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Fabrication of a mesoporous CoFe2O4/rGO nanohybrid and laccase interface biosensor for rapid detection of adrenaline for neurodegenerative disease diagnosis† 用于神经退行性疾病诊断中肾上腺素快速检测的介孔CoFe2O4/氧化石墨烯纳米复合物和漆酶界面生物传感器的制备
IF 5.2
Materials Advances Pub Date : 2025-02-27 DOI: 10.1039/D4MA01216J
Rahul Verma, Surendra K. Yadav, Diksha Singh and Jay Singh
{"title":"Fabrication of a mesoporous CoFe2O4/rGO nanohybrid and laccase interface biosensor for rapid detection of adrenaline for neurodegenerative disease diagnosis†","authors":"Rahul Verma, Surendra K. Yadav, Diksha Singh and Jay Singh","doi":"10.1039/D4MA01216J","DOIUrl":"https://doi.org/10.1039/D4MA01216J","url":null,"abstract":"<p >A hydrothermally synthesized mesoporous CoFe<small><sub>2</sub></small>O<small><sub>4</sub></small> (CF)/reduced graphene oxide (rGO) nanohybrid (nh) provides the electroactive surfaces and facilitates fast electron transfer between the nanofabricated bioelectrode–electrolyte interfaces, responsible for the high electrocatalytic activity in sensing adrenaline (AD). A promising biosensor for detecting adrenaline and bovine serum albumin (BSA) used as a real sample for diagnosing neurodegenerative diseases is described here. This study focuses on the electrochemical impedance biosensing of AD because of its unique ability to identify various kinds of health issues, including blood pressure, fight-or-flight response, memory loss, multiple sclerosis, Parkinson's disease, and cardiac asthma. A La/CF/rGO/ITO bioelectrode (La: Laccase) is the biosensor component. It is created by electrophoretic deposition (EPD) of a CF/rGO nh and drop-casting immobilization of the La-enzyme. The low charge-transfer resistance (<em>R</em><small><sub>ct</sub></small>) of the CF/rGO electrode was sensed by electrochemical impedance spectroscopy (EIS), confirming the synergistic impact of CF/rGO on the La/CF/rGO/ITO fabricated bioelectrode in AD detection. This gives the high heterogeneous rate constant (<em>K</em><small><sub>s</sub></small>: 2.83 × 10<small><sup>−4</sup></small>) and increases the surface adsorption and diffusion coefficient (<em>D</em>: 5.25 × 10<small><sup>−2</sup></small> cm<small><sup>2</sup></small> s<small><sup>−1</sup></small>). The proposed biosensor exhibited high sensitivity (0.214 Ω μM<small><sup>−1</sup></small> cm<small><sup>−2</sup></small>), long linear range (1 to 500 μM), lower detection limit (LoD: 40.3 μM), high selectivity (RSD 5.8%), and stability with good recovery %, emphasizing its potential implementation in biosensing techniques for monitoring neurotransmitter disorders in real world applications.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 6","pages":" 1988-2001"},"PeriodicalIF":5.2,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01216j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Continuous flow extraction of lithium from brine using silica-coated LMO beads 用硅包覆LMO微珠连续流萃取卤水中的锂
IF 5.2
Materials Advances Pub Date : 2025-02-27 DOI: 10.1039/D4MA01100G
Jialun Su, Qiyue Fan, Xiangting Hu, Yue Sun, Jie Lin, Jiayue Xu, Bingcai Pan and Zhenda Lu
{"title":"Continuous flow extraction of lithium from brine using silica-coated LMO beads","authors":"Jialun Su, Qiyue Fan, Xiangting Hu, Yue Sun, Jie Lin, Jiayue Xu, Bingcai Pan and Zhenda Lu","doi":"10.1039/D4MA01100G","DOIUrl":"https://doi.org/10.1039/D4MA01100G","url":null,"abstract":"<p >The increasing demand for lithium-ion batteries in the electric vehicle market has intensified the demand for efficient lithium extraction from salt lake brine. This study presents a novel approach using silica-coated lithium manganese oxide (LMO) adsorbents embedded in millimeter-sized sodium alginate (SA) beads (LMO@SiO<small><sub>2</sub></small>/SA beads). By replacing expensive and environmentally detrimental tetraethyl orthosilicate (TEOS) with low-cost, eco-friendly sodium metasilicate (Na<small><sub>2</sub></small>SiO<small><sub>3</sub></small>), we have developed a more sustainable and cost-effective lithium extraction method. Continuous flow adsorption–desorption experiments demonstrated the excellent performance of the LMO@SiO<small><sub>2</sub></small>/SA beads, maintaining a lithium adsorption capacity of 6.22 mg g<small><sup>−1</sup></small> and a consistent manganese dissolution ratio of 1.26% per cycle after 50 cycles. These results highlight the potential of this approach for large-scale lithium extraction from salt lakes, providing a sustainable and economical option to support the growing electric vehicle industry.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 7","pages":" 2202-2210"},"PeriodicalIF":5.2,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01100g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Unzipped MWCNT/polypyrrole hybrid composites: a pathway to high-performance asymmetric supercapacitors† 解压缩MWCNT/聚吡咯杂化复合材料:通向高性能非对称超级电容器的途径
IF 5.2
Materials Advances Pub Date : 2025-02-25 DOI: 10.1039/D4MA01270D
Shilpa Simon, Letcy V. Theresa and Sreeja P. B.
{"title":"Unzipped MWCNT/polypyrrole hybrid composites: a pathway to high-performance asymmetric supercapacitors†","authors":"Shilpa Simon, Letcy V. Theresa and Sreeja P. B.","doi":"10.1039/D4MA01270D","DOIUrl":"https://doi.org/10.1039/D4MA01270D","url":null,"abstract":"<p >A novel method has been developed for the conversion of multi-walled carbon nanotubes (MWCNTs) into unzipped MWCNTs (UzMWCNT) using a modified Hummer's method followed by reduction. This technique allows for the controlled modification of MWCNTs in both transverse and longitudinal directions. The UzMWCNT exhibits unique structural characteristics that combine the properties of 1D nanotubes and graphene-like features. The UzMWCNT/PPy composite exhibited an impressive specific capacitance of 944 F g<small><sup>−1</sup></small> along with excellent cycling stability, retaining 92% of its capacitance after 5000 cycles. For the UzMWCNT/PPy//AC composite, the gravimetric capacitance decreased with increasing current density, from 400 F g<small><sup>−1</sup></small> at 1.0 A g<small><sup>−1</sup></small> to 162 F g<small><sup>−1</sup></small> at 2.5 A g<small><sup>−1</sup></small>. Furthermore, the UzMWCNT/PPy//AC composite demonstrated outstanding long-term durability, retaining approximately 95% of its capacitance after 5000 cycles at a current density of 5 A g<small><sup>−1</sup></small>, underscoring its excellent cycling stability. This research paves the way for the development of high-performance supercapacitor electrodes using hybrid materials derived from MWCNTs.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 6","pages":" 2002-2015"},"PeriodicalIF":5.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01270d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638069","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Application of a multifunctional liquid crystal material in colored PEDOT:PSS/Si heterojunction solar cells† 多功能液晶材料在彩色PEDOT:PSS/Si异质结太阳能电池中的应用
IF 5.2
Materials Advances Pub Date : 2025-02-25 DOI: 10.1039/D5MA00007F
Zheng Zhou, Shibo Chen, Yingming Shen, Juan Wang, Guijun Zhang, Yang Shi, Haixia Wu, Jingjing Luo, Xiaohong Cheng and Yu Yang
{"title":"Application of a multifunctional liquid crystal material in colored PEDOT:PSS/Si heterojunction solar cells†","authors":"Zheng Zhou, Shibo Chen, Yingming Shen, Juan Wang, Guijun Zhang, Yang Shi, Haixia Wu, Jingjing Luo, Xiaohong Cheng and Yu Yang","doi":"10.1039/D5MA00007F","DOIUrl":"https://doi.org/10.1039/D5MA00007F","url":null,"abstract":"<p >PEDOT:PSS/Si heterojunction solar cells (HSCs) with a simple preparation process and low production costs have attracted significant attention. The adjustable color and good stability of the devices will greatly expand their application scenarios. In this work, a liquid crystal molecule, 5,5'-bis(9-(3,4,5-tris(tetradecyloxy)benzyl)-9<em>H</em>-carbazol-3-yl)-2,2'-bithiophene (DT), was used as an additive and coating to fabricate colored and stable PEDOT:PSS/Si HSCs. The addition of DT to PEDOT:PSS films improved the conductivity of the films and the junction quality of the devices, leading to an enhanced power conversion efficiency (PCE) of 13.24% for the uncolored devices. Based on the addition of DT to PEDOT:PSS films, DT films with different thicknesses were spin-coated onto the top surface of the uncolored devices, fabricating multi-colored devices with higher PCE compared to the control devices. DT coatings could isolate air and absorb ultraviolet (UV) light, enhancing the stability of colored devices in the air and under extreme UV irradiation. In addition, it was found that DT coatings effectively prevented the poor uniformity of PEDOT:PSS films and the disrupted linear structure of PEDOT chains under UV illumination. The work provides promising strategies for the preparation of colored and stable PEDOT:PSS/Si HSCs with high efficiency.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 9","pages":" 2800-2810"},"PeriodicalIF":5.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d5ma00007f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143908475","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Orthogonal effect of pyrene–porphyrin conjugates on the detection of volatile organic compounds under UV and visible light illumination through surface photovoltage† 芘-卟啉偶联物在紫外和可见光照射下通过表面光电压†检测挥发性有机物的正交效应
IF 5.2
Materials Advances Pub Date : 2025-02-25 DOI: 10.1039/D4MA01228C
Prasanth Palanisamy, Mageshwari Anandan, Sheethal Sasi, Arbacheena Bora, Sarath Kumar Chedharla Balaji, Rence P. Reji, Yoshiyuki Kawazoe, Kommineni Kalyani, Surya Velappa Jayaraman, Yuvaraj Sivalingam and Venkatramaiah Nutalapati
{"title":"Orthogonal effect of pyrene–porphyrin conjugates on the detection of volatile organic compounds under UV and visible light illumination through surface photovoltage†","authors":"Prasanth Palanisamy, Mageshwari Anandan, Sheethal Sasi, Arbacheena Bora, Sarath Kumar Chedharla Balaji, Rence P. Reji, Yoshiyuki Kawazoe, Kommineni Kalyani, Surya Velappa Jayaraman, Yuvaraj Sivalingam and Venkatramaiah Nutalapati","doi":"10.1039/D4MA01228C","DOIUrl":"https://doi.org/10.1039/D4MA01228C","url":null,"abstract":"<p >In this work, we have developed two modular compounds featuring pyrene at the meso position of the freebase porphyrin (H<small><sub>2</sub></small>PyP) and its complex with Zn (ZnPyP). Both compounds exhibited a unique energy transfer process due to the orthogonal pyrene units, demonstrating that appreciable electronic interactions existed between the peripheral units and the porphyrin π-system. These compounds were found to behave as strong donor materials in solid-state thin films. Detailed photophysical properties and excited-state interactions in the gas phase were modulated through surface photovoltage measurements using the scanning Kelvin probe (SKP) technique. These interactions were explored towards the detection of different volatile organic compounds (VOCs) (ethanol, acetone, 1-hexanol, triethylamine, nonanal, and acetonitrile) under dark, UV and visible light illuminations. H<small><sub>2</sub></small>PyP and ZnPyP showed n-type behaviour with high selectivity towards 1-hexanol under UV light illumination, while under visible light illumination, ZnPyP exhibited n-type behaviour and H<small><sub>2</sub></small>PyP showed p-type behaviour. The response and recovery studies demonstrated that H<small><sub>2</sub></small>PyP and ZnPyP showed unprecedented selectivity towards 1-hexanol by altering their p- and n-type behaviour. H<small><sub>2</sub></small>PyP exhibited a high photovoltage response of 93% for an exposure of 17 s with a recovery rate of 23% in 5 s, while ZnPyP showed 97% in 2 s with a recovery rate of 55% in 116 s under UV light. The unique response of H<small><sub>2</sub></small>PyP and ZnPyP to 1-hexanol could be attributed to donor–donor interactions and intermolecular hydrogen bonding at the central core, as well as the variations in the energy transfer process. Furthermore, density functional theory studies revealed that the binding interactions of H<small><sub>2</sub></small>PyP and ZnPyP with VOCs showed a greater affinity for alcohol vapours compared to other compounds.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 8","pages":" 2549-2561"},"PeriodicalIF":5.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01228c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Magnetic activated carbon particles as stimuli-responsive vehicles for methotrexate† 磁性活性炭颗粒作为甲氨蝶呤刺激反应载体的研究
IF 5.2
Materials Advances Pub Date : 2025-02-25 DOI: 10.1039/D4MA01037J
J. A. Lirio Piñar, M. Lázaro, G. R. Iglesias, Tania Romacho, A. V. Delgado, Gracia García-García and S. Ahualli
{"title":"Magnetic activated carbon particles as stimuli-responsive vehicles for methotrexate†","authors":"J. A. Lirio Piñar, M. Lázaro, G. R. Iglesias, Tania Romacho, A. V. Delgado, Gracia García-García and S. Ahualli","doi":"10.1039/D4MA01037J","DOIUrl":"https://doi.org/10.1039/D4MA01037J","url":null,"abstract":"<p >This study investigates porous activated carbon (AC) particles as drug delivery vehicles for methotrexate (MTX). To enhance functionality, magnetic nanoparticles are embedded in AC imparting superparamagnetic properties (MAC composites), making them suitable for controlled transport and localization, as well as for facilitating their response to external fields. The composites are further functionalized with branched low molecular weight polyethyleneimine (PEI) to confer them a positive charge. After characterizing size, composition, and magnetic hysteresis, their potential as MTX carriers is assessed. Electrophoretic mobility and infrared data confirm the presence of magnetite, polymer, and drug molecules. Photothermal therapy (PTT) tests reveal that MAC–PEI particles produce up to 180 W g<small><sup>−1</sup></small> of specific absorption rate (SAR) under infrared laser radiation. Due to its anisotropy, rotating magnetic fields (RMF) induce particle rotation, offering another external stimulus. Biocompatibility studies with human skin M1 fibroblasts confirm no significant cytotoxicity at concentrations below 700 μg mL<small><sup>−1</sup></small>. The particles adsorb over 80% of MTX from 0.6 mM solutions, with release evaluated at pH 5.8 under PTT and RMF stimuli. Both methods significantly enhance MTX release, achieving twice the drug release compared to passive conditions, demonstrating the particles’ high potential as active vehicles for targeted MTX delivery.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 7","pages":" 2170-2179"},"PeriodicalIF":5.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01037j?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740608","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
MXene-derived potassium titanate nanoribbon-decorated electrode architecture for the detection of ciprofloxacin: development of a multipurpose sensing platform promoting One Health 用于环丙沙星检测的mxene衍生钛酸钾纳米带修饰电极结构:促进One Health的多用途传感平台的开发
IF 5.2
Materials Advances Pub Date : 2025-02-24 DOI: 10.1039/D4MA01245C
Arghya Chakravorty, Sudip Das, Aarcha Appu Mini, Shikha Awasthi, Sarvesh Kumar Pandey and Vimala Raghavan
{"title":"MXene-derived potassium titanate nanoribbon-decorated electrode architecture for the detection of ciprofloxacin: development of a multipurpose sensing platform promoting One Health","authors":"Arghya Chakravorty, Sudip Das, Aarcha Appu Mini, Shikha Awasthi, Sarvesh Kumar Pandey and Vimala Raghavan","doi":"10.1039/D4MA01245C","DOIUrl":"https://doi.org/10.1039/D4MA01245C","url":null,"abstract":"<p >Recent studies have highlighted the promise of MXene-derived titanate nanoribbons (KTNR) as electrode materials for electrochemical sensing applications. This work investigates the electrochemical activity of potassium titanate nanoribbons synthesized from MXene for the development of a voltammetric sensor for ciprofloxacin detection. The sensor offers a sustainable approach for ciprofloxacin quantification, addressing critical needs in food safety, environmental monitoring, and healthcare diagnostics, ultimately contributing to the United Nations’ Sustainable Development Goals by mitigating antimicrobial resistance and supporting the One Health initiative. To initiate the experiments, the structural, stability/energetics, and electronic features of two dimer complexes, KTNR/ciprofloxacin and MXene/ciprofloxacin, had been computationally inspected using two <em>in silico</em> tools, and some important electronic parameters such as binding energy, HOMO–LUMO gap and dipole moment showed that the former one (KTNRs) was significantly more sensitive than the MXene with ciprofloxacin. 2D Ti<small><sub>3</sub></small>C<small><sub>2</sub></small> MXene served as the precursor for the synthesis of potassium titanate nanoribbons. X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), high-resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), elemental mapping, and energy-dispersive X-ray spectroscopy (EDX) techniques were employed to confirm the crystallinity, surface morphology, and layered structure of the synthesized nanoribbons. Atomic force microscopy (AFM), contact angle measurement and surface profilometry were used to characterize the fabricated electrode surface. The electrochemical and sensing properties of the materials were further evaluated using cyclic voltammetry (CV), differential pulse voltammetry (DPV), and electrochemical impedance spectroscopy (EIS). Subsequently, the nanoribbons were deposited onto a glassy carbon electrode (GCE) surface. The electro-oxidation behaviour of ciprofloxacin was then investigated using CV, DPV, and square wave voltammetry (SWV) in an optimized 0.1 M phosphate buffer solution (pH 8). The developed sensor exhibited a remarkable linear detection range of 0.6 μM (≈0.03 μg mL<small><sup>−1</sup></small>) to 147.2 μM (≈7.18 μg mL<small><sup>−1</sup></small>) for ciprofloxacin. Additionally, the limit of detection (LOD) achieved was 0.07, 0.0608, and 0.0264 μM for CV, DPV, and SWV, respectively. Notably, the electrodes demonstrated excellent selectivity towards ciprofloxacin detection in complex matrices, including marine water, river water, agricultural soil, organic fertilizer, milk, honey, poultry eggs, and simulated body fluids.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 6","pages":" 2090-2109"},"PeriodicalIF":5.2,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01245c?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Microwave-assisted intercalation: exploring electronic and structural features of metastable MMo6S8 (M = Ag, Sn)† 微波辅助插层:探讨亚稳MMo6S8 (M = Ag, Sn)†的电子和结构特征
IF 5.2
Materials Advances Pub Date : 2025-02-21 DOI: 10.1039/D4MA01090F
Rose E. Smiley, Konstantina G. Mason, Rose A. Lam, Alice Giem, Daniella Ingargiola, Brian A. Wuille Bille, David Prendergast and Jesús M. Velázquez
{"title":"Microwave-assisted intercalation: exploring electronic and structural features of metastable MMo6S8 (M = Ag, Sn)†","authors":"Rose E. Smiley, Konstantina G. Mason, Rose A. Lam, Alice Giem, Daniella Ingargiola, Brian A. Wuille Bille, David Prendergast and Jesús M. Velázquez","doi":"10.1039/D4MA01090F","DOIUrl":"https://doi.org/10.1039/D4MA01090F","url":null,"abstract":"<p >Presented in this work is a synthetic approach for metastable Type I Chevrel phase sulfides, MMo<small><sub>6</sub></small>S<small><sub>8</sub></small> (M = Ag, Sn), utilizing rapid microwave-assisted medium temperature intercalation. Using X-ray absorption spectroscopy the electronic structure and local coordination of sulfur and molybdenum bonding environments are probed as a function of a Type I metal intercalant. Intercalant promoter-induced electron donation effects were observed through analysis of the sulfur K-edge pre-edge feature and Mo L<small><sub>3</sub></small>-edge in the X-ray absorption near edge regions. Calculated electron density maps reveal more covalent interactions between Ag and S atoms <em>versus</em> more ionic interactions between Sn and S. Changes in the Chevrel phase structure upon intercalation are investigated through Mo K-edge extended X-ray absorption fine structure analysis. Evaluation of Mo–Mo intracluster distances allows the cluster anisotropy of Type I CPs to be calculated as low as 1.84%. These findings help elucidate how electronic and local structures can be modulated through intercalation and the importance of cation identity to fine tune structures.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 6","pages":" 2048-2055"},"PeriodicalIF":5.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01090f?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143638093","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Computational design of Bax-inhibiting peptides† bax抑制肽的计算设计
IF 5.2
Materials Advances Pub Date : 2025-02-20 DOI: 10.1039/D4MA01142B
Tom Vlaar, Bernadette Mayer, Lars van der Heide and Ioana M. Ilie
{"title":"Computational design of Bax-inhibiting peptides†","authors":"Tom Vlaar, Bernadette Mayer, Lars van der Heide and Ioana M. Ilie","doi":"10.1039/D4MA01142B","DOIUrl":"https://doi.org/10.1039/D4MA01142B","url":null,"abstract":"<p >The proteins of the Bcl-2 family play crucial roles in regulating apoptosis. It is divided into pro-survival and pro-apoptotic proteins that determine cellular fate. In particular, Bax is a crucial executor of apoptosis as its activation initiates the apoptotic phenotype. Hence, targeting this protein represents an attractive therapeutic approach, which can aid in regulating apoptotic signalling and potentially contribute to the development of novel therapies against cancer and neurodegenerative diseases. Here, we introduce a digital paradigm, which relies on rational design and computer simulations to develop and validate peptide-based agents that bind to Bax, thereby inhibiting its apoptotic properties. The peptides are rationally designed and optimized to bind to Bax starting from the crystal structures of affimers in a complex with Bcl-2 proteins. Next, molecular dynamics (MD) simulations are employed to probe the stability of the Bax–peptide complexes and to estimate the binding free energies. The results show that the designed peptides bind with high affinity to Bax. Two of the designed peptides bind in the canonical hydrophobic groove (BH1 domain) of Bax and one peptide binds to the outside of the BH3 domain (α<small><sub>2</sub></small>-helix). Notably, the peptides restrict the flexibility of the α<small><sub>1</sub></small>–α<small><sub>2</sub></small> loop, modulating the trigger bottom site associated with toxicity. All in all, the results highlight the potential of these peptides as valuable tools for further exploration in modulating apoptotic pathways and set the structural foundation for a machine learning powered engine for peptide design.</p>","PeriodicalId":18242,"journal":{"name":"Materials Advances","volume":" 7","pages":" 2160-2169"},"PeriodicalIF":5.2,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2025/ma/d4ma01142b?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143740607","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
One step gamma-ray induced crosslinking and sterilization of electrospun poly(ε-caprolactone)/collagen composite scaffolds 电纺聚(ε-己内酯)/胶原复合支架的一步γ射线诱导交联及灭菌
IF 5.2
Materials Advances Pub Date : 2025-02-19 DOI: 10.1039/D4MA01046A
Jin-Oh Jeong, Sung In Jeong, Jong-Seok Park, Young Min Ju, Sang Jin Lee and Youn-Mook Lim
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