jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Y. A. Khvashchevskaya | A. A. Lobinsky | E. M. Khairullina | A. K. Bachina | I. P. Prosvirin | R. Sh. Abiev | V. I. Popkov
Source: Journal of Sol-Gel Science and Technology (article, 2026-03-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synthesis of nanostructured manganese (hydro)oxides in microreactor with intensive counter-current swirling flows for high-performance pseudocapacitive electrodes Abstract Efficient and scalable synthesis of nanostructured pseudocapacitive materials is crucial for the development of high-performance energy storage systems. In this work, manganese (hydro)oxides were synthesized using a continuous-flow microreactor equipped with intensive counter-current swirling flows, ensuring enhanced micromixing and precise control over reaction kinetics. By varying the reagent flow rates (1.5, 2.2, and 3.0 L/min), the phase composition, crystallinity, and porosity of the resulting materials were effectively tuned. Powder X-ray diffraction, Raman spectroscopy, and EDX analysis revealed a phase evolution from Mn(OH) 2 and MnOOH at lower flow regimes to highly crystalline Mn 3 O 4 spinel at 3.0 L/min. SEM and BET analysis confirmed the formation of layered mesoporous structures with surface areas up to 120 m 2 /g. Electrochemical characterization in 1 M Na 2 SO 4 demonstrated a strong correlation between synthesis conditions and capacitive performance. The best-performing electrode (MR-3.0) exhibited a specific capacitance of 200 F/g at 5 A/g, low charge-transfer resistance, and ideal capacitive behavior. These enhancements are attributed to optimized ion transport and enhanced accessible surface area resulting from flow-assisted synthesis. Overall, the results highlight the potential of swirling-flow microreactors as a robust platform for producing advanced pseudocapacitive materials with tunable properties, suitable for next-generation supercapacitor electrodes in hybrid energy storage systems. Microreactor ; Supercapacitor ; Electrode ; Mesoporous material ; Pseudocapacitor ; Capacitance ; Electrochemistry ; Manganese ; Reagent Supercapacitor Materials and Fabrication ; Catalytic Processes in Materials Science ; Magnesium Oxide Properties and Applications
Authors: Monika Moond | Sushila Singh | Seema Sangwan | Sachin Kumari
Source: Discover Nano (article, 2026-04-03)
Field: Materials Science — Materials Chemistry

Green one pot synthesis of silver nanoparticles for antioxidant and antimicrobial activities Trigonella foenum-graceum L. (variety HM 444) seeds are an excellent source of phenolics, flavonoids, and sugars, which serve as reducing, stabilizing, and capping agents for the reduction of silver ions to AgNPs. Various phytochemicals such as total phenolic content (5.37 ± 0.14 mg GAE/g), total flavonoids (1.43 ± 0.03 mg CE/g), total sugars (41.44 ± 0.61 mg/g), reducing sugars (0.73 ± 0.02 mg/g) and non- reducing sugars (40.71 ± 0.58 mg/g) were reported in aqueous seed extract. Their ability to mediate AgNPs biosynthesis was evaluated. The synthesized AgNPs were characterized by UV-Vis spectroscopy, particle size analyser, XRD, FESEM-EDX, HRTEM, SAED and FT-IR Spectroscopy. The average size of the AgNPs was 27 nm and they were spherical in shape. The AgNPs showed better 2,2-diphenyl-1-picrylhydrazyl (DPPH) free radical scavenging activity with a lower IC<sub>50</sub> = 620.00 µg/mL as compared the aqueous seed extract (IC<sub>50</sub> = 623.33 µg/mL). AgNPs exhibited significant antimicrobial activity against Staphylococcus aureus, Xanthomonas spp., Macrophomina phaseolina and Fusarium oxysporum compared to the aqueous seed extract. According to this study, AgNPs may be a contender for various biological, nutraceutical, and sustainable antimicrobial food packaging applications. Antimicrobial ; Silver nanoparticle ; Fusarium oxysporum ; Aqueous solution ; Antioxidant ; Silver nitrate ; One-pot synthesis Nanoparticles: synthesis and applications ; Nanocomposite Films for Food Packaging ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Qixiang Zhang | Zhen Li | Ben Niu | Qing Wang | Chuang Dong | Zhongwei Zhang
Source: Journal of Materials Informatics (article, 2026-04-13)
Field: Materials Science — Ceramics and Composites

Cluster-model-embedded first-principles study of thermodynamic stability and elastic properties in (Zr, Ti)C&lt;sub&gt;x&lt;/sub&gt; carbides Multi-component carbide ceramics have garnered significant attention as ultra-high-temperature structural materials due to their exceptionally high melting points and excellent mechanical properties. In this work, we systematically investigate the synergistic effects of C vacancies and Ti alloying on the thermodynamic stability and elastic behavior of (Zr, Ti)C&lt;sub&gt;x&lt;/sub&gt; carbides using first-principles calculations. Specific cluster structural models of [C-M&lt;sub&gt;6&lt;/sub&gt;](C,□)&lt;sub&gt;5&lt;/sub&gt; (M = Zr/Ti, □ = vacancy) were constructed by considering the local chemical short-range orders of elemental distribution and the ordering of vacancies on C sublattice, which were then employed as inputs for first-principles calculations. The results reveal that the introduction of C vacancies decreases the free energy at high temperatures and enhances the thermodynamic stability, whereas Ti substitution for Zr tends to reduce stability. Notably, the ternary carbide Zr&lt;sub&gt;5&lt;/sub&gt;Ti&lt;sub&gt;1&lt;/sub&gt;C&lt;sub&gt;5&lt;/sub&gt; ([C-Zr&lt;sub&gt;5&lt;/sub&gt;Ti&lt;sub&gt;1&lt;/sub&gt;](C,□)&lt;sub&gt;5&lt;/sub&gt;) with an equimolar ratio of Ti-to-vacancy exhibits superior high-temperature thermodynamic stability. Analysis of entropy contributions indicates that both vacancies and Ti addition primarily alter the free energy by modifying the lattice vibration modes, an effect dominated by the vibrational entropy. These two types of defects weaken the M-C bond strength, resulting in reduced binding energy and Young’s modulus. Furthermore, this synergistic effect considerably lowers the critical temperature required to stabilize the single-phase solid solution structure in multi-component carbides, which is attributed to a decrease in mixing enthalpy and an increase in configurational entropy caused by vacancies. The cluster-model-embedded first-principles approach offers valuable insight for designing high-performance carbides in complex ceramic systems. Carbide ; Chemical stability ; Enthalpy ; Ternary operation ; Structural stability ; Solid solution ; Configuration entropy ; Ceramic ; Cluster expansion ; Entropy (arrow of time) Advanced ceramic materials synthesis ; Boron and Carbon Nanomaterials Research ; Advanced materials and composites
Authors: Natalija Trunkelj | Andrej Emanuel Cotman | Ivan Džajić | J. Repas | Maša Kandušer | Irena Mlinarič Raščan | Araceli Sánchez | Mišo Mitkovski | Tihomir Tomašič | Luis A. Pardo | Stane Pajk | Lucija Peterlin Mašič
Source: ChemRxiv (article, 2026-03-25)
Field: Chemistry — Spectroscopy

Organelle-targeting large-Stokes-shift fluorescent probes for confocal, fluorescence-lifetime and 2-photon excitation microscopy applications Subcellular multiplex imaging is fundamentally limited by spectral crowding, restricted photostability, and the modality-specific performance of conventional fluorophores, which constrain the simultaneous visualization of multiple organelles in living cells. Here, we report a modular class of organelle-targeting, coumarin-based fluorescent probes that overcome these limitations through a large (up to 150 nm) Stokes shift, high brightness, good photostability, and efficient twophoton excitation. Central to this platform is a synthetically accessible, sulfonamide-functionalized coumarin core that enables convenient late-stage attachment of diverse organelle-targeting motifs. This modular strategy allows selective labeling of mitochondria, endoplasmic reticulum, lysosomes, plasma membrane, and whole cells at nanomolar concentrations with high signal-to-background ratios. The large Stokes shift minimizes spectral crosstalk and enables straightforward multiplex imaging in combination with green-and red-emitting fluorophores using simplified excitation schemes. These probes perform robustly across multiple imaging modalities, including confocal microscopy, two-photon excitation microscopy, fluorescence lifetime imaging microscopy, and flow cytometry. These new dyes provide a versatile toolkit for dynamic subcellular studies in basic research and disease modelling. Fluorescence ; Multiplex ; Modular design ; Fluorescence-lifetime imaging microscopy ; Live cell imaging ; Microscopy ; Fluorophore ; Stokes shift ; Crosstalk Molecular Sensors and Ion Detection ; Advanced Fluorescence Microscopy Techniques ; Photochromic and Fluorescence Chemistry
Authors: Jianjun Cheng | Jinghan Zhu | Jiamin Yu | Wenwen Shen | Tianfeng Wu | Zuozhen Yang | Ting Zhang | Junmei Zhu | Min Li | Zutao Chen | Xinjian Feng | Qingzhen Han
Source: Nano Research (article, 2026-03-01)
Field: Materials Science — Materials Chemistry

A multifunctional antibacterial nanozyme for eradicating multidrug-resistant bacteria and promoting wound repair The escalating global threat of multidrug-resistant (MDR) bacterial infections necessitates the development of alternative therapeutic strategies beyond traditional antibiotics. In this study, we synthesized gold-copper alloy (AuCu₃) nanozymes to address this challenge and investigated their catalytic efficiency, mechanisms, and interactions with the host immune system. We employed in vitro assays against carbapenem-resistant Klebsiella pneumoniae, murine infection models, and clinical cases of otitis externa to evaluate therapeutic efficacy. Furthermore, single-cell RNA sequencing was utilized to elucidate the underlying immunomodulatory pathways. Our results demonstrate that AuCu₃ nanozymes exhibit potent peroxidase-like activity, catalyzing the conversion of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) into cytotoxic hydroxyl radicals. This reaction achieves broad-spectrum, irreversible bacterial elimination within three hours through synergistic membrane disruption and DNA degradation. In both animal models and clinical applications, the AuCu₃/H₂O₂ system effectively eradicated MDR infections and accelerated tissue repair without inducing systemic toxicity. Mechanistically, transcriptomic analysis revealed that AuCu₃ triggers immunometabolic reprogramming in monocytes, shifting their metabolism from glycolysis to oxidative phosphorylation. This metabolic transition enhances innate immune recruitment, while concurrent activation of copper homeostatic pathways ensure cellular equilibrium. Consequently, AuCu₃ represents a promising dual-action therapeutic platform that combines direct antimicrobial activity with host-directed immune modulation to combat intractable infections and promote wound healing. Immune system ; Antimicrobial ; Innate immune system ; Bacteria ; Reprogramming ; Hydrogen peroxide ; Glycolysis ; Oxidative phosphorylation ; DNA repair Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Neutrophil, Myeloperoxidase and Oxidative Mechanisms
Authors: Xinyu Chen | Yeonsoo Park | Zijian Wang | Gloria J. Zhou | Xinyue Mu | Eva Durance | Zhen Jia | Lynna Deng | George Wells | Fuzhong Zhang | April Z. Gu | Ludmilla Aristilde
Source: Environmental Chemistry Letters (article, 2026-04-04)
Field: Materials Science — Biomaterials

Robust multi-resolution analysis of polyhydroxyalkanoate biopolymers synthesized in a wastewater bacterium Polyhydroxyalkanoates are microbial carbon-storage biopolymers with potential to replace fossil fuel-derived plastics and other polymers, but comparative analysis of the methods for characterization of these biopolymers is lacking. Here, we analyzed polyhydroxyalkanoates in a wastewater-isolated Comamonas species using fluorescence microscopy and flow cytometry for visualization and semi-quantitative assessment, followed by single-cell Raman spectroscopy, gas chromatography-flame ionization detection, and liquid chromatography-mass spectrometry for compositional quantification. Results show that fluorescence microscopy and flow cytometry revealed consistently nutrient-dependent accumulation, with nitrogen-limited cultures exhibiting up to 7-fold higher intracellular fluorescence intensity than controls. Single-cell Raman spectroscopy identified, in addition to low-abundant glycogen-like polymer, coexistence of high-abundant poly(3-hydroxybutyrate) and poly(3-hydroxyvalerate). Gas chromatography-flame ionization detection determined that these short-chain-length polyhydroxyalkanoates constituted 28% of nitrogen-limited biomass. With a derivatization-free high-resolution liquid chromatography-mass spectrometry method, we confirmed minimal glucan, less than (<0.05%) and resolved composition of polyhydroxyalkanoates as 97.8% 3-hydroxybutyrate, 1.7% 3-hydroxyvalerate, and 0.5% medium-chain-length monomers as 3-hydroxydecanoate and 3-hydroxytetradecanoate, demonstrating a sensitive approach with detection limits below 0.05 µg mL− 1 for biopolymer quantification. Polyhydroxyalkanoates ; Wastewater ; Bacteria ; Polyhydroxybutyrate ; Biodegradation biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Hydrogels: synthesis, properties, applications
Authors: Gökhan Gurur Gökmen | Tamer Akan | Gülten Tiryaki Gündüz | Duygu Kışla
Source: Journal of Cluster Science (article, 2026-01-28)
Field: Materials Science — Materials Chemistry

Comparative Evaluation of Boron, Aluminum, and Silicon Nanoparticles for Antibiofilm and Antimicrobial Applications: Insights into Alternative Strategies Abstract Food-contact surfaces represent critical reservoirs for microbial contamination in food-related environments. In this study, food-borne microorganisms were isolated from contact surfaces of domestic refrigerators and food-processing facilities and identified using phenotypic and genotypic approaches. The antimicrobial and antibiofilm activities of boron (B), aluminum (Al), and silicon (Si) nanoparticles (NPs) were evaluated against the isolated microorganisms using a broth microdilution assay in 96-well microplates. Cytotoxicity was assessed by the MTT assay on normal human dermal fibroblast (BJ) and human intestinal epithelial (Caco-2) cell lines. Microbiological analyses revealed that a considerable proportion of sampled surfaces did not meet accepted hygiene criteria, highlighting the need for improved sanitation strategies and supplementary antimicrobial interventions. Among the tested nanomaterials, Al NPs exhibited the highest antibacterial and antibiofilm activity, whereas none of the NPs showed antifungal activity against mold cultures. Minimum inhibitory concentration (MIC) values ranged from 1.25 to 10 mg/mL for bacterial strains and from 3.75 to 15 mg/mL for yeast isolates, depending on the nanoparticle type and microorganism. Cytotoxicity assays demonstrated dose-dependent effects on BJ cells for all NPs (IC 50 values of 93.3, 242.5, and 1259.2 μg/mL for B, Al, and Si NPs, respectively), while only B NPs exhibited cytotoxicity toward Caco-2 cells (IC 50 : 77.9 μg/mL). Overall, the findings indicate that especially Al-based NPs may serve as promising supplementary antimicrobial agents for improving hygiene in food-related environments, provided that their safety profiles are carefully considered. Graphical Abstract Antimicrobial ; Cytotoxicity ; Broth microdilution ; Yeast ; Microorganism ; MTT assay ; Minimum inhibitory concentration ; Bacteria Nanoparticles: synthesis and applications ; Aluminum toxicity and tolerance in plants and animals ; Plant Micronutrient Interactions and Effects
Authors: Avinash V. Borgaonkar | Rakesh Bhaskaran Nair | Josiah Cherian Chekotu | Dermot Brabazon
Source: Progress in Additive Manufacturing (article, 2026-04-09)
Field: Materials Science — Materials Chemistry

Nanoindentation-based mapping of phase-dependent mechanical response in additively manufactured NiTi alloys Nickel-Titanium (NiTi) shape memory alloy specimens were fabricated using Laser Powder Bed Fusion (L-PBF) to investigate the influence of processing parameters on localized mechanical response. Rather than relying solely on bulk-averaged properties, this study implements high-density nanoindentation mapping (up to 2500 indents per sample) to resolve spatial variations in Young’s modulus, hardness, and energy dissipation at the microscale. The mechanical maps were correlated with microstructural features identified by SEM and room-temperature XRD, enabling assessment of phase-dependent heterogeneity associated with B19′ martensite, retained B2 austenite, and defect-rich regions. While volumetric energy density (VED) was used as a comparative parameter, the results demonstrate that identical VED values can yield distinct local mechanical behavior due to differences in scan speed and hatch spacing. Intermediate energy input conditions promoted improved densification and reduced porosity, whereas insufficient or excessive energy input introduced mechanical variability linked to melt pool instability. Phase fractions were estimated using XRD peak integration and interpreted in conjunction with mechanical mapping. The findings establish a structure–property framework for understanding microscale mechanical heterogeneity in L-PBF NiTi alloys relevant to functional applications. Nanoindentation ; Microscale chemistry ; Nickel titanium ; Dissipation ; Fusion ; Shape-memory alloy ; Microstructure ; Yield (engineering) ; Phase (matter) Shape Memory Alloy Transformations ; Additive Manufacturing Materials and Processes ; High Entropy Alloys Studies
Authors: Yue Zhou | Ana C. Feltrin | William G. Fahrenholtz | Gregory E. Hilmas
Source: Journal of the American Ceramic Society (article, 2026-02-01)
Field: Materials Science — Ceramics and Composites

Zirconium and Hafnium Interdiffusion Study in ZrB <sub>2</sub> –HfB <sub>2</sub> System ABSTRACT Interdiffusion of Zr and Hf in the diboride system was investigated. High‐purity zirconium diboride (ZrB 2 ) and hafnium diboride (HfB 2 ) were prepared by a combination of boro‐/carbothermal reduction synthesis and densification by spark plasma sintering. The bulk ceramics had relative densities of 99.3% for ZrB 2 and 99.7% for HfB 2 , and both ceramics were phase‐pure by x‐ray diffraction analysis. Diffusion couples of ZrB 2 and HfB 2 were annealed at temperatures ranging from 2000°C to 2200°C for times from 4 to 12 h. Zr and Hf elemental concentration profiles were measured using energy dispersive spectroscopy and analyzed using an algorithm based on a Boltzmann transformation of Fick's second law. The interdiffusion coefficients increased as the annealing temperature elevated, which indicates that the interdiffusion was a thermally activated process. The diffusion rate of Hf in ZrB 2 is smaller than that of Zr in HfB 2 due to the larger atomic mass and stronger bonding strength. Zirconium diboride ; Hafnium ; Zirconium ; Annealing (glass) ; Ceramic ; Magnesium diboride ; Diffusion ; Diffraction Advanced ceramic materials synthesis ; Boron and Carbon Nanomaterials Research ; MXene and MAX Phase Materials
Authors: Zeting Zeng | Wei Zhao | Qitao Jiang | Yan Han | Rongkai Jiao | Zheng Zhang | Can Zhao | Wenjuan Ci | Wuhong Xue | Huisheng Zhang | Xiaohong Xu
Source: Nano Research (article, 2026-04-01)
Field: Materials Science — Materials Chemistry

A dual-confined strategy growing 2D nonlayered FeCr <sub>2</sub> Te <sub>4</sub> with coexisting ferrimagnetic-antiferromagnetic state The emergence of intrinsic two-dimensional (2D) magnetic materials has spurred exploration of exotic physical phenomena at the atomic limit, while also opening new avenues for the design of compact, ultra-low-power spintronic devices. In contrast to the widely studied layered magnets, the ternary nonlayered magnets with excellent stability remain relatively unexplored. A key challenge lies in the scalable fabrication of high-quality, large-area samples. Herein, we propose a dual-confined chemical vapor deposition strategy for the first-time synthesis of 2D nonlayered ferrimagnetic FeCr<sub>2</sub>Te<sub>4</sub> nanosheets. The as-grown nanosheets exhibit lateral dimensions up to 400 μm and outstanding stability under high-temperature and harsh chemical conditions. The Curie temperature of the samples is independent of thickness. Notably, a temperature-tunable antiferromagnetic state emerges in thicker nanosheets, driven by weak interlayer exchange coupling. Furthermore, the nanosheets exhibit an extrinsic skew-scattering-dominated anomalous Hall effect, with a high carrier concentration of 10<sup>20</sup> cm<sup>-3</sup> and mobility exceeding 30 cm<sup>2</sup> v<sup>-1</sup> s<sup>-1</sup>. This work opens up new avenues for the synthesis of ternary nonlayered 2D magnetic materials and significantly expands the material platform for developing high-performance spintronic devices. Spintronics ; Ferrimagnetism ; Antiferromagnetism ; Ternary operation ; Fabrication ; Curie temperature ; Magnet ; Ferromagnetism 2D Materials and Applications ; Multiferroics and related materials ; Iron-based superconductors research
Authors: Bisma Asghar | Muhammad Usman Saeed | Zeeshan Ali | Shahan Ali | Irsalan Saeed | A.H. Reshak | Hosam O. Elansary | Ihab Mohamed Moussa | Sohail Mumtaz | Yasir Saeed
Source: Materials Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Computational exploration of the diverse functional properties of double antiperovskite materials Na <sub>6</sub> AgBiX <sub>2</sub> (X = Cl, Br, I) Structural transformation from double perovskite to double anti-perovskite. Antiperovskite ; Density functional theory ; Boltzmann constant ; Photovoltaic system ; Photovoltaics Thermal Expansion and Ionic Conductivity ; Heusler alloys: electronic and magnetic properties ; Perovskite Materials and Applications
Authors: Maria-Luiza Stîngescu | Mihai-Adrian Șopronyi | S. Antohe | Nicu-Doinel Scarisoreanu
Source: Crystals (article, 2026-02-27)
Field: Materials Science — Materials Chemistry

Metal Oxide Thin Films for Advanced Photonic Applications Oxide materials represent a versatile and fundamental platform for photonics, allowing the manipulation of light through optical property engineering. This review focuses mainly on the physics and applications of simple oxides, analysing their use in the realisation of dielectric mirrors, in particular of distributed Bragg reflectors, and planar microcavities. Critical aspects regarding the design of multilayer structures, the control of optical confinement and the improvement of the quality factor in passive devices are discussed. However, to provide a complete picture of the evolution of the field, the section dedicated to oxide materials anticipates future directions dominated by complex oxides such as lithium niobate, lithium tantalate and barium titanate required for active photonics. In this context, a necessary technological paradigm shift is highlighted: the transition from the current use of film-on-insulator platforms to the direct epitaxial growth of these functional materials, an essential step for the scalability and monolithic integration of future photonic devices. Photonics ; Barium titanate ; Thin film ; Dielectric ; Lithium tantalate ; Optical engineering ; Oxide Electronic and Structural Properties of Oxides ; Optical Coatings and Gratings ; Photorefractive and Nonlinear Optics
Authors: Tianyi Zhang | Xiaotian Zhang
Source: Micromachines (article, 2026-03-30)
Field: Materials Science — Materials Chemistry

Advances in Low-Dimensional Materials: Synthesis, Characterization and Device Application, 2nd Edition In the past two decades, low-dimensional materials with fundamentally new physicochemical properties originating from quantum confinement effects have garnered significant research attention [...] Characterization (materials science) ; Quantum dot ; Quantum 2D Materials and Applications ; Covalent Organic Framework Applications ; Graphene research and applications