FlatChemPub Date : 2025-11-01Epub Date: 2025-10-19DOI: 10.1016/j.flatc.2025.100960
Valentina Sierra-Jimenez , Farid Chejne , Manuel Garcia-Perez
{"title":"First principles and neural network-driven biochar spectral database: Raman, XPS, IR, and NMR","authors":"Valentina Sierra-Jimenez , Farid Chejne , Manuel Garcia-Perez","doi":"10.1016/j.flatc.2025.100960","DOIUrl":"10.1016/j.flatc.2025.100960","url":null,"abstract":"<div><div>This study integrates density functional theory and neural network algorithms to predict the spectra of 32 representative molecular structures identified in biochar. This approach addresses computational challenges in biochar molecular modeling and results in the generation of a spectral database covering X-ray photoelectron spectroscopy (XPS) (C 1 s, O 1 s, and N 1 s), Raman and infrared (IR) spectroscopy, <sup>1</sup>H and <sup>13</sup>C nuclear magnetic resonance (NMR), and 2D NMR. The spectra of independent molecules were then aggregated to describe the spectrum of cellulose char produced at 500 °C. Integrating first-principles predictions with machine-learning techniques establishes a connection between the atomic structures of biochar and their corresponding spectroscopic signatures. This work also expands the reliability of experimental data interpretation, providing a robust framework for atomic-level modeling and characterization. The theoretical spectra strongly aligned with experimental data, achieving >90 % agreement for <sup>13</sup>C NMR and XPS and > 77 % correspondence for IR and Raman spectroscopy. These results demonstrate the enhanced predictive power of theoretical spectra derived from accurate molecular structures. The spectral database and atomistic structures lay the foundation for future research, providing opportunities to develop machine-learning algorithms that can effectively predict theoretical spectra. Furthermore, this approach facilitates the generation of spectra that would otherwise be costly or difficult to obtain experimental.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100960"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FlatChemPub Date : 2025-11-01Epub Date: 2025-10-14DOI: 10.1016/j.flatc.2025.100954
Noel I. Kaaya , Maheswara R. Vegi , Athanas S. Macheyeki
{"title":"Graphene-based adsorbents for selective recovery of rare earth elements from mining wastes: A review","authors":"Noel I. Kaaya , Maheswara R. Vegi , Athanas S. Macheyeki","doi":"10.1016/j.flatc.2025.100954","DOIUrl":"10.1016/j.flatc.2025.100954","url":null,"abstract":"<div><div>The global demand for rare earth elements (REEs) is steadily increasing due to their essential role in green energy technologies, advanced electronics, medical applications, and defense systems. This rising demand has created a supply–demand imbalance, encouraging the search for alternative sources and cost-effective recovery methods, especially from secondary resources such as mining wastes. However, recovering REEs from mine effluents remains challenging due to their complex chemical nature, including high ionic strength and extreme pH levels, which limit the effectiveness of conventional adsorbents.</div><div>This review assesses the economic potential of REE recovery from mining wastes. It explores recent advancements in graphene-based adsorbents for REE recovery. A review of 31 studies published between 2015 and 2025 indicates that mining wastes have an average outlook coefficient (C<sub>outl</sub>) of 0.91 and a critical REE percent of 33.12, showing strong potential for economic recovery, particularly from coal and metal mining residues. Graphene-based adsorbents offer promising features, including high surface area, adjustable surface properties, mechanical strength, and reusability. Improvements in graphene, such as functionalization with biomolecules, the development of three-dimensional structures, and magnetization, have further increased its adsorption capacity and durability. However, achieving high selectivity for individual REEs remains a key challenge.</div><div>Ion imprinting presents a potential solution by enabling the design of specific recognition sites that enhance selectivity and binding efficiency. Combining this approach with advanced material design can lead to next-generation graphene-based adsorbents, supporting efficient REE recovery from mining wastes and contributing to sustainable resource management and circular economy goals.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100954"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145324474","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FlatChemPub Date : 2025-11-01Epub Date: 2025-10-04DOI: 10.1016/j.flatc.2025.100949
Bing Wei , Changyu Liu , Fan Feng , Yupei Li , Qingwen Qu , Ailian Liu , Xinming Gao , Huizhu Xu , Jue Wang
{"title":"In-situ synthesis of RGO/Fe3O4 nanocomposites: Optimizing electromagnetic interference shielding properties","authors":"Bing Wei , Changyu Liu , Fan Feng , Yupei Li , Qingwen Qu , Ailian Liu , Xinming Gao , Huizhu Xu , Jue Wang","doi":"10.1016/j.flatc.2025.100949","DOIUrl":"10.1016/j.flatc.2025.100949","url":null,"abstract":"<div><div>Addressing escalating electromagnetic radiation pollution, this research emphasizes the development of advanced materials with enhanced electromagnetic interference (EMI) shielding properties. In this study, reduced graphene oxide/Fe<sub>3</sub>O<sub>4</sub> (RGO/Fe<sub>3</sub>O<sub>4</sub>) nanocomposites are synthesized via a one-step in-situ method. During the synthesis process, graphene oxide (GO) is reduced into reduced graphene oxide (RGO) by Fe<sup>2+</sup> ions, while Fe<sub>3</sub>O<sub>4</sub> nanoparticles are concurrently formed on the RGO surface, yielding the nanocomposite in a single reaction. Adjustments in Fe<sup>2+</sup> concentration facilitate precise control over the RGO-to-Fe<sub>3</sub>O<sub>4</sub> mass ratio, enabling tailored modulation of the EMI shielding efficacy in the resultant nanocomposites. EMI shielding is achieved through synergistic mechanisms, including superior dielectric loss properties of RGO, intrinsic magnetic loss characteristics of Fe<sub>3</sub>O<sub>4</sub> and interfacial polarization loss at the RGO-Fe<sub>3</sub>O<sub>4</sub> junction. Comparative analysis reveals optimal performance of the RGO/Fe<sub>3</sub>O<sub>4</sub> when the GO-to-FeCl<sub>2</sub>·4H<sub>2</sub>O mass ratio is set to 1:15, achieving average total shielding effectiveness (SE<sub>T</sub>) values of 89.8 dB.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100949"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Charge-size synergistic screening of GO/PSBMA nanofiltration membranes: for dye desalination and anti-fouling mechanism studies","authors":"Peng Kong, Zeshan Sun, Yibin Liang, Mingtai Xin, Haoxuan Zhang, Yu Song, Yanxin Wang, Jianguo Tang, Linjun Huang","doi":"10.1016/j.flatc.2025.100928","DOIUrl":"10.1016/j.flatc.2025.100928","url":null,"abstract":"<div><div>A novel graphene oxide (GO)-based nanofiltration membrane was engineered to tackle the selective separation challenge of dyes and inorganic salts in salt-laden textile wastewater. Highly hydrophilic sulfobetaine methacrylate (SBMA) was covalently <em>graft</em>-polymerized onto GO surfaces to fabricate amphoteric polymer nanosheets (PSBMA@GO). Subsequent physical intercalation with pristine GO nanosheets yielded the GPM1:2 composite membrane. This strategy effectively enlarged the interlayer channels, endowing the membrane with a significantly enhanced permeability of 31.53 L·m<sup>−1</sup> h<sup>−1</sup> bar<sup>−1</sup>, markedly surpassing that of the pristine GO membrane (12.26 L·m<sup>−1</sup> h<sup>−1</sup> bar<sup>−1</sup>). The zwitterionic modification preserved the inherent negative charge of GO. The synergistic interplay between membrane surface charge regulation and precise pore size control achieved exceptional dye/salt separation selectivity. Dyes were selectively rejected via the Donnan exclusion effect, with rejection rates for Methylene Blue (MnB) and Congo Red (CR) exceeding 99.47 % and 98.7 %, respectively. Concurrently, efficient permeation of mono/divalent salt ions was facilitated (NaCl: 96.83 %; Na₂SO₄: 95.8 %). Furthermore, the zwitterionic polymer conferred exceptional anti-fouling properties, evidenced by a high flux recovery rate (FRR) of 89.15 % following bovine serum albumin (BSA) fouling. The FRR remained above 80 % even after a rigorous 10-h dynamic cycling test. This study establishes a novel paradigm for designing high-efficiency dye wastewater treatment membranes through the synergistic optimization of interfacial functionalization and structural modulation.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100928"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145007647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FlatChemPub Date : 2025-11-01Epub Date: 2025-10-25DOI: 10.1016/j.flatc.2025.100958
Yulan Fang , Hong Luo , Junwei Li , Lujun Chen , Huihui Xiong
{"title":"Modulating the sensing properties of ZrS2 monolayers via transition metal decorations for selective detection of asthma biomarkers: A first-principles investigation","authors":"Yulan Fang , Hong Luo , Junwei Li , Lujun Chen , Huihui Xiong","doi":"10.1016/j.flatc.2025.100958","DOIUrl":"10.1016/j.flatc.2025.100958","url":null,"abstract":"<div><div>The development of highly sensitive and selective gas sensors for identifying two asthma biomarkers (NO and H<sub>2</sub>S) presents a significant challenge. Herein, the adsorption characteristics and sensing performance of transition metal-decorated ZrS<sub>2</sub> (TM@ZrS<sub>2</sub>, TM = Co, Ni, Pd, Pt, Rh) monolayers toward NO and H<sub>2</sub>S were systematically investigated using first-principles calculations. The results reveal that TM decoration effectively modulates the electronic structure, introducing impurity states near the Fermi level that significantly narrow the pristine band gap. Both NO and H<sub>2</sub>S molecules exhibit strong chemisorption on the TM@ZrS<sub>2</sub> surfaces, with substantial adsorption energies ranging from −0.87 eV to −2.36 eV, driven by strong orbital hybridization. These interactions are markedly stronger than those observed with common interfering gases (H<sub>2</sub>O, O<sub>2</sub>, N<sub>2</sub>, CO<sub>2</sub>, CH<sub>4</sub>), highlighting the exceptional selectivity of TM@ZrS<sub>2</sub> monolayers for the target biomarkers. Remarkably, NO adsorption on the metallic Rh@ZrS<sub>2</sub> induces a metal-to-semiconductor transition, resulting in a dramatic change in conductivity indicative of ultra-high sensitivity. In contrast, all TM@ZrS<sub>2</sub> systems are identified as promising work function-based sensors for H<sub>2</sub>S, with a significant work function decrease of up to −15.24 % upon adsorption. Comprehensive analysis reveals that Pt@ZrS<sub>2</sub> and Pd@ZrS<sub>2</sub> possess high sensitivity and excellent reusability for both NO and H<sub>2</sub>S detection. This study provides a theoretical foundation for the design of high-performance ZrS<sub>2</sub>-based sensors for non-invasive asthma diagnosis.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100958"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145413012","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FlatChemPub Date : 2025-11-01Epub Date: 2025-10-14DOI: 10.1016/j.flatc.2025.100953
Zhenli Hao , Jiaxiang Du , Zhao Wang , Long Lin , Shunwei Xu
{"title":"The adsorption behavior of toxic gases on transition metal (Mo, Nb, Sn) doped PdSe2 monolayer: A theory study","authors":"Zhenli Hao , Jiaxiang Du , Zhao Wang , Long Lin , Shunwei Xu","doi":"10.1016/j.flatc.2025.100953","DOIUrl":"10.1016/j.flatc.2025.100953","url":null,"abstract":"<div><div>Developing gas sensors that possess both high sensitivity and excellent selectivity remains a challenge. Employing first-principles computational methods, our research systematically explored the adsorption performance and gas sensing mechanism of Nb, Mo, and Sn doped PdSe<sub>2</sub> monolayer films against SO<sub>2</sub>, CO, NO<sub>2</sub>, H<sub>2</sub>S, NH<sub>3</sub>. The doping results show that the doping of Mo and Nb significantly reduces the band gap to 0.66 eV, introduces impurity states near the Fermi level, enhances conductivity and forms chemical adsorption. Among them, Mo-PdSe<sub>2</sub> had the strongest adsorption of SO<sub>2</sub> and Nb-PdSe<sub>2</sub> had the best adsorption of NO<sub>2</sub>, and there were obvious electron cloud overlap and orbital hybridization between them and gas molecules. Sn doping only slightly increased the adsorption energy, but it was still dominated by physical adsorption, and the adsorption capacity of NO<sub>2</sub> decreased. The recovery time calculation shows that Sn-PdSe<sub>2</sub> recovers faster for all kinds of gases, while the Mo/Nb doped system responds better to specific gases. This study provides a theoretical basis for the design of high-performance PdSe<sub>2</sub>-based gas-sensing devices, and reveals that doped transition metals can effectively adjust their adsorption selectivity and electronic properties.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100953"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FlatChemPub Date : 2025-11-01Epub Date: 2025-10-22DOI: 10.1016/j.flatc.2025.100957
Shulong Chen , Xijun Wang , Shengxing Wang , Huacheng Wu , Ruina Ma , An Du , Xue Zhao , Yongzhe Fan
{"title":"KH-570 Silane modification for enhanced graphene/silver nanocomposite brush plating: Process optimization and Tribo-corrosion properties","authors":"Shulong Chen , Xijun Wang , Shengxing Wang , Huacheng Wu , Ruina Ma , An Du , Xue Zhao , Yongzhe Fan","doi":"10.1016/j.flatc.2025.100957","DOIUrl":"10.1016/j.flatc.2025.100957","url":null,"abstract":"<div><div>The agglomeration of graphene in conventional silver composite plating baths significantly compromises coating homogeneity and performance. This study introduces γ-methacryloxypropyl trimethoxysilane (KH-570) as a silane coupling agent to functionalize graphene, enhancing its dispersion and interfacial adhesion with the silver matrix. Pure silve, unmodified graphene/silver (G/Ag), and KH-570-modified graphene/silver (MG/Ag) coatings were fabricated via brush plating under varying voltages (3 V, 4 V, 5 V). Systematic investigations revealed that the MG/Ag coating exhibited superior microstructural compactness, with 64% higher microhardness (HV 140) and 65% lower wear rate compared to pure Ag. Electrochemical tests in 3.5% NaCl demonstrated a one-order-of-magnitude reduction in corrosion current density (0.086 × 10<sup>−6</sup> A/cm<sup>2</sup>) for the 4 V MG/Ag coating, alongside a hydrophobic surface (contact angle: 112°) and reduced contact resistance (0.58 μΩ). The optimized voltage of 4 V facilitated refined grain structures, minimized defects, and enhanced graphene dispersion through covalent Si<img>O<img>C bonding. These improvements stem from KH-570's dual role in preventing graphene agglomeration and strengthening the Ag-graphene interface. The MG/Ag coating demonstrates exceptional wear resistance, corrosion inhibition, and electrical stability, positioning it as a robust candidate for high-voltage disconnectors in harsh outdoor environments. The concentration of KH-570 used in this study is analytical reagent (AR). This work provides a scalable, eco-friendly strategy for advancing durable electrical contact materials.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100957"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145358035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Enhanced adsorption-photocatalysis of organic pollutants using an Ag-CuBi2O4/WO3/SL-GO nanocomposite","authors":"Ohood A. Alghamdi , Yassine Slimani , Huseyin Tombuloglu , Abdelkrim Mekki , Abuzar Khan","doi":"10.1016/j.flatc.2025.100946","DOIUrl":"10.1016/j.flatc.2025.100946","url":null,"abstract":"<div><div>Water pollution poses a serious threat to ecosystems and human health, requiring effective and sustainable treatment strategies. While conventional methods often fall short, there remains a significant research gap in developing highly efficient hybrid systems that combine enhanced adsorption with potent visible light photocatalysis. Herein, we report the novel synthesis of a unique 1D/0D/2D heterostructure photocatalyst, which consists of Ag-modified CuBi<sub>2</sub>O<sub>4</sub> nanorods and WO<sub>3</sub> nanoparticles decorated on single-layer graphene oxide (SL-GO) sheets, targeting both significantly enhanced methylene blue (MB) adsorption and photodegradation. The Ag-CuBi<sub>2</sub>O<sub>4</sub>/WO<sub>3</sub>/SL-GO nanocomposite was synthesized via combined hydrothermal/ultrasonication methods. XRD, SEM, EDX, FTIR, XPS, PL, and Raman techniques confirm its successful preparation. The analyses demonstrated a substantial enhancement in MB adsorption and near-complete MB photodegradation (99.5 %) under visible light, with a notably high kinetic rate constant (0.0319 min<sup>−1</sup>). Its adsorption capacity was also 4–10 times larger than that of individual components and binary nanocomposite material. The enhanced performance is primarily ascribed to the reduced band gap, high surface area and exceptional electron conductivity of SL-GO, efficient charge separation, reduced electron-hole recombination, enhanced visible light absorption capacity, and synergistic integration of Ag-CuBi<sub>2</sub>O<sub>4</sub>/WO<sub>3</sub> and SL-GO features. In addition, the nanocomposite was non-genotoxic, which assures its safe use in environmental applications. This study presents a promising and low-energy approach for water remediation, highlighting the potential of the hybrid Ag-CuBi<sub>2</sub>O<sub>4</sub>/WO<sub>3</sub>/SL-GO photocatalyst for sustainable environmental applications and can guide future designs for the removal of diverse pollutants.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100946"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FlatChemPub Date : 2025-11-01Epub Date: 2025-09-10DOI: 10.1016/j.flatc.2025.100940
Yifei Wang , Yue Shi , Yuanyuan Yang , Ziyi Cheng , Hengbo Jia , Yaning Zhou , Le Li
{"title":"Recent advances in MXene-based materials for zinc-ion batteries","authors":"Yifei Wang , Yue Shi , Yuanyuan Yang , Ziyi Cheng , Hengbo Jia , Yaning Zhou , Le Li","doi":"10.1016/j.flatc.2025.100940","DOIUrl":"10.1016/j.flatc.2025.100940","url":null,"abstract":"<div><div>Zinc-ion batteries (ZIBs), emerging as a novel power source, boast benefits like enhanced security, affordability, and eco-friendliness. The real-world use of ZIBs faces obstacles because of the narrow electrochemical stability range, the disintegration of active electrode substances, and inadequate growth and lifespan of zinc dendrites. Owing to their unique structural characteristics as well as physical and chemical properties, including excellent electrical conductivity, adjustable interlayer spaces, low-energy barriers, rich-surface functional groups (e.g., <img>OH, <img>O, <img>Cl, and <img>F), and ample chemical compositions, MXenes-based materials can solve the above-mentioned problems of ZIBs. The paper examines the latest advancements in research on MXenes-based substances (zero dimension, one dimension, two dimension, and three dimension) in ZIBs applications, including MXene-based materials anodes, cathodes, electrolyte, separator and current collectors. Furthermore, an in-depth exploration of the structural design and reaction processes of MXene-based substances in ZIBs is conducted. Lastly, a concise discussion is presented on the current difficulties and viewpoints regarding MXene-based substances for ZIBs.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100940"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
FlatChemPub Date : 2025-11-01Epub Date: 2025-10-01DOI: 10.1016/j.flatc.2025.100945
Afsaneh Mousa Pour , Hadi Mahmoudi-Moghaddam , Zahra Garkani-Nejad
{"title":"A highly efficient DNA biosensor based on 2D-europium/MoS₂ nanocomposites for rifampicin detection","authors":"Afsaneh Mousa Pour , Hadi Mahmoudi-Moghaddam , Zahra Garkani-Nejad","doi":"10.1016/j.flatc.2025.100945","DOIUrl":"10.1016/j.flatc.2025.100945","url":null,"abstract":"<div><div>In this study, a sensitive rifampicin (RF) detection platform was established using a highly efficient electrochemical DNA biosensor. The sensing platform was constructed through the modification of a carbon paste electrode (CPE) with two-dimensional europium(III)–molybdenum disulfide nanocompsites (2D-Eu(III)/MoS₂) and immobilized double-stranded DNA. This work was designed to leverage the synergistic properties of MoS₂ nanocompsites and europium(III) to achieve enhanced electrochemical performance for drug–DNA interaction analysis. The nanomaterial was characterized using scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy-dispersive X-ray (EDX) techniques. Differential pulse voltammetry (DPV) was employed to monitor the guanine response, which decreased significantly due to the preferential binding of RF to DNA. The biosensor exhibited excellent sensitivity of 0.103 μA/μM, a limit of detection (LOD) of 38.0 nM, and a linear detection range of 0.09–65.0 μM. Successful application was demonstrated in real samples, including pharmaceutical formulations, serum, and urine. In real sample analysis, the biosensor showed recoveries of 96–104 % with relative standard deviation (RSD) below 4.0 %, demonstrating high accuracy and reliability for practical applications. The innovative aspect of this study was in the design of a 2D-Eu(III)/MoS₂-based nanoplatform that enhances DNA loading capacity and amplifies electrochemical activity, providing a superior sensing system for RF compared to previously reported sensors.</div></div>","PeriodicalId":316,"journal":{"name":"FlatChem","volume":"54 ","pages":"Article 100945"},"PeriodicalIF":6.2,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263227","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}