity","authors":"Fahad T. Alotaibi, Malak A. Alamri, Lina M. Alneghery, Ali M. Alaseem, Mohamed G. El-Desouky and Ashraf A. El-Bindary","doi":"10.1039/D5RA07539D","DOIUrl":"https://doi.org/10.1039/D5RA07539D","url":null,"abstract":"<p >Metal–organic frameworks (MOFs) have become significant nanocarriers for drug delivery owing to their remarkable high surface area, adjustable porosity, and functional adaptability. This research focused on developing a multifunctional pH-responsive delivery system by encapsulating doxorubicin (DOX) within a lanthanum-based MOF (La-MOF) and integrating this complex into a biocompatible electrospun nanofiber membrane made of polycaprolactone (PCL) and chitosan (CS). The resulting DOX@La-MOF/CS–PCL nanofiber membrane was created by means of a one-step electrospinning technique and extensively analyzed using XRD, FTIR, XPS, SEM, EDX, and BET techniques to confirm its structural honesty, surface morphology, and chemical makeup. Drug release experiments indicated a dual-responsive behavior, demonstrating much higher DOX release at body temperature (37 °C) and in acidic environment (pH 5.0) that mimic the tumor micro environment. According to kinetic analysis, diffusion and erosion worked together to affect the release mechanism, which is consistent with zero-order, first-order, Korsmeyer–Peppas, as well as Higuchi models. <em>In vitro</em> tests exhibited strong anticancer effects against liver (HepG2), breast (MCF-7), and skin (A-431) lines of cancer cells. In addition to significant antioxidant and antimicrobial achievement in contrast to <em>Staphylococcus aureus</em>, <em>Escherichia coli</em>, as well as <em>Candida albicans</em>. Further optimization through a Box–Behnken statistical design improved both drug loading and release efficiency. Overall, these findings high spot the potential of the DOX@La-MOF/CS–PCL nanofiber membrane as a versatile and effective platform for controlled drug delivery, cancer treatment, and various biomedical applications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49243-49268"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra07539d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729565","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}
Jie Feng, Tingting Zhang, Guozhi Zhao, Chengxiang Li, Xuan Wu, Jiaqiang Sun, Yu Wang, Kun Liu and Guofeng Zhao
The highly active inverse ZrO2/Cu catalyst used in methanol steam reforming reaction was confirmed by XRD and HRTEM. Control experiments and characterization results consistently differentiated surface and interfacial hydroxyl groups. For the catalyst enriched in interfacial OH, the reaction preferentially proceeded through the formate pathway. However, for the catalyst enriched in surface OH, methyl formate pathway preferentially existed on its surface. This work reveals the role of OH plays in the methanol steam reforming reaction, preliminarily establishing foundation for the investigation of H2O-participated reactions.
{"title":"Mechanism of methanol steam reforming with inverse ZrO2/Cu catalyst","authors":"Jie Feng, Tingting Zhang, Guozhi Zhao, Chengxiang Li, Xuan Wu, Jiaqiang Sun, Yu Wang, Kun Liu and Guofeng Zhao","doi":"10.1039/D5RA07097J","DOIUrl":"https://doi.org/10.1039/D5RA07097J","url":null,"abstract":"<p >The highly active inverse ZrO<small><sub>2</sub></small>/Cu catalyst used in methanol steam reforming reaction was confirmed by XRD and HRTEM. Control experiments and characterization results consistently differentiated surface and interfacial hydroxyl groups. For the catalyst enriched in interfacial OH, the reaction preferentially proceeded through the formate pathway. However, for the catalyst enriched in surface OH, methyl formate pathway preferentially existed on its surface. This work reveals the role of OH plays in the methanol steam reforming reaction, preliminarily establishing foundation for the investigation of H<small><sub>2</sub></small>O-participated reactions.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49301-49306"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra07097j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729568","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}
Nadeem Raza, Zeeshan Ali, Suryyia Manzoor, Abdelmonaim Azzouz, Khalid Aziz, Sarfaraz Hashim, Mohamed Khairy, Mohamed E. Salem and Anis Ahmad Chaudhary
Algal-based membrane bioreactors (AMBRs) have gained attention due to the increasing need for sustainable wastewater treatment methods. These reactors use membrane filtration and algal–bacterial activities to remove pollutants and recover biomass at the same time. This review provides a critical overview of the latest progress in AMBR systems regarding their configuration, membrane materials, pollutant removal mechanisms, and operation performance. Special emphasis has been laid on the chemical and biochemical mechanisms of nutrient and emerging pollutants (EPs) removal, involving adsorption, biodegradation, and photo-oxidative transformation in the algal–bacterial consortia. Further discussion covers the roles of membrane chemistry, surface modification, and fouling behavior concerning physicochemical interactions between EPs, algal metabolites, and membrane surfaces. Comparison data relying on removal efficiencies among different types of AMBR will be analyzed for highlighting the effect of algal strain, reactor design, and operating parameters. Moreover, emerging anti-fouling strategies, economic considerations, and perspectives on biomass valorization is summarized. Contrasting to most of the earlier reviews, this contribution provides a chemistry-oriented synthesis that links material properties to bioprocess mechanisms and reactor performance and may guide future research and optimization of AMBR technology for sustainable wastewater management.
{"title":"Algal-based membrane bioreactors: a sustainable Frontier for removing emerging pollutants from wastewater","authors":"Nadeem Raza, Zeeshan Ali, Suryyia Manzoor, Abdelmonaim Azzouz, Khalid Aziz, Sarfaraz Hashim, Mohamed Khairy, Mohamed E. Salem and Anis Ahmad Chaudhary","doi":"10.1039/D5RA08065G","DOIUrl":"https://doi.org/10.1039/D5RA08065G","url":null,"abstract":"<p >Algal-based membrane bioreactors (AMBRs) have gained attention due to the increasing need for sustainable wastewater treatment methods. These reactors use membrane filtration and algal–bacterial activities to remove pollutants and recover biomass at the same time. This review provides a critical overview of the latest progress in AMBR systems regarding their configuration, membrane materials, pollutant removal mechanisms, and operation performance. Special emphasis has been laid on the chemical and biochemical mechanisms of nutrient and emerging pollutants (EPs) removal, involving adsorption, biodegradation, and photo-oxidative transformation in the algal–bacterial consortia. Further discussion covers the roles of membrane chemistry, surface modification, and fouling behavior concerning physicochemical interactions between EPs, algal metabolites, and membrane surfaces. Comparison data relying on removal efficiencies among different types of AMBR will be analyzed for highlighting the effect of algal strain, reactor design, and operating parameters. Moreover, emerging anti-fouling strategies, economic considerations, and perspectives on biomass valorization is summarized. Contrasting to most of the earlier reviews, this contribution provides a chemistry-oriented synthesis that links material properties to bioprocess mechanisms and reactor performance and may guide future research and optimization of AMBR technology for sustainable wastewater management.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49030-49062"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra08065g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729508","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}
Zeynab Addayeva, Mustafa Muradov, Goncha Eyvazova, Namiq Niftiyev and Faik Mammadov
This study explores the dielectric behavior of polyvinyl alcohol (PVA)-based nanocomposites incorporating 2 wt% FeGaInS4 and 3 wt% graphene oxide (GO), focusing on the effects of temperature and alternating current (AC) electric field exposure duration. The nanocomposites were synthesized via ultrasonic dispersion in water, followed by casting and ambient drying. X-ray diffraction (XRD) confirmed the preservation of the FeGaInS4 crystalline phase and the disordered, exfoliated state of GO within the polymer matrix. Dielectric spectroscopy, performed across 120 Hz to 1 MHz and temperatures between 40 and 80 °C, revealed a decrease in dielectric constant (ε′) with frequency, attributed to interfacial and dipolar polarization mechanisms. With increasing temperature, ε′ rose due to enhanced chain mobility and interfacial polarization. Notably, 2 h of AC field exposure at 40 °C improved both ε′ and dielectric loss (tan δ), while prolonged exposure led to relaxation effects and reduced performance. Activation energy (Ea), calculated using the correlated barrier hopping (CBH) model, decreased from 0.75 to 0.40 eV at 500 Hz with longer field exposure, indicating improved charge hopping. At higher frequencies (50 kHz), Ea showed a transient increase before stabilization. The results demonstrate the tunability of dielectric properties via AC field treatment, highlighting the potential of these nanocomposites for applications in flexible electronics and dielectric energy storage.
{"title":"Effect of temperature and AC field duration on the dielectric behavior of PVA/GO/FeGaInS4 nanocomposites","authors":"Zeynab Addayeva, Mustafa Muradov, Goncha Eyvazova, Namiq Niftiyev and Faik Mammadov","doi":"10.1039/D5RA06744H","DOIUrl":"https://doi.org/10.1039/D5RA06744H","url":null,"abstract":"<p >This study explores the dielectric behavior of polyvinyl alcohol (PVA)-based nanocomposites incorporating 2 wt% FeGaInS<small><sub>4</sub></small> and 3 wt% graphene oxide (GO), focusing on the effects of temperature and alternating current (AC) electric field exposure duration. The nanocomposites were synthesized <em>via</em> ultrasonic dispersion in water, followed by casting and ambient drying. X-ray diffraction (XRD) confirmed the preservation of the FeGaInS<small><sub>4</sub></small> crystalline phase and the disordered, exfoliated state of GO within the polymer matrix. Dielectric spectroscopy, performed across 120 Hz to 1 MHz and temperatures between 40 and 80 °C, revealed a decrease in dielectric constant (<em>ε</em>′) with frequency, attributed to interfacial and dipolar polarization mechanisms. With increasing temperature, <em>ε</em>′ rose due to enhanced chain mobility and interfacial polarization. Notably, 2 h of AC field exposure at 40 °C improved both <em>ε</em>′ and dielectric loss (tan <em>δ</em>), while prolonged exposure led to relaxation effects and reduced performance. Activation energy (<em>E</em><small><sub>a</sub></small>), calculated using the correlated barrier hopping (CBH) model, decreased from 0.75 to 0.40 eV at 500 Hz with longer field exposure, indicating improved charge hopping. At higher frequencies (50 kHz), <em>E</em><small><sub>a</sub></small> showed a transient increase before stabilization. The results demonstrate the tunability of dielectric properties <em>via</em> AC field treatment, highlighting the potential of these nanocomposites for applications in flexible electronics and dielectric energy storage.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49307-49319"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra06744h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729569","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}
Ha Anh Nguyen, Dao Thi Nguyet Nga, To Dao Cuong, Mai Quan Doan and Anh-Tuan Le
Ensuring plant health and crop quality is vital for sustainable modern agriculture. Conventional detection methods for stress markers, contaminants, and pathogens are often constrained by labor-intensive procedures, bulky equipment, and reliance on centralized facilities, limiting real-time field monitoring. Surface-enhanced Raman scattering (SERS) has emerged as a promising solution, providing rapid, ultrasensitive, and non-destructive analysis across plant, soil, and water matrices. This review outlines the fundamental SERS mechanisms and strategies that boost sensing performance, and surveys recent advances in monitoring throughout the cultivation cycle, covering plant stress markers, metabolites, contaminants, and plant pathogens under realistic agricultural conditions. Emphasis is placed on substrate architecture (hot-spot control, composites/heterostructures, functionalization, flexible formats), enhancement mechanisms, and analytical performance (typical enhancement factor (EF), limit of detection (LOD), limit of quantitation (LOQ), and relative standard deviation (RSD) ranges). Persistent challenges, including substrate reproducibility, matrix interference, quantitative calibration, and scalable fabrication for field deployment, are evaluated alongside emerging solutions, including matrix-aware calibration (with ratiometric readout), fluorescence-robust preprocessing, and durable, large-area platforms. We close with practical considerations for durability and cost and with future perspectives toward next-generation, field-ready SERS tools for proactive plant-health management and crop-quality assurance.
{"title":"Advances in surface-enhanced Raman scattering applications for precision agriculture: monitoring plant health and crop quality","authors":"Ha Anh Nguyen, Dao Thi Nguyet Nga, To Dao Cuong, Mai Quan Doan and Anh-Tuan Le","doi":"10.1039/D5RA08452K","DOIUrl":"https://doi.org/10.1039/D5RA08452K","url":null,"abstract":"<p >Ensuring plant health and crop quality is vital for sustainable modern agriculture. Conventional detection methods for stress markers, contaminants, and pathogens are often constrained by labor-intensive procedures, bulky equipment, and reliance on centralized facilities, limiting real-time field monitoring. Surface-enhanced Raman scattering (SERS) has emerged as a promising solution, providing rapid, ultrasensitive, and non-destructive analysis across plant, soil, and water matrices. This review outlines the fundamental SERS mechanisms and strategies that boost sensing performance, and surveys recent advances in monitoring throughout the cultivation cycle, covering plant stress markers, metabolites, contaminants, and plant pathogens under realistic agricultural conditions. Emphasis is placed on substrate architecture (hot-spot control, composites/heterostructures, functionalization, flexible formats), enhancement mechanisms, and analytical performance (typical enhancement factor (EF), limit of detection (LOD), limit of quantitation (LOQ), and relative standard deviation (RSD) ranges). Persistent challenges, including substrate reproducibility, matrix interference, quantitative calibration, and scalable fabrication for field deployment, are evaluated alongside emerging solutions, including matrix-aware calibration (with ratiometric readout), fluorescence-robust preprocessing, and durable, large-area platforms. We close with practical considerations for durability and cost and with future perspectives toward next-generation, field-ready SERS tools for proactive plant-health management and crop-quality assurance.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49320-49352"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra08452k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729570","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}
Gokul Sridharan, Surendar Balu, Raji Atchudan, Chandramohan Govindasamy, Dhanraj Ganapathy, Sandeep Arya and Ashok K. Sundramoorthy
A new electrochemical sensor based on electrochemically reduced graphene oxide (RGO) and zinc oxide (ZnO) nanorods was developed for the determination of the nonsteroidal anti-inflammatory drug (Diclofenac) and antibiotic drug (Clindamycin) for applications in human health monitoring. Graphene oxide (GO) and ZnO nanorods were synthesised by Hummer's and hydrothermal methods, respectively. The ZnO/GO composite (1 : 1 ratio) was prepared using the sonochemical method. As-prepared GO, ZnO, and ZnO/GO nanocomposite materials are characterised by UV-vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction analysis (XRD), high-resolution scanning electron microscopy (HR-SEM), Energy dispersive spectroscopy (EDAX), Thermogravimetric analysis (TGA), Zeta potential/Dynamic light scattering (DLS), and Electrochemical impedance spectroscopy (EIS). In addition, the ZnO/GO nanocomposite film-coated electrode was reduced electrochemically to ZnO/RGO. The electrochemical reaction of the ZnO/RGO was investigated by using cyclic voltammetry (CV). The ZnO/RGO/GCE-based electrochemical sensor showed the lowest detection limits for diclofenac (DCF) and clindamycin (CMC) as 0.079 µM and 0.018 µM, respectively. The sensitivity of the sensor was 0.127 µA µM−1 cm−2 for DCF and 0.153 µA µM−1 cm−2 for CMC, and a linear response in the range of 0.5 to 85.0 µM for DCF and 0.05 to 36.50 µM for CMC was observed. The ZnO/RGO/GCE sensor was tested in a real sample of human urine and found a recovery range of 90.0% to 106.0%. Overall, the proposed dual electrochemical sensor can be used in real-world applications.
{"title":"Electrochemical detection of diclofenac and clindamycin using ZnO nanorods/RGO nanocomposite modified electrode","authors":"Gokul Sridharan, Surendar Balu, Raji Atchudan, Chandramohan Govindasamy, Dhanraj Ganapathy, Sandeep Arya and Ashok K. Sundramoorthy","doi":"10.1039/D5RA07011B","DOIUrl":"https://doi.org/10.1039/D5RA07011B","url":null,"abstract":"<p >A new electrochemical sensor based on electrochemically reduced graphene oxide (RGO) and zinc oxide (ZnO) nanorods was developed for the determination of the nonsteroidal anti-inflammatory drug (Diclofenac) and antibiotic drug (Clindamycin) for applications in human health monitoring. Graphene oxide (GO) and ZnO nanorods were synthesised by Hummer's and hydrothermal methods, respectively. The ZnO/GO composite (1 : 1 ratio) was prepared using the sonochemical method. As-prepared GO, ZnO, and ZnO/GO nanocomposite materials are characterised by UV-vis spectroscopy, Fourier transform infrared spectroscopy (FTIR), X-ray diffraction analysis (XRD), high-resolution scanning electron microscopy (HR-SEM), Energy dispersive spectroscopy (EDAX), Thermogravimetric analysis (TGA), Zeta potential/Dynamic light scattering (DLS), and Electrochemical impedance spectroscopy (EIS). In addition, the ZnO/GO nanocomposite film-coated electrode was reduced electrochemically to ZnO/RGO. The electrochemical reaction of the ZnO/RGO was investigated by using cyclic voltammetry (CV). The ZnO/RGO/GCE-based electrochemical sensor showed the lowest detection limits for diclofenac (DCF) and clindamycin (CMC) as 0.079 µM and 0.018 µM, respectively. The sensitivity of the sensor was 0.127 µA µM<small><sup>−1</sup></small> cm<small><sup>−2</sup></small> for DCF and 0.153 µA µM<small><sup>−1</sup></small> cm<small><sup>−2</sup></small> for CMC, and a linear response in the range of 0.5 to 85.0 µM for DCF and 0.05 to 36.50 µM for CMC was observed. The ZnO/RGO/GCE sensor was tested in a real sample of human urine and found a recovery range of 90.0% to 106.0%. Overall, the proposed dual electrochemical sensor can be used in real-world applications.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49094-49108"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra07011b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729511","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}
Mamta Guleria, Manpreet Kaur, Divya Tagra and Jyoti Agarwal
A novel chiral triptycene-based imine ligand has been designed, synthesized and then characterized using various spectroscopic techniques, including FT-IR, 1H NMR, 13C NMR, and HRMS. It was first coordinated with cobalt to form a cobalt(II) complex, followed by combination with various axial ligands, such as acetate, tosylate, triflate, α,α,α-trifluoro-p-toluate and chloride, to generate the corresponding cobalt(III) complexes. These complexes were further analysed using EDS to confirm the coordination with cobalt. All the triptycene-based cobalt complexes demonstrated high catalytic efficiency towards the ring-opening reaction of epoxides with aniline derivatives, yielding β-amino alcohols in very high yields (up to >99%) with appreciable enantiomeric ratios (up to 81 : 19).
{"title":"Design and synthesis of a novel chiral triptycene-based imine ligand for enantioselective epoxide ring-opening reactions","authors":"Mamta Guleria, Manpreet Kaur, Divya Tagra and Jyoti Agarwal","doi":"10.1039/D5RA07454A","DOIUrl":"https://doi.org/10.1039/D5RA07454A","url":null,"abstract":"<p >A novel chiral triptycene-based imine ligand has been designed, synthesized and then characterized using various spectroscopic techniques, including FT-IR, <small><sup>1</sup></small>H NMR, <small><sup>13</sup></small>C NMR, and HRMS. It was first coordinated with cobalt to form a cobalt(<small>II</small>) complex, followed by combination with various axial ligands, such as acetate, tosylate, triflate, α,α,α-trifluoro-<em>p</em>-toluate and chloride, to generate the corresponding cobalt(<small>III</small>) complexes. These complexes were further analysed using EDS to confirm the coordination with cobalt. All the triptycene-based cobalt complexes demonstrated high catalytic efficiency towards the ring-opening reaction of epoxides with aniline derivatives, yielding β-amino alcohols in very high yields (up to >99%) with appreciable enantiomeric ratios (up to 81 : 19).</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49217-49226"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra07454a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729563","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}
Three single component Dy(III) complexes featuring β-diketone ligand TTBD (4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione) were studied for their potential as white-light emitters. The complexes include a water-containing species (DyA) and two anhydrous species (DyM and DyD) incorporating the auxiliary bidentate ligand pyrazine (pyz). The coordination geometry and ligand environment, particularly the nuclearity and presence of sensitizing co-ligands, significantly influence the relative intensities of the characteristic Dy(III) yellow 4F9/2 → 6H13/2 and blue 4F9/2 → 6H15/2 and ligand-based phosphorescence emissions. The introduction of pyrazine enhances energy transfer efficiency, leading to improved Dy(III) emission output. Chromaticity coordinates measured at RT indicate that DyA (0.339, 0.336), DyM (0.404, 0.428) and DyD (0.323, 0.367) emit light close to the ideal white light coordinates (0.333, 0.333) as defined by the CIE system. Corresponding CCT values further classify DyA (5202 K) and DyD (5845 K) as cool white emitters, while DyM (3786 K) lies within the neutral-yellowish range. Emission branching ratio (βR) analysis reveals that the 4F9/2 → 6H13/2 transition dominates (>90%), suggesting its suitability for laser amplification applications. In addition to their visible-light emission, the Dy(III) complexes exhibit good thermal stability and semiconducting characteristics, as confirmed by thermogravimetric (TG) and UV-Vis studies, respectively. Collectively, these findings support the potential application of these Dy(III) complexes as efficient, single component emitters for white light emitting devices (WLEDs).
{"title":"Pyrazine-driven dinuclear assembly of dysprosium(iii) β-diketonate complex: a fluxidentate bridging approach toward functional near-white luminescent materials","authors":"Vandana Aggarwal, Devender Singh, Sonia Redhu, Shri Bhagwan, Sumit Kumar, Rajender Singh Malik, Parvin Kumar, Jayant Sindhu and Varun Kumar","doi":"10.1039/D5RA05762K","DOIUrl":"https://doi.org/10.1039/D5RA05762K","url":null,"abstract":"<p >Three single component Dy(<small>III</small>) complexes featuring β-diketone ligand TTBD (4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione) were studied for their potential as white-light emitters. The complexes include a water-containing species (DyA) and two anhydrous species (DyM and DyD) incorporating the auxiliary bidentate ligand pyrazine (pyz). The coordination geometry and ligand environment, particularly the nuclearity and presence of sensitizing co-ligands, significantly influence the relative intensities of the characteristic Dy(<small>III</small>) yellow <small><sup>4</sup></small>F<small><sub>9/2</sub></small> → <small><sup>6</sup></small>H<small><sub>13/2</sub></small> and blue <small><sup>4</sup></small>F<small><sub>9/2</sub></small> → <small><sup>6</sup></small>H<small><sub>15/2</sub></small> and ligand-based phosphorescence emissions. The introduction of pyrazine enhances energy transfer efficiency, leading to improved Dy(<small>III</small>) emission output. Chromaticity coordinates measured at RT indicate that DyA (0.339, 0.336), DyM (0.404, 0.428) and DyD (0.323, 0.367) emit light close to the ideal white light coordinates (0.333, 0.333) as defined by the CIE system. Corresponding CCT values further classify DyA (5202 K) and DyD (5845 K) as cool white emitters, while DyM (3786 K) lies within the neutral-yellowish range. Emission branching ratio (<em>β</em><small><sub>R</sub></small>) analysis reveals that the <small><sup>4</sup></small>F<small><sub>9/2</sub></small> → <small><sup>6</sup></small>H<small><sub>13/2</sub></small> transition dominates (>90%), suggesting its suitability for laser amplification applications. In addition to their visible-light emission, the Dy(<small>III</small>) complexes exhibit good thermal stability and semiconducting characteristics, as confirmed by thermogravimetric (TG) and UV-Vis studies, respectively. Collectively, these findings support the potential application of these Dy(<small>III</small>) complexes as efficient, single component emitters for white light emitting devices (WLEDs).</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49227-49242"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra05762k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729564","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}
The sequential concatenation of Buchwald–Hartwig amination, Suzuki coupling, and lactamization in a consecutive palladium-catalyzed three-component synthesis provides direct access to functionalized N-arylsubstituted phenanthridinones and alkaloid-analogous crinasiadines starting from simple, readily available ortho-bromoanilines. A modified reaction sequence, consisting of Suzuki coupling, amide bond formation (lactamization), and subsequent alkylation at the amide nitrogen, provides N-alkylsubstituted phenanthridinones and crinasiadines, including two natural products, which are known for their cytotoxic activity against various cancer cell lines. A comprehensive investigation of the photophysical properties reveals dual emission of the N-aryl substituted derivatives, characterized by locally excited states (LE band) and intramolecular charge transfer states (CT band). Quantum chemical calculations rationalize the dual emission and suggest that the LE band derives from the pseudo-N-intra conformation, whereas the CT band arises from the pseudo-N-extra conformation in the excited state.
{"title":"Dual fluorescent phenanthridinones and crinasiadine derivatives by consecutive palladium-catalyzed three-component syntheses","authors":"Regina Kohlbecher and Thomas J. J. Müller","doi":"10.1039/D5RA06934C","DOIUrl":"https://doi.org/10.1039/D5RA06934C","url":null,"abstract":"<p >The sequential concatenation of Buchwald–Hartwig amination, Suzuki coupling, and lactamization in a consecutive palladium-catalyzed three-component synthesis provides direct access to functionalized <em>N</em>-arylsubstituted phenanthridinones and alkaloid-analogous crinasiadines starting from simple, readily available <em>ortho</em>-bromoanilines. A modified reaction sequence, consisting of Suzuki coupling, amide bond formation (lactamization), and subsequent alkylation at the amide nitrogen, provides <em>N</em>-alkylsubstituted phenanthridinones and crinasiadines, including two natural products, which are known for their cytotoxic activity against various cancer cell lines. A comprehensive investigation of the photophysical properties reveals dual emission of the <em>N</em>-aryl substituted derivatives, characterized by locally excited states (LE band) and intramolecular charge transfer states (CT band). Quantum chemical calculations rationalize the dual emission and suggest that the LE band derives from the <em>pseudo-N-intra</em> conformation, whereas the CT band arises from the <em>pseudo-N-extra</em> conformation in the excited state.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49364-49373"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra06934c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729572","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}
KBi3, a recently explored non-layered cubic compound, offers a distinctive platform beyond conventional van der Waals-type materials due to its intriguing physical characteristics. In this study, we conduct a comprehensive first-principles density functional theory (DFT) investigation of its structural, elastic, electronic, thermodynamic, and optical properties to establish its potential for optoelectronic applications. The computed elastic constants satisfy Born stability criteria, and complementary mechanical indicators—including Pugh's ratio, Poisson's ratio, and Cauchy pressure—confirm the ductile and mechanically stable nature of KBi3. The electronic band structure and density of states demonstrate metallic behavior with finite states at the Fermi level, accompanied by anisotropic energy dispersion that reflects variation in carrier effective mass along different crystallographic directions. Thermodynamic analysis within the quasi-harmonic Debye model predicts a relatively low Debye temperature, moderate melting point, and reduced lattice thermal conductivity, suggesting limited heat transport. Meanwhile, the optical spectra reveal pronounced reflectivity in the infrared region, a high refractive index, and strong absorption spanning the visible-ultraviolet range, underscoring the compound's metallic character and multifunctional optical response. These findings provide the first detailed theoretical framework for KBi3 and highlight its promise as a candidate material for advanced optoelectronic device technologies.
{"title":"First-principles investigation of structural, elastic, electronic, thermodynamic, and optical properties of KBi3 for optoelectronic applications","authors":"M. M. Rabbi and Mst. A. Khatun","doi":"10.1039/D5RA07125A","DOIUrl":"https://doi.org/10.1039/D5RA07125A","url":null,"abstract":"<p >KBi<small><sub>3</sub></small>, a recently explored non-layered cubic compound, offers a distinctive platform beyond conventional van der Waals-type materials due to its intriguing physical characteristics. In this study, we conduct a comprehensive first-principles density functional theory (DFT) investigation of its structural, elastic, electronic, thermodynamic, and optical properties to establish its potential for optoelectronic applications. The computed elastic constants satisfy Born stability criteria, and complementary mechanical indicators—including Pugh's ratio, Poisson's ratio, and Cauchy pressure—confirm the ductile and mechanically stable nature of KBi<small><sub>3</sub></small>. The electronic band structure and density of states demonstrate metallic behavior with finite states at the Fermi level, accompanied by anisotropic energy dispersion that reflects variation in carrier effective mass along different crystallographic directions. Thermodynamic analysis within the quasi-harmonic Debye model predicts a relatively low Debye temperature, moderate melting point, and reduced lattice thermal conductivity, suggesting limited heat transport. Meanwhile, the optical spectra reveal pronounced reflectivity in the infrared region, a high refractive index, and strong absorption spanning the visible-ultraviolet range, underscoring the compound's metallic character and multifunctional optical response. These findings provide the first detailed theoretical framework for KBi<small><sub>3</sub></small> and highlight its promise as a candidate material for advanced optoelectronic device technologies.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 57","pages":" 49165-49177"},"PeriodicalIF":4.6,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra07125a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145729558","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}