jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: N. Roostaei | Sakineh Almasi Monfared
Source: Scientific Reports (article, 2025-12-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

All dielectric etalon based metasurfaces optimized for high FOM refractive index sensing In this study, an all-dielectric etalon-based metasurface composed of TiO<sub>2</sub> nanopillars embedded in polydimethylsiloxane is proposed and numerically optimized for high-performance refractive index sensing. The proposed etalon configuration efficiently confines the electromagnetic field within the cavity formed by two nanopillar arrays, resulting in a remarkable enhancement of both the Q-factor and the figure of merit (FOM) compared to one-sided structures. Simulation results reveal that the proposed etalon-based metasurface achieves a Q-factor of 5513.5 and a FOM of 1237 RIU<sup>-1</sup>, outperforming previously reported dielectric metasurface sensors. The analysis of the electromagnetic field distribution indicates that the strong confinement within the etalon cavity is responsible for the significant enhancement of the Q-factor and figure of merit (FOM). The integration of an etalon architecture with all-dielectric TiO<sub>2</sub>-PDMS materials provides an optimal balance of sensitivity, Q-factor, and FOM, offering a promising platform for next-generation refractive index sensors with high spectral resolution and detection accuracy. Nanopillar ; Fabry–Pérot interferometer ; Figure of merit ; Refractive index ; Dielectric ; Planar ; Polydimethylsiloxane ; Field (mathematics) Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Electromagnetic wave absorption materials
Authors: Haibo Dong | Hai‐Jui Chu | Wu Zeng | Shicheng Liu | Wenyu Ye
Source: Applied Sciences (article, 2025-08-15)
Field: Chemistry — Organic Chemistry

Molecular Insights into the Insulating and Pyrolysis Properties of Environmentally Friendly PMVE/CO2 Mixtures: A Collaborative Analysis Based on Density Functional Theory and Reaction Kinetics Perfluoromethyl vinyl ether (PMVE) has recently emerged as a promising environmentally friendly insulating gas with potential for practical applications in the power industry. When mixed with CO2, the PMVE/CO2 mixture exhibits an elevated liquefaction temperature and enhanced insulation performance, making it suitable for engineering use. In this study, density functional theory (DFT) calculations were employed to investigate the reactive sites of PMVE molecules. The results indicate that the C2–O and C3–O bonds are the most susceptible to breakage, highlighting their high reactivity. The optimal insulation performance of the PMVE/CO2 mixture is achieved at a CO2 concentration of approximately 60%, with significant molecular decomposition observed at temperatures exceeding 2600 K. The primary decomposition products include C2F2, COF3, COF2, F, C2F3, CO, CF3, and C2F4. Both high temperature and elevated CO2 content accelerate the decomposition process. These findings provide valuable insights into the insulation properties and thermal stability of the PMVE/CO2 system, offering theoretical support for its potential application in eco-friendly high-voltage insulation technologies. Environmentally friendly ; Density functional theory ; Chemistry ; Kinetics ; Materials science ; Nanotechnology ; Computational chemistry ; Physics Free Radicals and Antioxidants ; Catalysis and Oxidation Reactions ; Atmospheric chemistry and aerosols
Authors: Digvijaysinh Ramesh Kale | K. P. Shinde | Dinesh Shah
Source: Journal of Pharmaceutical and Biological Sciences (article, 2025-06-09)
Field: Materials Science — Biomaterials

Role of polymers in enhancing the performance of floating drug delivery systems Role of polymers in enhancing the performance of floating drug delivery systems - JPBS- Print ISSN No: - Online ISSN No:- 2320-1924 Article DOI No:- 10.18231/j.jpbs.2025.009, Journal of Pharmaceutical and Biological Sciences-J Pharm Biol Sci Drug delivery ; Polymer ; Drug ; Computer science ; Nanotechnology ; Materials science ; Pharmacology ; Medicine ; Composite material Nanoparticle-Based Drug Delivery ; Drug Solubulity and Delivery Systems
Authors: Chrysanthi Papadimou | F. Martin | Bertrand Liagre | Bruno Therrien
Source: ChemistrySelect (article, 2025-09-27)
Field: Chemistry — Organic Chemistry

Anthracenyl‐Hydrazinyl‐Thiazolo Arene Ruthenium Complexes Coupled to Photosensitizers as PDT Agents Abstract Four anthracenyl‐functionalized hydrazinyl‐thiazolo pro‐ligands ( L 1 ‐ L 4 ) have been synthesized and characterized. Complexation to p‐ cymene ruthenium units has been conducted in methanol, affording four p ‐cymene ruthenium complexes [Ru( p ‐cymene)( η 2 ‐ L )Cl]Cl (abbreviated [ RuL 1‐4 Cl]Cl). The ligands are coordinated to ruthenium by two nitrogen atoms, thus forming five‐membered metalla‐cycles. Then, these four arene ruthenium piano‐stool complexes ( RuL 1‐4 ) were coordinated at the periphery of three pyridyl‐functionalized porphyrin compounds, 5‐pyridyl‐10,15,20‐triphenylporphyrin ( MPP ), 5,15‐dipyridyl‐10,20‐diphenylporphyrin ( DPP ), and 5,10,15,20‐tetrapyridylporphyrin ( TPP ), after removal of the chlorides in [ RuL 1‐4 Cl]Cl by addition of silver triflate, to produce the corresponding dicationic [ MPP ( RuL 1‐4 )] 2+ , tetracationic [ DPP ( RuL 1‐4 ) 2 ] 4+ and octacationic complexes [ TPP ( RuL 1‐4 ) 4 ] 8+ . All organic molecules ( L 1 ‐ L 4 , MPP , DPP , TPP ), organometallic complexes ([ RuL 1‐4 Cl]Cl), as well as the 12 porphyrin arene ruthenium systems [ MPP ( RuL 1‐4 )](CF 3 SO 3 ) 2 , [ DPP ( RuL 1‐4 ) 2 ](CF 3 SO 3 ) 4 and [ TPP ( RuL 1‐4 ) 4 ](CF 3 SO 3 ) 8 have been tested as anticancer agents on the colon cancer cell line HCT116. In addition to cytotoxicity, the phototoxicity of the porphyrin‐containing derivatives MPP ( RuL 1‐4 ), DPP ( RuL 1‐4 ) 2 and TPP ( RuL 1‐4 ) 4 , together with MPP , DPP , TPP, and [ RuL 1‐4 Cl]Cl, were evaluated under blue (420 nm, 20 J/cm 2 ), green (527 nm, 72 J/cm 2 ), and red (630 nm, 71 J/cm 2 ) light, showing a phototoxicity in the lower nanomolar range as well as excellent phototoxic indexes. Ruthenium ; Porphyrin ; Molecule ; Group 2 organometallic chemistry ; Catalysis Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Chemical Reactions and Mechanisms
Authors: X. Lytvynenko | Martina Urbanová | Ondřej Lalinský | V. Vojta | Jan Bárta | Lenka Procházková | Václav Čuba
Source: Radiation Measurements (article, 2025-10-10)
Field: Materials Science — Materials Chemistry

Composition-dependent properties of CexLa0.95-xTb0.05F3 Nanopowders Tailored for X-ray photodynamic therapy and cathodoluminescence imaging Cathodoluminescence ; Radioluminescence ; Luminescence ; Photoluminescence ; Analytical Chemistry (journal) ; Crystallinity ; Quenching (fluorescence) ; Thermoluminescence ; Phosphor Luminescence Properties of Advanced Materials ; Atomic and Subatomic Physics Research ; Nanoplatforms for cancer theranostics
Authors: Bent Havsteen
Source: Preprints.org (preprint, 2025-08-22)
Field: Chemistry — Analytical Chemistry

The Role of the Oxygen Hole in Hydrolases The oxygen hole is ubiquitous in hydrolase and lowers the activation energy of the transition state. Its geometry invites the formation of a low energy tetrahedron facilitating electronic movements. In effect it functions as a switch. Oxygen ; Chemistry ; Business Petroleum Processing and Analysis ; Metal-Catalyzed Oxygenation Mechanisms ; Hydraulic Fracturing and Reservoir Analysis
Authors: О.V. Zaichuk | Аleksandra Amelina | Yurii Hordieiev | Д.В. Филоненко | Y.R. Kalishenko | Olena Khomenko
Source: Voprosy Khimii i Khimicheskoi Tekhnologii (article, 2025-10-01)
Field: Materials Science — Ceramics and Composites

Heat-resistant radio-transparent ceramics in the SrO–Al2O3–SiO2 system modified with BaO Strontium anorthite ceramics modified with barium oxide were synthesized using glasses of composition (37.4–x)SrO–xBaO–7.8Al2O3–10.5B2O3–44.3SiO2, where x ranged from 0 to 20 mol.%. The crystallization of the strontium anorthite phase was achieved through reaction-based structure formation, incorporating crystalline fillers to supply any deficient components. The ceramics demonstrated zero water absorption at a low firing temperature of 12500C. The primary crystalline phase identified was monoclinic strontium anorthite, forming a uniform structural matrix. Strontium anorthite formed a solid solution with barium owing to the similar ionic radii and charges of Sr2+ and Ba2+, preserving the integrity of the basic structural units. The ceramics demonstrated excellent thermal characteristics, including thermal stability up to 8000C and refractoriness of 14600C. Dielectric characterization at 1010 Hz showed a relative permittivity of 4.9–5.0 and low dielectric losses (tan=0.001), which allows the developed ceramics to be used in the aerospace and rocket industries. Anorthite ; Ceramic ; Dielectric ; Strontium ; Crystallization ; Thermal stability ; Relative permittivity ; Permittivity Advanced ceramic materials synthesis ; Nuclear materials and radiation effects ; Nuclear Materials and Properties
Authors: Mingrui Wang | Ting Jiang | Ting Zhang | Hongjie Zhang | Hongqing Wu | Rongpei Jiang | Yang Li | Song Cheng
Source: ArXiv.org (preprint, 2025-10-02)
Field: Materials Science — Materials Chemistry

Theoretical investigation of real-fluid effects on the oxidation of hydrogen and syngas in high-pressure flow reactors Investigating the high-pressure pyrolysis and oxidation of hydrogen and syngas is essential for developing accurate combustion models under real engine conditions. Accordingly, flow reactors have been increasingly used in these fundamental combustion research at high-pressure conditions to achieve chemical kinetic modeling. However, these previous chemical kinetic modeling for pyrolysis and oxidation has almost been completely conducted based on ideal gas assumption, which might fail at high-pressure conditions when real-fluid behaviors become pronounced. Elucidating whether this is the case is urgent given the high demand for high-pressure combustion and propulsion technologies. Toward this, this study establishes a first-of-its-kind real-fluid modelling framework for high-pressure flow reactors, where the physical molecular interactions in real fluids are represented via coupling ab initio intermolecular potentials with high-order Virial equation of state and further with real-fluid thermochemistry, real-fluid chemical equilibrium, and real-fluid conservation laws of species, mass, and momentum. Using the developed framework, real-fluid effects in high-pressure flow reactors are quantified through case studies of hydrogen and syngas oxidation, covering pressure of 10-500 bar, temperature of 601-946 K, equivalence ratio of 0.0009-12.07, and dilution ratio of 5.9%-99.5%. The results reveal the strong real-fluid effects in high-pressure flow reactors, where ignoring them can lead to considerable errors in the simulated mole fractions, which are higher than typical levels of measurements uncertainty in flow reactors. These errors can lead to misinterpretation of the fundamental oxidation chemistry in high-pressure flow reactors and pose significant errors in the developed chemistry models, which should be adequately accounted for in future high-pressure flow reactor studies. Syngas ; Combustion ; Hydrogen ; Flow (mathematics) ; Dilution ; Plug flow reactor model ; Continuous reactor Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Catalysts for Methane Reforming
Authors: Adriana Gilarska | Wojciech Horak | A. Radziszewska | Damian Rybicki | Cz. Kapusta
Source: Polymers (article, 2025-09-09)
Field: Materials Science — Biomaterials

Effect of Application of a Homogeneous Magnetic Field During Chemical Crosslinking of Magnetic Collagen-Based Hydrogels with Genipin on Their Essential Properties The aim of this study was to investigate the effect of a static, homogeneous magnetic field on the physicochemical properties of magnetic hydrogels based on collagen and superparamagnetic iron oxide nanoparticles (SPIONs), chemically crosslinked with genipin. The crosslinking process was initiated in the presence of a magnetic field with three different induction values (100, 250 and 500 mT), generated in specially designed experimental systems. It was demonstrated that the applied field did not noticeably affect the crosslinking efficiency, and stable hydrogels with a high gel fraction in the range of 87-94% were obtained. STEM image analysis revealed that in the highest magnetic field, the nanoparticles tended to form larger clusters, while at lower fields and in the material crosslinked at zero field, smaller clusters and chains of nanoparticles were observed mainly. This observation was reflected in the magnetic susceptibility, which showed a weaker response to the magnetic field of the material obtained by crosslinking in the presence of the 500 mT field compared to the material crosslinked without the field-larger clusters of nanoparticles may hinder the alignment of the magnetic moments of their constituent nanoparticles. Studies of the physicochemical properties of the hydrogels obtained indicate that the presence of larger clusters can cause a local decrease in the crosslinking density, resulting in a slight decrease in the storage modulus and increased initial swelling and degradation rates. The results obtained show that the application of a homogeneous magnetic field with moderate induction values during the crosslinking process can be used as a tool for modification of the microstructure of magnetic collagen-based hydrogels. The possibility of such structural modifications may be useful in designing biomaterials with properties tailored to their target application. Self-healing hydrogels ; Genipin ; Magnetic nanoparticles ; Superparamagnetism ; Nanoparticle ; Magnetic field ; Swelling ; Homogeneous Collagen: Extraction and Characterization ; Bone Tissue Engineering Materials
Authors: S. Kim | Ji-Hyeon Oh | Min‐Ho Hong | Joon Ha Lee | You‐Young Jo | Seong‐Gon Kim
Source: Journal of Functional Biomaterials (article, 2025-12-18)
Field: Materials Science — Biomaterials

L-Serine–Incorporated Collagen Scaffolds for Modulating In Vivo Degradation Behavior Collagen-based biomaterials are widely used, but their relatively rapid biodegradation can limit functional duration. Such collagen constructs are widely used as barrier membranes in guided tissue and bone regeneration, where controlled degradation is essential for maintaining function. Although conventional crosslinking methods extend stability, they may introduce cytotoxicity, alter mechanical behavior, or hinder tissue integration. This study evaluated whether incorporating L-serine, a polar amino acid capable of hydrogen bonding, could modulate collagen structure and slow degradation without chemical crosslinking. L-Serine was selected because its hydroxyl-containing side chain can engage in biocompatible, hydrogen-bond-mediated interactions that offer a mild, non-crosslinking means of stabilizing collagen. Collagen scaffolds, prepared by incorporating L-serine into a collagen hydrogel followed by drying, were produced with 0-40 wt% L-serine and characterized using X-ray diffraction, Fourier-transform infrared spectroscopy, circular dichroism, and scanning electron microscopy. In vivo degradation was assessed in a subcutaneous mouse model comparing unmodified collagen, collagen containing 40 wt% L-serine, and a commercially available bilayer porcine collagen membrane (Bio-Gide<sup>®</sup>, composed of type I and III collagen), with residual area quantified by serial sonography and histological evaluation. Low-to-moderate L-serine incorporation preserved triple-helical features, while 40 wt% led to crystalline domain formation and β-sheet enrichment. L-serine-treated collagen exhibited significantly greater residual area (2.70 ± 1.45 mm<sup>2</sup>) than unmodified collagen (0.37 ± 0.22 mm<sup>2</sup>, <i>p</i> < 0.05), although Bio-Gide<sup>®</sup> remained the most persistent (5.64 ± 2.76 mm<sup>2</sup>). These findings demonstrate that L-serine incorporation can modulate collagen structure and degradation kinetics through a simple, aqueous, and non-crosslinking approach. The results provide preliminary feasibility data supporting amino acid-assisted tuning of collagen resorption properties and justify further evaluation using membrane-specific fabrication and application-relevant testing. Degradation (telecommunications) ; In vivo ; Membrane ; Type I collagen ; Kinetics ; Bilayer ; Biomaterial ; Scaffold Collagen: Extraction and Characterization ; Silk-based biomaterials and applications ; Biopolymer Synthesis and Applications
Authors: Jan Peter Ebbecke | Domenic Schlauch | Cengiz Güler | Hamidreza Pirmahboub | Selin Kara | Iliyana Pepelanova
Source: Applied Microbiology and Biotechnology (article, 2025-12-24)
Field: Materials Science — Biomaterials

Methanol feeding strategies for high-yield production of a collagen-based protein in Komagataella phaffii The recombinant production of extracellular matrix proteins is a promising approach for replacing animal-derived materials in biomedical applications. K. phaffii represents a favorable expression host because it combines the ability of higher eukaryotes for secreted protein production with the ability to grow to high cell densities on simple, low-cost media. Additionally, this well-studied host allows for tight control of recombinant protein expression using the methanol-inducible AOX1 promoter. In this study, different methanol feeding strategies were evaluated to optimize the expression of a collagen-mimetic protein (ColMP-His). A methanol feed approach with carbon as a limiting nutrient resulted in the highest target protein production, whereas exponential feeding resulted in fast biomass accumulation with reduced protein expression. Moreover, the limited feeding strategy resulted in 25% lower oxygen consumption, despite the longer fermentation time, which has a positive impact on process cost efficiency. The application of a three-phases fermentation strategy with the addition of a preceding glycerol-fed batch phase to increase biomass did not improve product titers and was associated with reduced expression efficiency. A variation in the methanol feeding rate was also investigated for induction. A gradient-based methanol feed, which increased incrementally over time, achieved the highest final product concentration and sustained expression over extended fermentation periods. Compared with the initial process, the yield was increased by a factor of 11. Despite statistical limitations due to high variability, the results highlight the importance of adaptive process control in balancing cell growth and recombinant protein production. The presented gradient-based strategy provides a foundation for animal-free, scalable production of recombinant collagen materials. KEY POINTS: • Methanol-limiting feed enhances collagen expression in Komagataella phaffii bioprocesses. • Exponential feeding favors biomass but lowers protein yield and process efficiency • Gradient feeding results in the highest collagen titers and sustained expression. Fermentation ; Recombinant DNA ; Bioreactor ; Biomass (ecology) ; Methanol ; Protein expression ; Extracellular ; Bioprocess ; Yield (engineering) Collagen: Extraction and Characterization ; Enzyme Production and Characterization ; Protein Hydrolysis and Bioactive Peptides
Authors: Jih-Hsin Liu | C.-M. Yen
Source: C – Journal of Carbon Research (article, 2025-02-12)
Field: Materials Science — Materials Chemistry

Diffusion-Improved Recrystallization of Ammonia Doping to Enhancing the Optoelectronic and Thermoelectric Effects of Multi-Junction Carbon Nanotube Paper Diodes This study focuses on fabricating flexible multi-junction diodes using carbon nanotubes (CNTs) as the base material, employing doping engineering and recrystallization-driven thermal diffusion techniques to enhance optoelectronic and thermoelectric properties. N-type CNTs are synthesized through ammonia doping and combined with intrinsic P-type CNTs to create PN multi-junction “buckypaper”. Post-diffusion processes improve junction crystallinity and doping gradients, significantly boosting the rectification ratio and optoelectronic and thermoelectric response. The device follows the superposition principle, achieving notable increases in thermoelectric and photovoltaic outputs, with the Seebeck coefficient rising from 5.7 μV/K to 24.4 μV/K. This study underscores the potential of flexible carbon-based devices for energy harvesting applications and advancing optoelectronic and thermoelectric systems. Materials science ; Thermoelectric effect ; Carbon nanotube ; Optoelectronics ; Doping ; Diode ; Homojunction ; Rectification ; Recrystallization (geology) ; Thermoelectric materials ; Nanotechnology ; Thermal conductivity ; Composite material ; Electrical engineering ; Voltage Carbon Nanotubes in Composites ; Advanced Thermoelectric Materials and Devices ; Thermal properties of materials
Authors: Yang Xu | Zhiqiang Sun | Panxin Wang | Qi Wang | Q Li | Xingbo Bian
Source: Small (article, 2025-12-30)
Field: Materials Science — Materials Chemistry

Structure‐Driven α‐Fe <sub>2</sub> O <sub>3</sub> @Ag Nanohybrids Orchestrate Redox–Hormone–Metabolite Crosstalk for Plant Salt Stress Reprogramming Soil salinity is a critical abiotic stressor that disrupts plant growth by impairing redox balance, membrane stability, and metabolic coordination. While nanomaterials have emerged as promising abiotic stress modulators, the influence of nanoscale architecture on multi-level plant responses remains insufficiently understood. Here, we report the design and application of pinwheel-like α-Fe<sub>2</sub>O<sub>3</sub>@Ag nanohybrids, engineered through controlled hydrolysis, ball milling, and high-temperature calcination, to reprogram salt stress responses across physiological and molecular scales. These hybrids exhibit hierarchical anisotropic structures that promote leaf adhesion, cellular uptake, and redox interface activity. Integrated multi-omics analyses reveal that α-Fe<sub>2</sub>O<sub>3</sub>@Ag enhances stress tolerance by modulating antioxidant defense, preserving photosynthetic efficiency, and rebalancing osmotic and hormonal pathways. At the molecular level, the nanohybrids induce transcriptomic and metabolomic rewiring across key axes, including unsaturated fatty acid metabolism, sulfur assimilation, hormone signaling (ABA and JA), and protein turnover. This study presents a structure-function-response framework linking nanomaterial morphology to biological outcomes, and highlights the potential of hybrid nanoregulators as versatile tools for enhancing crop resilience under environmental stress. The findings offer conceptual and practical advances for developing next-generation nano-enabled strategies in sustainable agriculture. Abiotic stress ; Crosstalk ; Nanomaterials ; Abiotic component ; Biotic stress ; Metabolomics ; Photosynthesis ; Reprogramming Advanced Nanomaterials in Catalysis ; Iron oxide chemistry and applications ; Carbon and Quantum Dots Applications