Irfan Ijaz, Aysha Bukhari, Ammara Nazir, Ezaz Gilani, Hina Zain, Attia Shaheen, Mohammed Rafi Shaik, Mujeeb Khan and Jilani P. Shaik
The simultaneous removal of antibiotics and heavy metal ions is of utmost importance because of their hazardous effects on the environment and humans. For the adsorption of sulfamethoxazole (SMX) and neodymium (Nd3+) in mono- and binary contaminant systems (SMX–Nd3+ and Nd3+–SMX), a novel composite was designed using sulfated fucan (FuS), MXenes, and α-aminophosphonates (AMPs) in this study. As far as we know, the concurrent adsorption of SMX and Nd3+ employing materials made of MXenes, FuS, and AMPs with this specific structure has not yet been reported. At 318 K, the FuS@MXene@AMP adsorbent demonstrated excellent adsorption capacities of 448.91 and 255.78 mg g−1 for SMX and Nd3+, respectively. The pseudo-first-order (PSO) kinetic model was the most appropriate for depicting the adsorption of SMX and Nd3+ among all the tested kinetic models. The adsorption of SMX and Nd3+ is better described by the Langmuir isotherm model with a higher value of adsorption capacity and R2. The simultaneous presence of Nd3+ and SMX promoted mutual sorption between the antibiotic and metal ions in the binary systems. The results of FTIR and XPS studies indicated that the removal mechanisms were primarily due to hydrogen bonding, complexation, electrostatic interaction, and π–π interaction.
{"title":"Simultaneous adsorption of sulfamethoxazole and neodymium from wastewater by a MXene-, α-aminophosphonate-, and sulfated fucan-based ternary composite based on anion-synergistic interactions†","authors":"Irfan Ijaz, Aysha Bukhari, Ammara Nazir, Ezaz Gilani, Hina Zain, Attia Shaheen, Mohammed Rafi Shaik, Mujeeb Khan and Jilani P. Shaik","doi":"10.1039/D4RA08766F","DOIUrl":"https://doi.org/10.1039/D4RA08766F","url":null,"abstract":"<p >The simultaneous removal of antibiotics and heavy metal ions is of utmost importance because of their hazardous effects on the environment and humans. For the adsorption of sulfamethoxazole (SMX) and neodymium (Nd<small><sup>3+</sup></small>) in mono- and binary contaminant systems (SMX–Nd<small><sup>3+</sup></small> and Nd<small><sup>3+</sup></small>–SMX), a novel composite was designed using sulfated fucan (<strong>FuS</strong>), <strong>MXene</strong>s, and α-aminophosphonates (<strong>AMP</strong>s) in this study. As far as we know, the concurrent adsorption of SMX and Nd<small><sup>3+</sup></small> employing materials made of <strong>MXene</strong>s, <strong>FuS</strong>, and <strong>AMP</strong>s with this specific structure has not yet been reported. At 318 K, the <strong>FuS</strong>@<strong>MXene</strong>@<strong>AMP</strong> adsorbent demonstrated excellent adsorption capacities of 448.91 and 255.78 mg g<small><sup>−1</sup></small> for SMX and Nd<small><sup>3+</sup></small>, respectively. The pseudo-first-order (PSO) kinetic model was the most appropriate for depicting the adsorption of SMX and Nd<small><sup>3+</sup></small> among all the tested kinetic models. The adsorption of SMX and Nd<small><sup>3+</sup></small> is better described by the Langmuir isotherm model with a higher value of adsorption capacity and <em>R</em><small><sup>2</sup></small>. The simultaneous presence of Nd<small><sup>3+</sup></small> and SMX promoted mutual sorption between the antibiotic and metal ions in the binary systems. The results of FTIR and XPS studies indicated that the removal mechanisms were primarily due to hydrogen bonding, complexation, electrostatic interaction, and π–π interaction.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5042-5059"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08766f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422968","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}
Zein El Abidine Aly Taleb, Kamel Saidi and Mohamed Dammak
A series of NaCaY(MoO4)3 (NCYM) phosphors doped with Pr3+ ions was synthesized to develop advanced materials for optical temperature sensing. The structures, morphologies, and luminescent characteristics of these phosphors were thoroughly analyzed. X-ray diffraction (XRD) results confirm that all phosphors exhibit a tetragonal phase with a scheelite-type structure. Optical properties were characterized using UV-visible absorption and photoluminescence (PL) spectroscopy. Under 450 nm excitation, optimal luminescence intensity was achieved at a Pr3+ concentration of 30 mol%. Fluorescence intensity ratio (FIR) techniques, based on emissions from various excited states of Pr3+ (3P1 → 3H5 and 3P0 → 3H5; 3P1 → 3H5 and 3P0 → 3F2), were employed for thermometric characterization over the 298–498 K range. The results indicate excellent temperature detection performance, with maximum relative sensitivities of 0.69% per K and 1.2% per K at 298 K, respectively. Additionally, a study of temperature uncertainty (δT) demonstrated values below 0.06 K, with repeatability (R) exceeding 97%. The temperature-induced shift in chromaticity further improves the material's functionality, as the CIE coordinates change from (0.3806, 0.4278) at 298 K to (0.3772, 0.4229) at 498 K, demonstrating a stable transition towards yellow. These findings suggest that Pr3+-activated NCYM phosphors have significant potential for application in non-contact optical thermometry.
{"title":"High-precision optical thermometry using Pr3+-doped NaCaY(MoO4)3 luminophores: a multi-spectral and chromaticity-based approach to non-contact temperature sensing†","authors":"Zein El Abidine Aly Taleb, Kamel Saidi and Mohamed Dammak","doi":"10.1039/D5RA00093A","DOIUrl":"https://doi.org/10.1039/D5RA00093A","url":null,"abstract":"<p >A series of NaCaY(MoO<small><sub>4</sub></small>)<small><sub>3</sub></small> (NCYM) phosphors doped with Pr<small><sup>3+</sup></small> ions was synthesized to develop advanced materials for optical temperature sensing. The structures, morphologies, and luminescent characteristics of these phosphors were thoroughly analyzed. X-ray diffraction (XRD) results confirm that all phosphors exhibit a tetragonal phase with a scheelite-type structure. Optical properties were characterized using UV-visible absorption and photoluminescence (PL) spectroscopy. Under 450 nm excitation, optimal luminescence intensity was achieved at a Pr<small><sup>3+</sup></small> concentration of 30 mol%. Fluorescence intensity ratio (FIR) techniques, based on emissions from various excited states of Pr<small><sup>3+</sup></small> (<small><sup>3</sup></small>P<small><sub>1</sub></small> → <small><sup>3</sup></small>H<small><sub>5</sub></small> and <small><sup>3</sup></small>P<small><sub>0</sub></small> → <small><sup>3</sup></small>H<small><sub>5</sub></small>; <small><sup>3</sup></small>P<small><sub>1</sub></small> → <small><sup>3</sup></small>H<small><sub>5</sub></small> and <small><sup>3</sup></small>P<small><sub>0</sub></small> → <small><sup>3</sup></small>F<small><sub>2</sub></small>), were employed for thermometric characterization over the 298–498 K range. The results indicate excellent temperature detection performance, with maximum relative sensitivities of 0.69% per K and 1.2% per K at 298 K, respectively. Additionally, a study of temperature uncertainty (δ<em>T</em>) demonstrated values below 0.06 K, with repeatability (<em>R</em>) exceeding 97%. The temperature-induced shift in chromaticity further improves the material's functionality, as the CIE coordinates change from (0.3806, 0.4278) at 298 K to (0.3772, 0.4229) at 498 K, demonstrating a stable transition towards yellow. These findings suggest that Pr<small><sup>3+</sup></small>-activated NCYM phosphors have significant potential for application in non-contact optical thermometry.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5327-5337"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00093a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430747","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 use of Eurycoma longifolia Jack (EL) in combination with honey is widely recognized in conventional medicine because of its aphrodisiac and pyretic properties. However, the effects of honey, a natural deep eutectic solvent (NADES), on the phytochemical stability and anti-inflammatory activity of EL remain unknown. This study aimed to investigate the effect of honey on phytochemical and anti-inflammatory effects of EL. The stabilities of bioactive compounds, including eurycomanone (EU), 9-hydroxycanthine-6-one (9HCO), and 9-methoxycanthine-6-one (9MCO), were evaluated after treating EL with honey. The anti-inflammatory activity was assessed by measuring the inhibition of NO production in lipopolysaccharide-induced RAW264.7 macrophages. The EL formulations treated with honey exhibited significantly higher yields of EU and 9HCO; however, a decrease in 9MCO was observed. After a 90 day infusion, the anti-inflammatory activities of honey-treated EL (9.19–68.73% NO inhibition) and simulated honey-NADES-treated EL (5.37–66.68% NO inhibition) were slightly lower than that of the non-treated EL extract (10.34–77.93% NO inhibition). Nonsugar honey constituents also exhibited anti-inflammatory effects. The combination of EL extract and honey resulted in a slightly lower anti-inflammatory activity (11.66–68.55% NO inhibition) compared with the EL extract. Honey and NADES enhanced the extraction and stabilization of bioactive compounds from EL. The anti-inflammatory properties of EL were preserved after honey treatment, indicating that honey-treated EL is a potential natural treatment for inflammatory conditions.
{"title":"Effect of honey, as a natural deep eutectic solvent, on the phytochemical stability and anti-inflammatory activity of Eurycoma longifolia Jack†","authors":"Chanakan Sitthisak, Juntratip Jomrit, Warangkana Chunglok, Waraporn Putalun, Tripetch Kanchanapoom, Thaweesak Juengwatanatrakul and Gorawit Yusakul","doi":"10.1039/D4RA05005C","DOIUrl":"https://doi.org/10.1039/D4RA05005C","url":null,"abstract":"<p >The use of <em>Eurycoma longifolia</em> Jack (EL) in combination with honey is widely recognized in conventional medicine because of its aphrodisiac and pyretic properties. However, the effects of honey, a natural deep eutectic solvent (NADES), on the phytochemical stability and anti-inflammatory activity of EL remain unknown. This study aimed to investigate the effect of honey on phytochemical and anti-inflammatory effects of EL. The stabilities of bioactive compounds, including eurycomanone (EU), 9-hydroxycanthine-6-one (9HCO), and 9-methoxycanthine-6-one (9MCO), were evaluated after treating EL with honey. The anti-inflammatory activity was assessed by measuring the inhibition of NO production in lipopolysaccharide-induced RAW264.7 macrophages. The EL formulations treated with honey exhibited significantly higher yields of EU and 9HCO; however, a decrease in 9MCO was observed. After a 90 day infusion, the anti-inflammatory activities of honey-treated EL (9.19–68.73% NO inhibition) and simulated honey-NADES-treated EL (5.37–66.68% NO inhibition) were slightly lower than that of the non-treated EL extract (10.34–77.93% NO inhibition). Nonsugar honey constituents also exhibited anti-inflammatory effects. The combination of EL extract and honey resulted in a slightly lower anti-inflammatory activity (11.66–68.55% NO inhibition) compared with the EL extract. Honey and NADES enhanced the extraction and stabilization of bioactive compounds from EL. The anti-inflammatory properties of EL were preserved after honey treatment, indicating that honey-treated EL is a potential natural treatment for inflammatory conditions.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5252-5263"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra05005c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143430745","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}
Sammer M. Bekhit, Sahar A. Zaki, Mohamed Salah El-Din Hassouna and Marwa Elkady
The excessive use of antibiotics, including ciprofloxacin (CIP) and tetracycline (TC), poses negative impacts on both human health and ecosystems. In this work, fullerene/magnesium oxide (F/MgO) nanocomposite was prepared and studied as adsorbent for CIP and TC removal. Adding metal oxide to F led to a change in its characteristics which was confirmed by XRD, FTIR, SEM, and TEM. A maximal removal for 50 mg L−1 CIP was 84.6% at 60 min, pH 7, and 0.2 g L−1 of adsorbent dose. 43.6% of 50 mg L−1 of TC adsorbed at 60 min, pH 5, and 1 g L−1 of adsorbent dose. Adsorption thermodynamics elucidated that the adsorption on F/MgO nanocomposite were spontaneous and exothermic, and non-spontaneous and endothermic for CIP and TC, respectively. Pseudo-second-order kinetic model fitted well the adsorption data of CIP and TC. Various coexisting ions had different impacts on the adsorption efficiency of CIP and TC. The competitive adsorption between CIP and TC on the surface of F/MgO nanocomposite was studied. The F/MgO nanocomposite was efficiently reused 5 cycles for CIP and TC removal and remained effective. This work explores a novel adsorbent for the elimination of CIP and TC from aqueous solutions.
{"title":"Effectiveness of fullerene/magnesium oxide nanocomposite in removing ciprofloxacin and tetracycline from aqueous solutions†","authors":"Sammer M. Bekhit, Sahar A. Zaki, Mohamed Salah El-Din Hassouna and Marwa Elkady","doi":"10.1039/D4RA07938H","DOIUrl":"https://doi.org/10.1039/D4RA07938H","url":null,"abstract":"<p >The excessive use of antibiotics, including ciprofloxacin (CIP) and tetracycline (TC), poses negative impacts on both human health and ecosystems. In this work, fullerene/magnesium oxide (F/MgO) nanocomposite was prepared and studied as adsorbent for CIP and TC removal. Adding metal oxide to F led to a change in its characteristics which was confirmed by XRD, FTIR, SEM, and TEM. A maximal removal for 50 mg L<small><sup>−1</sup></small> CIP was 84.6% at 60 min, pH 7, and 0.2 g L<small><sup>−1</sup></small> of adsorbent dose. 43.6% of 50 mg L<small><sup>−1</sup></small> of TC adsorbed at 60 min, pH 5, and 1 g L<small><sup>−1</sup></small> of adsorbent dose. Adsorption thermodynamics elucidated that the adsorption on F/MgO nanocomposite were spontaneous and exothermic, and non-spontaneous and endothermic for CIP and TC, respectively. Pseudo-second-order kinetic model fitted well the adsorption data of CIP and TC. Various coexisting ions had different impacts on the adsorption efficiency of CIP and TC. The competitive adsorption between CIP and TC on the surface of F/MgO nanocomposite was studied. The F/MgO nanocomposite was efficiently reused 5 cycles for CIP and TC removal and remained effective. This work explores a novel adsorbent for the elimination of CIP and TC from aqueous solutions.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5190-5201"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra07938h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422959","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}
Timur Aliev, Ilya Korolev, Mikhail Yasnov, Michael Nosonovsky and Ekaterina V. Skorb
This study presents a machine learning (ML)/Artificial Intelligence (AI) approach to classify types of sparkling wines (champagnes) and their respective containers using image data of bubble patterns. Sparkling wines are oversaturated with dissolved CO2, which results in extensive bubbling when the wine bottle is uncorked. The nucleation and properties of bubbles depend on the chemical composition of the wine, the properties of the glass, and the concentration of CO2. For carbonated liquids supersaturated with CO2, the interaction of natural and cavitation bubbles is a non-trivial matter. We study ultrasonic cavitation bubbles in two types of sparkling wines and two types of glasses with the computer vision (CV) analysis of video images and clustering using an artificial neural network (NN) approach. By integrating a segmentation NN to filter out irrelevant frames and applying the Contrastive Language-Image Pre-Training (CLIP) NN for feature embedding, followed by TabNet for classification, we demonstrate a novel application of ML/AI for distinguishing champagne characteristics. The results show that the bubbles are significantly different to be classified by the ML techniques for different types of wine and glasses. Consequently, our study demonstrates that CV/AI/ML analysis of ultrasound cavitation bubbles can be used to analyze carbonated liquids.
{"title":"Rosé or white, glass or plastic: computer vision and machine learning study of cavitation bubbles in sparkling wines","authors":"Timur Aliev, Ilya Korolev, Mikhail Yasnov, Michael Nosonovsky and Ekaterina V. Skorb","doi":"10.1039/D5RA00046G","DOIUrl":"https://doi.org/10.1039/D5RA00046G","url":null,"abstract":"<p >This study presents a machine learning (ML)/Artificial Intelligence (AI) approach to classify types of sparkling wines (champagnes) and their respective containers using image data of bubble patterns. Sparkling wines are oversaturated with dissolved CO<small><sub>2</sub></small>, which results in extensive bubbling when the wine bottle is uncorked. The nucleation and properties of bubbles depend on the chemical composition of the wine, the properties of the glass, and the concentration of CO<small><sub>2</sub></small>. For carbonated liquids supersaturated with CO<small><sub>2</sub></small>, the interaction of natural and cavitation bubbles is a non-trivial matter. We study ultrasonic cavitation bubbles in two types of sparkling wines and two types of glasses with the computer vision (CV) analysis of video images and clustering using an artificial neural network (NN) approach. By integrating a segmentation NN to filter out irrelevant frames and applying the Contrastive Language-Image Pre-Training (CLIP) NN for feature embedding, followed by TabNet for classification, we demonstrate a novel application of ML/AI for distinguishing champagne characteristics. The results show that the bubbles are significantly different to be classified by the ML techniques for different types of wine and glasses. Consequently, our study demonstrates that CV/AI/ML analysis of ultrasound cavitation bubbles can be used to analyze carbonated liquids.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5151-5158"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d5ra00046g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422960","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}
Zhaojun Tan, Shuaihui Guo, Wen Wang, Gang Li and Zhenwei Yan
Precise catalyst design is essential in the electrolysis of water to deliver clean energy, where the challenge is to construct highly active sites at the electrocatalyst interface. In this study, CoPVP/NFF (NiFe foam) and Mo–CoPVP/NFF precursors were synthesized sequentially in a hydrothermal procedure using NiFe foam as substrate with the ultimate formation of a NiFeCoMoS/NFF electrocatalyst by vulcanization at 350°. The NiFeCoMoS/NFF system exhibits a complex 1D–2D–3D composite structure with 1D nanoparticles attached to a 2D nano-paper on the surface of the 3D NiFe foam. The overpotentials associated with hydrogen and oxygen evolution by NiFeCoMoS/NFF are 123 mV and 245 mV, respectively, at a current density of 10 mA cm−2. A three-electrode system using NiFeCoMoS/NFF as working and counter electrode has been assembled that can generate current densities of 100 mA cm−2 at voltages of 1.87 V. Theoretical (DFT) calculations have shown that NiFeCoMoS/NFF exhibits favorable H adsorption energetics and a low OER reaction barrier. This study has identified a viable means of enhancing the efficiency of water electrolysis by regulating catalyst surface structure.
{"title":"Multi-dimensional composite catalyst NiFeCoMoS/NFF for overall electrochemical water splitting†","authors":"Zhaojun Tan, Shuaihui Guo, Wen Wang, Gang Li and Zhenwei Yan","doi":"10.1039/D4RA08605H","DOIUrl":"https://doi.org/10.1039/D4RA08605H","url":null,"abstract":"<p >Precise catalyst design is essential in the electrolysis of water to deliver clean energy, where the challenge is to construct highly active sites at the electrocatalyst interface. In this study, CoPVP/NFF (NiFe foam) and Mo–CoPVP/NFF precursors were synthesized sequentially in a hydrothermal procedure using NiFe foam as substrate with the ultimate formation of a NiFeCoMoS/NFF electrocatalyst by vulcanization at 350°. The NiFeCoMoS/NFF system exhibits a complex 1D–2D–3D composite structure with 1D nanoparticles attached to a 2D nano-paper on the surface of the 3D NiFe foam. The overpotentials associated with hydrogen and oxygen evolution by NiFeCoMoS/NFF are 123 mV and 245 mV, respectively, at a current density of 10 mA cm<small><sup>−2</sup></small>. A three-electrode system using NiFeCoMoS/NFF as working and counter electrode has been assembled that can generate current densities of 100 mA cm<small><sup>−2</sup></small> at voltages of 1.87 V. Theoretical (DFT) calculations have shown that NiFeCoMoS/NFF exhibits favorable H adsorption energetics and a low OER reaction barrier. This study has identified a viable means of enhancing the efficiency of water electrolysis by regulating catalyst surface structure.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5305-5315"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08605h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422954","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}
Ghulam M. Mustafa, Bisma Younas, Ahmad Ayyaz, A. I. Aljameel, Saud Alotaibi, S. Bouzgarrou, Syed Kashif Ali, Q. Mahmood, Imed Boukhris and M. S. Al-Buriahi
The present communication aims to provide a theoretical examination of the structural, electronic, optical, transport, and mechanical characteristics of Li2AgAsX6 (X = Cl, Br, I) to check their potential for optoelectronic and thermoelectric applications. The structural analysis reveals their cubic symmetry, and their structural and thermodynamic stability is verified through assessments of their tolerance factors (0.96, 0.94, and 0.93) and formation energies (−3.63, −3.10, and −2.16 eV). Their mechanical stability and ductile nature are confirmed using elastic constants, Poisson's ratio, and Pugh's criterion. Analysis of the band structure exhibits bandgaps of 0.86, 0.56, and 0.22 eV for Cl-, Br- and I-based compositions. Analysis of their optical behavior is carried out in terms of complex dielectric constant, complex refractive index, optical conductivity, reflectivity, and loss, providing better insight into material characteristics. The highest absorption in the infrared region underscores their prospects as infrared detectors. Additionally, the materials exhibit high electrical conductivity, and ultra-low lattice thermal conductivity with a considerable figure of merit, highlighting their feasibility for thermoelectric devices.
{"title":"First principles study of double perovskites Li2AgAsX6 (X = Cl, Br, I) for optoelectronic and thermoelectric applications","authors":"Ghulam M. Mustafa, Bisma Younas, Ahmad Ayyaz, A. I. Aljameel, Saud Alotaibi, S. Bouzgarrou, Syed Kashif Ali, Q. Mahmood, Imed Boukhris and M. S. Al-Buriahi","doi":"10.1039/D4RA07969H","DOIUrl":"https://doi.org/10.1039/D4RA07969H","url":null,"abstract":"<p >The present communication aims to provide a theoretical examination of the structural, electronic, optical, transport, and mechanical characteristics of Li<small><sub>2</sub></small>AgAsX<small><sub>6</sub></small> (X = Cl, Br, I) to check their potential for optoelectronic and thermoelectric applications. The structural analysis reveals their cubic symmetry, and their structural and thermodynamic stability is verified through assessments of their tolerance factors (0.96, 0.94, and 0.93) and formation energies (−3.63, −3.10, and −2.16 eV). Their mechanical stability and ductile nature are confirmed using elastic constants, Poisson's ratio, and Pugh's criterion. Analysis of the band structure exhibits bandgaps of 0.86, 0.56, and 0.22 eV for Cl-, Br- and I-based compositions. Analysis of their optical behavior is carried out in terms of complex dielectric constant, complex refractive index, optical conductivity, reflectivity, and loss, providing better insight into material characteristics. The highest absorption in the infrared region underscores their prospects as infrared detectors. Additionally, the materials exhibit high electrical conductivity, and ultra-low lattice thermal conductivity with a considerable figure of merit, highlighting their feasibility for thermoelectric devices.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5202-5213"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra07969h?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422961","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}
Wenquan Zhang, Dayou Shi, Shirui Huang, Shaochuan Li, Min Zeng and Yanming Wei
Fractures affect millions of individuals worldwide, particularly those with osteoporosis, and often require rigid fixation for proper healing. Although traditional metal bone plates are effective, they are limited by their stiffness and inability to conform precisely to anatomical structures, leading to complications such as stress shielding and delayed healing. In this study, we utilized computer-aided design (CAD) combined with reverse engineering to develop a 3D bone plate scaffold model that perfectly matches the contours of the rabbit femur. Additionally, we employed fused deposition modeling (FDM) 3D printing to fabricate a customized polyetheretherketone (PEEK) bone plate scaffold based on the model, designed to match individual bone structures and reduce rigidity-related issues. To enhance the bioactivity of the PEEK scaffold surface, we applied plasma spraying technology to coat it with bioactive materials, including nanohydroxyapatite (HA), tantalum (Ta), and titanium (Ti). The results showed that the HA coating contained 48.06% calcium (Ca) and 16.47% phosphorus (P) and the Ti coating contained 82.32% Ti. In vitro studies showed that the bioactive scaffold effectively promoted the proliferation and differentiation of osteogenic mesenchymal stem cells, with a cell survival rate greater than 93.86%. Moreover, in vivo results from the rabbit femoral defect model showed that the bioactive scaffolds significantly accelerated bone tissue healing, with HA-coated PEEK scaffolds exhibiting exceptional bone regeneration potential. This study proposes a comprehensive strategy for customizing bone plate scaffolds, which holds significant promise for personalized precision medicine.
{"title":"Personalised 3D-printed bioactive peek bone plate scaffold for treating femoral defects†","authors":"Wenquan Zhang, Dayou Shi, Shirui Huang, Shaochuan Li, Min Zeng and Yanming Wei","doi":"10.1039/D4RA07573K","DOIUrl":"https://doi.org/10.1039/D4RA07573K","url":null,"abstract":"<p >Fractures affect millions of individuals worldwide, particularly those with osteoporosis, and often require rigid fixation for proper healing. Although traditional metal bone plates are effective, they are limited by their stiffness and inability to conform precisely to anatomical structures, leading to complications such as stress shielding and delayed healing. In this study, we utilized computer-aided design (CAD) combined with reverse engineering to develop a 3D bone plate scaffold model that perfectly matches the contours of the rabbit femur. Additionally, we employed fused deposition modeling (FDM) 3D printing to fabricate a customized polyetheretherketone (PEEK) bone plate scaffold based on the model, designed to match individual bone structures and reduce rigidity-related issues. To enhance the bioactivity of the PEEK scaffold surface, we applied plasma spraying technology to coat it with bioactive materials, including nanohydroxyapatite (HA), tantalum (Ta), and titanium (Ti). The results showed that the HA coating contained 48.06% calcium (Ca) and 16.47% phosphorus (P) and the Ti coating contained 82.32% Ti. <em>In vitro</em> studies showed that the bioactive scaffold effectively promoted the proliferation and differentiation of osteogenic mesenchymal stem cells, with a cell survival rate greater than 93.86%. Moreover, <em>in vivo</em> results from the rabbit femoral defect model showed that the bioactive scaffolds significantly accelerated bone tissue healing, with HA-coated PEEK scaffolds exhibiting exceptional bone regeneration potential. This study proposes a comprehensive strategy for customizing bone plate scaffolds, which holds significant promise for personalized precision medicine.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5060-5072"},"PeriodicalIF":3.9,"publicationDate":"2025-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra07573k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422973","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}
Lung cancer remains a dreaded disease globally due to its high mortality rates. New cases of lung cancer are estimated at 1.8 million a year, with about 1.6 million deaths. Conventional treatment regimens are inefficient due to their failure to eradicate lung cancer stem cells (LCSCs). LCSCs are noted to self-renew, cause relapse, strengthen metastasis, preserve tumorigenicity, and are very resistant to treatment. This shows the need for a novel treatment modality that can target lung cancer and its stem cells. In this study, a photoactive curcumin–silver nanoparticle–polymer conjugate (Cum–PEG–BpAgNPs) was developed to enhance lung cancer photodynamic therapy (PDT). Lung cancer cells and LCSCs were treated with Cum–PEG–BpAgNPs followed by light irradiation at 470 nm. Post-analytical assays including 3-[4,5-dimethylthiazole-2yl]-2,5-diphenyl tetrazolium bromide, lactate dehydrogenase, adenosine triphosphate, ROS by DCFH-DA, annexin V-FITC/PI cell death studies, and morphological analysis were performed. The characterization analysis confirmed the bio-formulation of Cum–PEG–BpAgNPs conjugate. The LCSCs characterization indicated the presence of LCSCs in the isolated cell population. The biochemical assays post-PDT revealed substantial cytotoxicity when lower concentrations of Cum–PEG–BpAgNPs were used. The IC50 value of the conjugate was noted at 4.014 μg mL−1 and 2.373 μg mL−1 for lung cancer cells and LCSCs, respectively. An elevated ROS production was induced, leading to apoptosis post-PDT. Therefore, Cum–PEG–BpAgNPs could be used in the mediation PDT to eliminate lung cancer cells effectively.
{"title":"Green silver nanoparticles curcumin conjugate induced photodynamic therapy of lung cancer and lung cancer stem cells†","authors":"Glory Kah, Rahul Chandran and Heidi Abrahamse","doi":"10.1039/D4RA06035K","DOIUrl":"https://doi.org/10.1039/D4RA06035K","url":null,"abstract":"<p >Lung cancer remains a dreaded disease globally due to its high mortality rates. New cases of lung cancer are estimated at 1.8 million a year, with about 1.6 million deaths. Conventional treatment regimens are inefficient due to their failure to eradicate lung cancer stem cells (LCSCs). LCSCs are noted to self-renew, cause relapse, strengthen metastasis, preserve tumorigenicity, and are very resistant to treatment. This shows the need for a novel treatment modality that can target lung cancer and its stem cells. In this study, a photoactive curcumin–silver nanoparticle–polymer conjugate (Cum–PEG–BpAgNPs) was developed to enhance lung cancer photodynamic therapy (PDT). Lung cancer cells and LCSCs were treated with Cum–PEG–BpAgNPs followed by light irradiation at 470 nm. Post-analytical assays including 3-[4,5-dimethylthiazole-2yl]-2,5-diphenyl tetrazolium bromide, lactate dehydrogenase, adenosine triphosphate, ROS by DCFH-DA, annexin V-FITC/PI cell death studies, and morphological analysis were performed. The characterization analysis confirmed the bio-formulation of Cum–PEG–BpAgNPs conjugate. The LCSCs characterization indicated the presence of LCSCs in the isolated cell population. The biochemical assays post-PDT revealed substantial cytotoxicity when lower concentrations of Cum–PEG–BpAgNPs were used. The IC<small><sub>50</sub></small> value of the conjugate was noted at 4.014 μg mL<small><sup>−1</sup></small> and 2.373 μg mL<small><sup>−1</sup></small> for lung cancer cells and LCSCs, respectively. An elevated ROS production was induced, leading to apoptosis post-PDT. Therefore, Cum–PEG–BpAgNPs could be used in the mediation PDT to eliminate lung cancer cells effectively.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 7","pages":" 5020-5041"},"PeriodicalIF":3.9,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra06035k?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143422969","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}
Abdullah H. Alluhayb, Ahmed Hamad Alanazi, Alaa M. Younis, Khaled F. Debbabi, Refat El-Sayed and Alaa S. Amin
A new selective optode has been created for the ultra-sensitive detection of lead ions at trace levels. The membrane is created by incorporating tri-n-octylphosphine oxide (TOPO), 2-amino-4-(4-nitrophenyl)diazenyl pyridine-3-ol (ANPDP), and sodium tetraphenylborate (Na-TPB) into a matrix of plasticized poly(vinyl chloride) (PVC) and o-nitrophenyloctyl ether (o-NPOE). ANPDP serves as a chromophore in this design, while TOPO promotes the formation of a complex between lead ions (Pb2+) and ANPDP, resulting in a cooperative interaction. The composition of the optode was optimized to achieve maximum sensor performance. The sensor exhibits a linear dynamic range from 6.0 to 160 ng mL−1, with quantification and detection limits of 5.9 ng mL−1 and 1.8 ng mL−1, respectively. The membrane demonstrated rapid response times and long-term durability, with no detectable leaching of ANPDP. To ensure accurate total lead determination, Pb4+ ions were reduced to Pb2+ using 6.00 M HCl and freshly prepared 2.50% (w/v) sodium azide. The optode sensor exhibited superior specificity for Pb2+ ions, even when other ions that could potentially interfere were present. It could be effectively regenerated by treatment with 0.1 M ethylenedi-aminetetraacetic acid (EDTA), restoring its functionality for repeated use. The sensor was successfully applied to detect lead in various complex matrices, including biological fluids, environmental water, and food samples, demonstrating its broad applicability and reliability for real-world lead monitoring.
{"title":"Development of an optode based on 2-amino-4-(4-nitrophenyl)diazenyl pyridine-3-ol and tri-n-octyl phosphine oxide for trace-level lead detection in complex samples†","authors":"Abdullah H. Alluhayb, Ahmed Hamad Alanazi, Alaa M. Younis, Khaled F. Debbabi, Refat El-Sayed and Alaa S. Amin","doi":"10.1039/D4RA08828J","DOIUrl":"https://doi.org/10.1039/D4RA08828J","url":null,"abstract":"<p >A new selective optode has been created for the ultra-sensitive detection of lead ions at trace levels. The membrane is created by incorporating tri-<em>n</em>-octylphosphine oxide (TOPO), 2-amino-4-(4-nitrophenyl)diazenyl pyridine-3-ol (<strong>ANPDP</strong>), and sodium tetraphenylborate (Na-TPB) into a matrix of plasticized poly(vinyl chloride) (PVC) and <em>o</em>-nitrophenyloctyl ether (<em>o</em>-NPOE). <strong>ANPDP</strong> serves as a chromophore in this design, while TOPO promotes the formation of a complex between lead ions (Pb<small><sup>2+</sup></small>) and <strong>ANPDP</strong>, resulting in a cooperative interaction. The composition of the optode was optimized to achieve maximum sensor performance. The sensor exhibits a linear dynamic range from 6.0 to 160 ng mL<small><sup>−1</sup></small>, with quantification and detection limits of 5.9 ng mL<small><sup>−1</sup></small> and 1.8 ng mL<small><sup>−1</sup></small>, respectively. The membrane demonstrated rapid response times and long-term durability, with no detectable leaching of <strong>ANPDP</strong>. To ensure accurate total lead determination, Pb<small><sup>4+</sup></small> ions were reduced to Pb<small><sup>2+</sup></small> using 6.00 M HCl and freshly prepared 2.50% (w/v) sodium azide. The optode sensor exhibited superior specificity for Pb<small><sup>2+</sup></small> ions, even when other ions that could potentially interfere were present. It could be effectively regenerated by treatment with 0.1 M ethylenedi-aminetetraacetic acid (EDTA), restoring its functionality for repeated use. The sensor was successfully applied to detect lead in various complex matrices, including biological fluids, environmental water, and food samples, demonstrating its broad applicability and reliability for real-world lead monitoring.</p>","PeriodicalId":102,"journal":{"name":"RSC Advances","volume":" 5","pages":" 3278-3289"},"PeriodicalIF":3.9,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ra/d4ra08828j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143404045","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}