jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Fei-Xiang Tian | Yuan Gao | Liuqingqing Yang | Yulian He
Source: Carbon Neutrality (article, 2025-12-01)
Field: Materials Science — Materials Chemistry

Unveiling the gas-dependent active site evolutions on CuOx/CeO2 catalysts for CO oxidation Abstract Tailoring interfacial structures in CuO x /CeO 2 catalysts via pretreatment atmosphere significantly modulates their CO oxidation performance. Catalysts were pretreated under oxidation (CuCe-Oxi), reaction (CuCe-Rex), and reduction (CuCe-Red) atmospheres. CuCe-Red exhibits superior activity, achieving 66% CO conversion at 70 °C, markedly higher than CuCe-Rex (45%) and CuCe-Oxi (33%). Crucially, the intrinsic activity (TOF) of CuCe-Red is double that of the others, directly linked to distinct interfacial site structures induced by pretreatment. In-situ spectroscopy and temperature-programmed techniques reveal that reductive pretreatment generates key active sites: low-coordinated Cu + sites and strongly interacting [Cu m+ -O x -Ce n+ ] interfacial species (including Cu 2+ -O L -Ce 4+ and asymmetric oxygen vacancy Cu + -O v -Ce 3+ configurations). The proportion of these specific sites correlates positively with TOF. The low-coordinated Cu + sites substantially enhance CO surface coverage and improve CO activation. Systematic kinetic analysis, O 2 -TPO, and CO-TPD confirm the reaction follows the Mars-van Krevelen mechanism. CO surface activation is identified as the rate-determining step (RDS). Therefore, this study demonstrates that targeted manipulation of the catalyst's interfacial microenvironment through pretreatment atmosphere controls the formation of highly active low-coordinated Cu + and specific [Cu m+ -O x -Ce n+ ] species. This structural evolution directly governs CO adsorption, activation, and ultimately, catalytic performance, providing deep insights into the structure–activity relationship for CuO x /CeO 2 oxidation catalysts. Graphical Abstract Catalysis ; Active site ; Redox ; Oxygen ; Vacancy defect ; Atmosphere (unit) ; Active oxygen ; Metal Catalytic Processes in Materials Science ; Copper-based nanomaterials and applications ; Catalysts for Methane Reforming
Authors: Mohamed S. Attia | Mahmoud Basseem I. Mohamed | M.A. Hegazy | Mohamed Mohamady Ghobashy | H. Abd El‐Wahab | Farag Abdelhai
Source: Scientific Reports (article, 2025-05-14)
Field: Materials Science — Materials Chemistry

Enhancing corrosion resistance with chemically modified aluminum oxide in UV-curable coatings applied to steel surfaces This study introduces a novel, environmentally sustainable epoxidized soybean oil acrylate (ESOA) nanocomposite coating containing nAl<sub>2</sub>O<sub>3</sub>-silane nanoparticles (ESOA@TMPTA-nAl<sub>2</sub>O<sub>3</sub>-Silane), which was fabricated using ultraviolet (UV) curing technology. As far as we know, this is the first study to incorporate aluminum oxide nanoparticles (nAl<sub>2</sub>O<sub>3</sub>) modified through covalent bonding with a reactive diluent monomer, tripropylene glycol diacrylate (TPGDA), and a coupling agent to enhance their dispersibility and interaction within the polymer matrix. Comprehensive characterization techniques, including Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), atomic force microscopy (AFM), X-ray diffraction (XRD), UV-spectroscopy, energy-dispersive X-ray spectroscopy (EDX), and transmission electron microscopy (TEM), confirmed the nanocomposite's structural and polymer morphological enhancements. Electrochemical impedance spectroscopy (EIS) demonstrated a substantial increase in polarization resistance (R<sub>p</sub>), rising from 25.6 kΩ cm<sup>2</sup> for the unmodified polymer to 288.7 kΩ cm<sup>2</sup> upon the incorporation of (8 wt%) nAl<sub>2</sub>O<sub>3</sub>-Silane. In a similar vein, Potentiodynamic polarization (PDP) exhibited a significant decrease in corrosion current density (i<sub>corr</sub>), diminishing from 0.82 to 0.059 µA/cm<sup>2</sup>, thereby achieving an inhibition efficiency exceeding 99%. Additionally, the salt spray test data showed a considerable improvement in the rust degree from 3 to 8G under identical conditions. The data demonstrates the outstanding corrosion resistance characteristics that the nAl<sub>2</sub>O<sub>3</sub>-Silane nanoparticles provided when coupled with the steel substrate. This improvement is attributed to the excellent dispersion, excellent barrier properties, transparency of the resulting coatings and strong adhesion of nAl<sub>2</sub>O<sub>3</sub>-Silane dispersed in the polymer matrix. Materials science ; Silane ; Dielectric spectroscopy ; Fourier transform infrared spectroscopy ; Corrosion ; Chemical engineering ; Nanocomposite ; Scanning electron microscope ; Polymer ; Polymer nanocomposite ; Nuclear chemistry ; Composite material ; Electrochemistry ; Chemistry Corrosion Behavior and Inhibition ; Polymer composites and self-healing ; Polymer Nanocomposites and Properties
Authors: Margherita Porru | Francesca Brero | Carlos Díaz‐Ufano | Manuel Mariani | Francesco Orsini | Paolo Arosio | M. P. Morales | Alessandro Lascialfari
Source: Dalton Transactions (article, 2025-01-01)
Field: Materials Science — Biomaterials

Iron oxide nanospheres: dual functionality as MRI contrast agents and magnetic fluid hyperthermia therapeutics Magnetic nanoparticles offer the possibility of combining diagnostic and therapeutic purposes within a single nano-object. In this work, we explore two distinct sets of iron oxide-based nanospheres for their application as contrast agents in magnetic resonance imaging and as heating mediators in magnetic fluid hyperthermia. The nanoparticles were produced with the <i>green</i> microwave polyol-assisted method. The nanoparticles in the first set have a mean core diameter of 11 nm and are coated with polyacrylic acid (PAA), carboxymethyl-dextran (CM-D), or dimercaptosuccinic acid (DMSA). The second set has nanoparticles of a mean diameter of 14 nm, which are coated with PAA or CM-D. The longitudinal and transverse <sup>1</sup>H-NMR nuclear relaxivities (<i>r</i><sub>1,2</sub>) exhibit a field behavior that depends on the particle core size and on the coating. It is shown that the combination of size and coating is relevant to optimize the relaxometric efficiency, with the PAA coating being able to double the <i>r</i><sub>2</sub> efficiency for the smallest size. The heating release was evaluated under various combinations of external alternating magnetic fields, with frequency values ranging from 102.2 kHz to 971.2 kHz and amplitude values ranging from 7 mT to 40 mT. The results indicate that the heating efficiency is independent of the coating for both the 11 and 14 nm particles, while it is significantly higher for the samples of largest size. We conclude that the combination of size and coating (<i>i.e.</i>, surface modifications) of the magnetic nanoparticles can play a crucial role in the relaxometric and heating properties of magnetic nanoparticles with core size of <15 nm. Magnetic resonance imaging ; Hyperthermia ; Magnetic nanoparticles ; Nanoparticle ; Contrast (vision) ; Materials science ; Contrast enhancement ; Nuclear magnetic resonance ; Iron oxide ; Nanotechnology ; Magnetic hyperthermia ; Dual (grammatical number) ; Iron oxide nanoparticles ; Ferrofluid ; Biomedical engineering ; Radiology ; Medicine ; Magnetic field ; Computer science ; Physics ; Internal medicine ; Metallurgy Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Iron oxide chemistry and applications
Authors: Alexandre Chícharo | Alexandra Teixeira | Diogo Rodrigo Magalhães Moreira | Maria S. Relvas | Marta Aranda Palomer | Temple A. Douglas | Jérôme Borme | Jana B. Nieder | Lorena Diéguez | Sara Abalde‐Cela
Source: Advanced Optical Materials (article, 2025-08-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Precision‐Engineered Plasmonic Nanostar Arrays for High‐Performance SERS Sensing Abstract Surface‐enhanced Raman scattering (SERS) spectroscopy has emerged as a powerful tool for ultrasensitive and rapid analysis, with applications across several fields. The core mechanism of SERS is the interaction between molecules and plasmonic nanostructures, where localized surface plasmon resonances induce strong electromagnetic fields resulting in remarkable enhancements of Raman signals. The effectiveness of SERS substrates depends on their ability to generate strong electromagnetic fields at nanoscale hot spots, but achieving both reliable enhancement and reproducibility remains a challenge. This work presents a novel SERS substrate that combines a top‐down fabrication approach with bottom‐up wet chemistry to obtain an array of nanostars. Using electron beam lithography (EBL), uniform nanodisk arrays are first created, providing a controlled template. A subsequent chemical transformation reshapes these structures into nanostars, introducing sharp protrusions that significantly intensify localized electromagnetic fields. Finite‐difference time‐domain (FDTD) shows that nanodisks produce weak, symmetric field enhancements, while nanostars generate intense, highly localized electric fields at their spikes. Experimental SERS measurements using 1‐naphthalenethiol (1‐NAT), and tryptophan validate this transformation, demonstrating notable signal amplification with nanostar substrates. This work introduces a scalable and reproducible fabrication method for high‐performance plasmonic SERS substrates, paving the way for a wide range of applications in distinct fields. Materials science ; Plasmon ; Nanotechnology ; Optoelectronics Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Advanced biosensing and bioanalysis techniques
Authors: Mathilde Seinfeld | Jean Rouillon | Raphaël Rullan | Erwann Jeanneau | Stephan N. Steinmann | Chantal Andraud | Tangui Le Bahers | Cyrille Monnereau
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence While nowadays ubiquitous in a variety of optoelectronic applications, fluorophores displaying aggregation induced emission (AIE) and in particular those constructed around the tetraphenylethylene (TPE) core suffer severe limitations. In particular, it has been reported in many instances that stereoconfiguration around the central double bond may severely impact the solid-state luminescence properties (maximal emission wavelength and fluorescence quantum yield). Stereoselective synthesis of extended TPE cores remains challenging, and separation of diastereoisomer mixtures is generally tedious. In this paper, we introduce ditriazolostilbene moities (DTS) as an alternative to TPE. DTS offers two significant advantages over its TPE counterpart: firstly, a fully stereoselective synthesis of the (<i>E</i>)-isomer, and secondly, the use of a copper-catalyzed azide-alkyne cycloaddition (CuAAc) reaction in the final step, which simplifies access to novel derivatives. We illustrate the benefits of this approach using stereopure and (<i>E</i>) and (<i>Z</i>)-aggregates, powders and crystals of the molecule and show that emission properties are considerably dependent on their stereoconfiguration. Tetraphenylethylene ; Luminescence ; Aggregation-induced emission ; Solid-state ; Stereoselectivity ; Core (optical fiber) ; Chemistry ; Materials science ; Combinatorial chemistry ; Photochemistry ; Nanotechnology ; Optoelectronics ; Fluorescence ; Organic chemistry ; Physics ; Physical chemistry ; Optics Luminescence and Fluorescent Materials ; Catalytic Cross-Coupling Reactions ; Fluorine in Organic Chemistry
Authors: Rakshantha Srithar | Jayashree Venkatesh | Jegadheeshwari Saravanan | M. Kesavan | Susnata Pramanik
Source: ChemPhotoChem (article, 2025-06-02)
Field: Materials Science — Materials Chemistry

Breaking of Kasha's Rule: Excitation Wavelength‐Dependent Emission from Acenaphthylene‐Based Hydrazones and their Biological Studies Achieving multicolor emissions from a single molecule has been an active field of research, particularly in developing organic light‐emitting diodes. Reported herein is acenaphthylenedione ( AcD ), which displays multiple colors as a function of excitation wavelengths. Experimental and theoretical data reveal that the latter emits strongly from S 3 and weakly from S 2 , while S 1 remains as a dark state, thus violating Kasha's rule. The calculated large energy difference between S 2 and S 3 (i.e., 1.00 eV) promotes radiative decay from S 3 rather than internal conversion (IC) to S 1 . Hydrazones derived from the same also possess excitation wavelength‐dependent emission. Time‐dependent density functional theory (TDDFT) calculations reveal that the longer wavelength emission can be assigned to enol ‐form, produced through excited‐state intramolecular proton transfer (ESIPT) and locally excited (LE) keto ‐form, while that of the shorter wavelength to LE S 2 , thus disobeying Kasha's rule. The calculated energy difference (Δ E S1‐S2 ) is found to be 0.64 eV, which reduces the rate of IC (i.e., S 2 → S 1 ), resulting in the emission from the higher excited state. N‐methylated hydrazone, which blocks the ESIPT channel, also supports the hypothesis. Furthermore, all the compounds exhibit aggregation‐induced emission behavior, and nitro‐ and cyano‐substituted hydrazones are found as good candidates for antibacterial, antioxidant, and anticancer activities. Acenaphthylene ; Excitation ; Excitation wavelength ; Wavelength ; Photochemistry ; Physics ; Chemistry ; Organic chemistry ; Optics ; Quantum mechanics Luminescence and Fluorescent Materials ; Photoreceptor and optogenetics research ; Molecular Sensors and Ion Detection
Authors: Manzoor Ahmad | Andrew Docker | Matthew J. Langton
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Spectroscopy

Resonsive anion transport with a Hamilton receptor-based anionophore controlled by photo-activation and host–guest competitive inhibition Ion transport across biological membranes, facilitated by naturally occurring ion channels and pumps, is crucial for many biological functions. Many of these transport systems are gated, such that ion transport is regulated by a range of external stimuli, including light, small molecule ligand binding, and membrane potential. Synthetic ion transport systems, including those with similar gating mechanisms, have garnered significant attention due to their potential applications in targeted therapeutics as anticancer agents or to treat channelopathies. In this work, we report stimuli-responsive anion transporters based on dynamic hydrogen bonding interactions of hydroxyl-functionalised Hamilton-receptor-based anionophores. Caging of the hydroxyl groups with a light-responsive <i>ortho</i>-nitrobenzyl (ONB) moiety locks the amide protons through intramolecular hydrogen bonding, making them unavailable for anion binding and transport. Decaging with light reverses the hydrogen bonding pattern, rendering the amide protons available for anion binding and transport. Addition of a barbiturate ligand switches OFF the ion transport activity by blocking the anion binding cavity through competitive inhibition. OFF-ON-OFF reversible control over anion transport is therefore achieved using a combination of light and competitive small molecular ligand binding. Host (biology) ; Chemistry ; Receptor ; Ion ; Biology ; Biochemistry ; Ecology ; Organic chemistry Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry
Authors: M. Arslan Çarpan | S.R. Tokgöz | Şebnem Düzyer Gebizli | Ahmet Peksöz
Source: Journal of Materials Science Materials in Electronics (article, 2025-02-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis and properties of carbon black (CB)-added polyacrylonitrile (PAN)/nickel foam (NF) flexible electrodes by electrospinning, and their supercapacitive performance Abstract This research study presents the successful preparation of polyacrylonitrile/nickel foam (PAN/NF) and carbon black (CB)-added polyacrylonitrile/nickel foam (CB:PAN/NF) electrodes using an electrospinning method, along with a comprehensive discussion of their remarkable supercapacitive performances. Scanning electron microscope (SEM) investigations demonstrate a robust adhesion between polyacrylonitrile fibers and nickel foam, attributable to the application of an annealing process. Energy dispersive X-ray spectrometry (EDS) studies validate the elemental composition of the electrodes. To further characterize the structural properties, additional analyses are conducted utilizing X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FTIR), and Raman spectroscopy. Structural characterizations indicate that both the incorporation of carbon black and the carbonization process yield beneficial contributions to the overall material properties. Thermogravimetric analysis (TGA) and differential thermal analysis (DTA) are employed to evaluate the thermal stability of the electrodes. Electrochemical investigations are performed using various techniques such as cyclic voltammetry (CV), galvanostatic charge–discharge (GCD), electrochemical impedance spectroscopy (EIS), and Mott-Schottky (MS), all in a 1 M aqueous KOH solution. The addition of carbon black (CB) significantly improves the performance of the PAN/NF electrode, increasing the specific capacitance from 76.5 to 226.9 F g −1 . This study also examines the reaction kinetics that characterize the energy storage mechanisms of the electrodes. The enhancement of the electroactive surface area in PAN/NF due to CB loading is also confirmed by EIS analysis. In the existing literature, many studies focus on the direct use of PAN and its derivatives as electrode materials. However, this study is the first to investigate the energy storage capabilities of PAN in combination with a current collector, specifically nickel foam (NF). The results of this study provide strong evidence for CB:PAN/NF as a promising electrode material in flexible supercapacitors. Polyacrylonitrile ; Materials science ; Electrospinning ; Nickel ; Carbon black ; Electrode ; Composite material ; Carbon fibers ; Chemical engineering ; Polymer ; Metallurgy ; Composite number ; Natural rubber Supercapacitor Materials and Fabrication ; Electrospun Nanofibers in Biomedical Applications ; Conducting polymers and applications
Authors: Mehriban Emek | Ethem İlhan Şahin | Jamal Eldin F. M. Ibrahim
Source: Materials (article, 2025-02-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Production and Shielding Effectiveness Features of Chopped Strands Backed-GdMnO3 Composites for 6.5–17.5 GHz Applications This research investigates the synthesis and characterization of GdMnO<sub>3</sub>/chopped strands composites using the conventional oxide mixing technique. A single-phase GdMnO<sub>3</sub> compound was successfully formed through sintering at 1350 °C for 20 h. Structural analysis using X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS) confirmed phase purity and uniform grain morphology. The microwave shielding effectiveness of GdMnO<sub>3</sub>/chopped strands composites was evaluated within the 6.5-17.5 GHz frequency range using a network analyzer (NA). The GdMnO<sub>3</sub>/chopped strands composite with a 60-40% weight ratio exhibited superior shielding performance, achieving a minimum shielding effectiveness of -35.61 dB at 6.9 GHz, while the 80-20% composite reached -32.54 dB at 16.74 GHz. Both compositions demonstrated shielding effect values below -10 dB across wide frequency bands, with significant attenuation below -20 dB at various GHz ranges. The study demonstrates that by adjusting the content of the components in the samples, the microwave shielding effect performance of the GdMnO<sub>3</sub>/chopped strands composites can be easily controlled to meet the requirements of specific frequency bands. These findings highlight the potential of GdMnO<sub>3</sub>-based composites for tailored microwave shielding applications, particularly in the military, aerospace, and telecommunication industries. Electromagnetic shielding ; Composite material ; Materials science Electromagnetic wave absorption materials ; Microwave Dielectric Ceramics Synthesis ; Advanced Antenna and Metasurface Technologies
Authors: Peter Schyra | Dilbar Aibibu | Bernd Sundag | Chokri Cherif
Source: Biomimetics (review, 2025-10-15)
Field: Materials Science — Biomaterials

Chemical Crosslinking of Acid Soluble Collagen Fibres Collagen, as the predominant structural protein in vertebrates, represents a promising biomimetic material for scaffold development. Fibre-based scaffolds produced through textile technologies enable precise modulation of structural characteristics to closely mimic the extracellular matrix architecture using wet-spun collagen fibres. However, this in vitro fibre formation lacks natural crosslinking, resulting in collagen fibres with compromised mechanical strength, enzymatic resistance, and thermal stability compared to their native counterparts, thus restricting their biomedical applicability. Post-fabrication crosslinking is therefore imperative to enhance the durability and functional performance of collagen fibre-based scaffolds. Although traditional crosslinkers like glutaraldehyde effectively improve mechanical strength and stability, their clinical utility is hindered by cytotoxicity and associated adverse biological responses. Alternative synthetic crosslinking agents, such as hexamethylene diisocyanate, 1-Ethyl-3-(3'-dimethyl amino propyl) carbodiimide, and 1,4-Butanediol diglycidyl ether, have demonstrated superior cytocompatibility while effectively improving collagen fibre properties. Nonetheless, synthetic compounds may induce more pronounced foreign body reaction than natural agents, necessitating further investigation into their cytocompatibility across varying concentrations. In contrast, plant-based crosslinking offers a promising, cytocompatible alternative, significantly enhancing the thermal and mechanical stability of collagen fibres, provided that potential fibre discolouration is acceptable for intended biomedical applications. Glutaraldehyde ; Ultimate tensile strength ; Mechanical strength ; Thermal stability ; Scaffold ; Extracellular matrix ; Polymer ; Cytotoxicity Collagen: Extraction and Characterization ; Bone Tissue Engineering Materials ; Silk-based biomaterials and applications