jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Enrico Salvadori | Valeria Lagostina | Marco Ricci | Fabio Carniato | Mauro Botta | Carlos Platas-Iglesias | Mario Chiesa
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Surfaces, Coatings and Films

From electron spin to relaxivity: a multidisciplinary perspective on first-row transition metal-based MRI probes The electron spin is a key enabler of some of the most advanced current technologies. A prime example is the development of MRI contrast agents, where precisely engineered electron spin properties are utilized to enhance the capabilities of one of the most powerful diagnostic tools in the medical science. Clinically approved contrast agents are based on paramagnetic gadolinium(iii) complexes. However, to alleviate health and environmental concerns, as well as for specialized applications, alternatives are sought after. Due to their rich chemistry, abundance and low toxicity first-row paramagnetic transition metal ions are emerging as an appealing alternative. A large experimental effort is needed to engineer the new generation of contrast agents. The primary source of information comes from Nuclear Magnetic Relaxation Dispersion (NMRD) profiles. While fitting these profiles can, in principle, yield all the structural and dynamic parameters that influence relaxation, the underlying theoretical models demonstrate a significant challenge. The parameters affect the NMRD profiles in highly coupled, non-separable ways, meaning that a simple, unconstrained fit often results in a non-unique solution. Consequently, the independent experimental determination of some, and preferably most, of these parameters offers a considerable advantage in obtaining reliable and physically meaningful information. This perspective outlines an integrated approach that exploits Electron Paramagnetic Resonance (EPR) spectroscopy for the accurate determination of key molecular parameters. Specifically, EPR is used to quantify the rotational correlation time, the closest proton-metal distance, and the electron spin density at the proton. This methodology is particularly relevant for contrast agents based on first-row transition metal ions. We discuss the contribution of EPR in a complementary context with well-established techniques such as NMR and DFT. Paramagnetism ; Electron paramagnetic resonance ; Spin (aerodynamics) ; Multidisciplinary approach ; Electron ; Relaxation (psychology) ; Key (lock) ; Contrast (vision) Electron and X-Ray Spectroscopy Techniques ; Machine Learning in Materials Science ; Advanced Electron Microscopy Techniques and Applications
Authors: Adrita Anwar | Shahamat Mustavi Tasin | Mahabub Alam Bhuiyan | Nymul Yeachin | Sharnali Islam | Khaleda Ali
Source: Nanoscale Advances (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Beyond application-specific design: a generalized deep learning framework for optical property prediction in TiO <sub>2</sub> /GaN nanophotonic metasurfaces Metalenses have garnered significant attention for their remarkable ability to precisely focus light while obviating the inconvenience and intricacy associated with conventional curved lenses. Identifying the best response for these phase gradient optical devices necessitates intensive trial and error analysis of meta-atoms with various shapes, materials and dimensions. In this work, we present an artificial intelligence-based framework to predict the highly skewed, complex transmission and phase responses of the constituent nanorods. Here, we employed a transfer learning model to train on two extensive datasets comprising the optical responses of gallium nitride and titanium dioxide nanopillars, each integrated onto silica substrates. The accuracy of the dataset was assessed through experimental investigation, particularly inspecting transmittance and the refractive index for a TiO<sub>2</sub> layer of a certain height. A reasonable agreement has been obtained for both cases. The optimized algorithm estimates the performance in terms of amplitude and phase, attaining minimum Mean Squared Error (MSE) values of 2.3 × 10<sup>-6</sup> and 1.31 × 10<sup>-5</sup>, respectively, for a wavelength range of 600-700 nm. To validate the effectiveness of our proposed approach, focusing performance was exhibited for two flat lenses: a smaller lens with a 20 μm diameter and a larger lens featuring an identical diameter and focal length of 100 μm. A brief study on the effects of varying angles of incident light has also been conducted. While minimizing the need for typically tedious and at times ineffective repetitive analyses, the parameterized datasets can be beneficial for developing different optical components. Tonic (physiology) ; Property (philosophy) ; Computer science ; Materials science ; Optoelectronics ; Artificial intelligence ; Biological system ; Neuroscience ; Biology Metamaterials and Metasurfaces Applications ; Optical Wireless Communication Technologies ; Photonic Crystals and Applications
Authors: Wentao Yang | Tian Meng | Xiaoning Song | Jiaxin Cui | Zhifeng Zhao | Zhenhao Wu | Hongyu Chen | Yuwen Yi
Source: Food Production Processing and Nutrition (article, 2025-12-02)
Field: Chemistry — Organic Chemistry

Thermally driven protein structural reorganization and texture evolution in beef: a multimodal analysis of deep- frying mechanisms This study systematically investigated the effects of deep- frying temperatures (150 °C, 180 °C, 210 °C) on protein structure reorganization and textural evolution in beef. Through integrating low-field nuclear magnetic resonance (LF-NMR), Fourier transform infrared spectroscopy (FTIR), and biochemical assays, we revealed that elevated temperatures induced hierarchical alterations. Biochemical assays demonstrated progressive increases in protein carbonyl content, lipid oxidation, and protein hydrophobicity, alongside reductions in sulfhydryl content and protein solubility, as temperature increased. LF-NMR analysis indicated a reduction in the proportions of bound and free water, with moisture redistribution into immobilized states at higher temperatures. FTIR analysis revealed temperature-dependent structural transitions: α-helix, β-turn, and β-sheet contents decreased, while random coil content increased, correlating with diminished elasticity and cohesiveness. Additionally, higher temperatures induced surface hardening, limited sodium chloride diffusion and altered color parameters (reduced redness and increased yellowness). These findings underscore the trade-offs between thermal processing benefits and oxidative compromises, providing critical insights for optimizing traditional deep-frying conditions to balance sensory quality, nutritional retention, and consumer acceptability. Fourier transform infrared spectroscopy ; Random coil ; Spectroscopy ; Protein aggregation ; Protein structure ; Sodium ; Infrared spectroscopy ; Texture (cosmology) ; Water content Edible Oils Quality and Analysis ; Polyamine Metabolism and Applications ; Meat and Animal Product Quality
Authors: Ali N. A. Koam | Muhammad Faisal Nadeem | Ali Ahmad | Abdullah Ali H. Ahmadini | Bahreselam Sielu Abraha | Ibtisam Masmali
Source: Discover Nano (article, 2025-07-01)
Field: Chemistry — Organic Chemistry

Hosoya entropy analysis of some fullerene structures This study examines the structural complexity of fullerene graphs using Hosoya entropy as a measure. The entropy values were calculated for various fullerene structures, including <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow><mml:msubsup><mml:mi>F</mml:mi> <mml:mrow><mml:mn>3</mml:mn> <mml:mo>,</mml:mo> <mml:mn>1</mml:mn></mml:mrow> <mml:mi>s</mml:mi></mml:msubsup> <mml:mo>,</mml:mo></mml:mrow> </mml:math> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msubsup><mml:mi>F</mml:mi> <mml:mrow><mml:mn>4</mml:mn> <mml:mo>,</mml:mo> <mml:mn>2</mml:mn></mml:mrow> <mml:mi>s</mml:mi></mml:msubsup> </mml:math> and fullerenes ranging from C20 to C100.The relationship between the size of the fullerenes and the entropy is intuitively clear: the larger the fullerenes, the higher the value of entropy because of increased structural complexity and diversity of equivalence classes. Smaller fullerenes, like C20, have lower entropy, a consequence of their simpler and more symmetrical molecular structure. These findings provide theoretical insights into structural intricacies of fullerenes and their possible applications in material science and nanotechnology. Fullerene ; Entropy (arrow of time) ; Algorithm ; Materials science ; Artificial intelligence ; Computer science ; Chemistry ; Physics ; Thermodynamics Fullerene Chemistry and Applications ; Graph theory and applications ; Carbon Nanotubes in Composites
Authors: Yipeng Pan | Yuanyuan Liu | Yadong He | Chunling Xin | Feng Ren | Yang Yu
Source: Advances in Polymer Technology (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Effect of Online Plasma Treatment on Fiber Surfaces and Mechanical Properties of Continuous Basalt Fiber‐Reinforced Polypropylene Composites Continuous basalt fiber‐reinforced polypropylene (BFRP) composites exhibit excellent mechanical properties, chemical stability, and environmentally friendly characteristics, making them one of the most promising types of composites. However, basalt fibers’ (BFs) smooth and chemically inert surface leads to poor interfacial bonding between the fibers and resin, significantly hindering their rapid development. Most existing fiber surface treatment methods are conducted discontinuously, making them unsuitable for the continuous online production of composites. This study developed an online plasma continuous fiber surface treatment device to integrate fiber surface modification with preparing continuous BFRP composites using the melt impregnation method. Orthogonal experiments were conducted to assess the influence of plasma discharge power, treatment distance, and gas pressure on the effectiveness of fiber surface treatment. Additionally, the working gas type’s impact on basalt fiber (BF) modification was explored. X‐ray photoelectron spectroscopy (XPS), Atomic force microscopy (AFM), Scanning electron microscopy (SEM), and mechanical property tests were employed to comprehensively evaluate the surface morphology and chemical composition of the treated fibers, as well as the mechanical properties of the composites. The results revealed that the surface roughness (Ra) of the fibers treated under optimal process parameters increased by 34% compared to the control group. The interlaminar shear strength (ILSS) of the BFRP composites increased by 104%, the tensile strength of standard samples improved by 10.28%, bending strength increased by 9.47%, and impact strength rose by 18.19%, all compared to the control group. These findings indicate that plasma treatment technology can be effectively applied to online fiber modification, significantly enhancing the mechanical properties of the composites. Materials science ; Composite material ; Basalt fiber ; Polypropylene ; Fiber Natural Fiber Reinforced Composites ; Fiber-reinforced polymer composites ; Tribology and Wear Analysis
Authors: Caroliny M. Santos | Thiago F. Santos | José Heriberto Oliveira do Nascimento | Sanjay Mavinkere Rangappa | Femiana Gapsari | Suchart Siengchin
Source: Discover Polymers. (article, 2025-12-13)
Field: Materials Science — Polymers and Plastics

Natural fibers as a conscious choice for a greener future The growing search for sustainable alternatives to synthetic materials has established natural fibers as strategic elements for the development of environmentally friendly composites. This study critically reviews scientific advances in the field of natural fibers applied to sustainable composites, exploring trends, applications, and challenges shaping the future of this field. The work’s originality lies in its comprehensive bibliometric analysis of over two decades of international research, revealing not only the significant rise of lignocellulosic fibers as key players but also the pathways that connect mechanical properties, processing, sustainability, and industrial applications. The study organizes the scientific landscape into four thematic areas: sustainable materials, biocomposite properties, hybrid composites, and recycling, offering an integrated view that highlights both the potential for replacing synthetic fibers and the remaining barriers, such as water absorption and the need for advanced treatments. The central contribution of this work is to demonstrate that natural fiber composites, especially biocomposites and hybrids, are not only a viable alternative, but also a strategic solution for aligning materials innovation with global goals of sustainability, circular economy, and reduced environmental impact. The findings position natural fiber composites as critical to sustainable material development. Biocomposite ; Natural (archaeology) ; Sustainability ; Sustainable development ; Environmentally friendly ; Work (physics) ; Natural fiber ; Synthetic fiber Natural Fiber Reinforced Composites ; Fiber-reinforced polymer composites ; Advanced Cellulose Research Studies
Authors: Shikha Parashar | Vivek Chawla | Surjit Angra | Arindam Kumar Chanda
Source: Engineering Solid Mechanics (article, 2025-12-11)
Field: Materials Science — Polymers and Plastics

Optimization of static and impact mechanical properties for Kenaf-Coir hybrid composite modified with carbon nanotube (CNT) This decade has observed an upsurge in the eco-friendly materials because of the development of composites using natural fibers. These composites are made from renewable resources and are gaining popularity for their high performance in engineering applications. Industries are increasingly interested in using materials that are sustainable and resource-efficient. This research proposes a new innovative hybrid composite developed using coir and kenaf fibers, carbon nanotubes acting as a nanofiller, and a matrix made up of epoxy resin, detailing how they are fabricated, tested, and optimized based on different weight percentages. The weight percentages considered for CNT nanoparticles are 0, 1, 2, and 3 wt.%, coir, and kenaf fibers are considered in weight percentages of 12, 13, 14, and 15, whereas thickness is regarded as 2,3,4 and 5 mm. This research evaluates the mechanical features of this hybrid composite fabricated using a vacuum bag molding process. The different composite samples are tested using mechanical tests and subsequently optimized using the design of experiment (i.e., Taguchi method) and analysis of variance (ANOVA) method to arbitrate the best weight percent combination of the innovative hybrid composite. On the basis of the optimization results, the best composite sample obtained includes, 3 wt% of CNT, 15 wt% of kenaf, 15 wt% of Coir, and 4mm thickness of the sample, as it yields the highest tensile modulus and strength among all the hybrid composite samples. The outcomes from the research indicate that the hybridization of kenaf fibers into coir fibers, along with CNTs as fillers in the hybrid composite has enhanced the overall tensile strength, and flexural strength of the hybrid composite in comparison to the coir composite and kenaf composite alone, depicting the superiority of natural fiber hybrid composite over synthetic fiber hybrid composite. Kenaf ; Composite number ; Ultimate tensile strength ; Carbon nanotube ; Taguchi methods ; Coir ; Compression molding ; Molding (decorative) ; Biocomposite Natural Fiber Reinforced Composites ; Carbon Nanotubes in Composites ; Scientific and Engineering Research Topics
Authors: Sangwon Baek | Wonwoo Choi | Sun-Woong Kim | Minah Yoon | Taein Choi | Hak‐Joo Lee | K W Kim
Source: Materials (article, 2025-11-10)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Characteristics of Low-Frequency Metasurface Microwave Absorption Filter with Composite Molding and Size Dependency This study presents a lightweight metasurface microwave absorption filter (MMAF) designed for low-frequency stealth applications in the L-band. The metasurface is optimized using a genetic algorithm to achieve broadband absorption at subwavelength thickness. The fabricated MMAF consists of a glass fiber-reinforced plastic layer, a metasurface layer, and a dielectric layer with a size of 30 × 30 cm<sup>2</sup>. It maintains a reflection coefficient below -10 dB in the frequency range of 1.01-1.78 GHz. Experiments using small MMAFs measuring 15 × 15 cm<sup>2</sup> confirmed stable performance after composite molding. In addition, the results from small MMAFs configured in a 2 × 2 array were similar to those of the 30 × 30 cm<sup>2</sup> structure. These results highlight the potential of the MMAF for scalable deployment on curved or segmented surfaces, expanding its applicability to various stealth platforms. Microwave ; Broadband ; Composite number ; Absorption (acoustics) ; Reflection coefficient ; Reflection (computer programming) ; Molding (decorative) ; Dielectric Electromagnetic wave absorption materials ; Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies
Authors: Ghadeer F. Mehyar | Nihad Alsmairat | Zaina A. Fahil | Dana M. Alangar | Nour T. Hasan | Salam A. Ibrahim
Source: Discover Food (article, 2025-05-29)
Field: Materials Science — Biomaterials

Application of whey protein and pea starch edible coatings with citric acid: impact on the quality and texture of dried apple and potato slices The effect of whey protein isolate (WPI), pea starch (PS), and composite coatings (WPI + PS), with or without the incorporation of citric acid (CA), on the physicochemical, color, microbial, textural, and sensory properties of dried apple and potato slices was investigated. All coatings reduced the browning index (BI) and increased the moisture content of the samples. The incorporation of CA increased acidity, lowered pH, and minimized the BI, with the PS-CA coating on apples achieving the lowest BI (0.15). Coatings containing CA enhanced the samples’ lightness (L*), yellowness (b*), and chroma than those without CA. The PS-CA coating maintained color closest to that of the fresh samples, exhibiting the lowest ∆E values. PS-CA and WPI + PS-CA coatings were the most effective in reducing mesophilic aerobes, coliforms, and yeasts and molds, achieving the highest reductions in coliform counts (2.6 log CFU/g and 1.9 log CFU/g, respectively) in apple slices. All coatings improved the fracturability, crunchiness, and hardness work of the samples, with the presence of CA further enhancing the textural properties. The PS-CA coating resulted in the highest crunchiness and hardness work (8.1 and 23.9 MJ, respectively), and the lowest fracturability (489.9 g). Coated samples exhibited lower stiffness, with fractures occurring approximately 8 s earlier in apple slices. The coatings improved sensory lightness, shrinkage, glossiness of apple slices, and overall acceptability. Active edible coatings containing CA effectively mitigated the deteriorative effects of drying on minimally processed apples and potatoes, with the PS-CA coating emerging as the most effective treatment. Food science ; Citric acid ; Texture (cosmology) ; Whey protein ; Pea protein ; Starch ; Chemistry ; Computer science ; Artificial intelligence Nanocomposite Films for Food Packaging ; Phytochemicals and Antioxidant Activities ; Microencapsulation and Drying Processes
Authors: Bowen Liu | Jinwei Zhang | Sixuan Wang | Jie Gu | Man Jiao | Zhou Li
Source: Scientific Reports (article, 2025-10-07)
Field: Materials Science — Materials Chemistry

Grain and texture optimisation with dynamic recrystallisation behaviour in laser ablation of 5083 aluminium alloy Aluminium alloys are widely utilized for their outstanding properties, though surface quality critically impacts service performance. Laser ablation has emerged as a preferred surface enhancement technique. The influence of laser energy density on 5083 aluminium alloy was investigated through X-ray diffraction (XRD) and electron backscattering diffraction (EBSD) analyses of composition and microstructure. With 3.5 J/cm<sup>2</sup>, initial grain refinement occurs, attributed to localized heating and subsequent recrystallization processes. With 17.5 J/cm<sup>2</sup>, dynamic recrystallization leads to significant grain refinement and a more random grain orientation, reducing the intensity of the (111) peak in XRD. With 70 J/cm<sup>2</sup>, grain coarsening is observed, but the overall orientation density slightly recovers due to the homogenization of grain orientations. The Kernel Average Misorientation (KAM) and Kernel Average Scalar (KAS) values indicate that high energy density treatments effectively reduce local misorientations and strain, demonstrating the potential of laser ablation techniques. Electron backscatter diffraction ; Recrystallization (geology) ; Misorientation ; Equiaxed crystals ; Diffraction ; Aluminium alloy ; Grain size ; Aluminium ; Laser Microstructure and mechanical properties ; Aluminum Alloy Microstructure Properties ; Metal and Thin Film Mechanics
Authors: Elijah Borodin | A. G. Sheĭnerman | M. Yu. Gutkin | Andrey P. Jivkov
Source: Journal of the American Ceramic Society (article, 2025-12-08)
Field: Materials Science — Ceramics and Composites

The beneficial effect of agglomerations of inclusions on the fracture toughness of ceramic nanocomposites Abstract Agglomerations of carbon‐based inclusions and the low adhesion of inclusion‐matrix interfaces are commonly viewed as detrimental to the strength and fracture toughness of ceramic composites. While large, high‐power agglomerations indeed promote microcracking, our computations show that moderate agglomeration levels can enhance energy dissipation through Y‐junctions in inclusion networks. Focusing on high‐temperature Zr‐based reduced graphene oxide/ceramic nanocomposites, we use a polytopal cell complex (PCC) framework to analyze macrocrack bridging for 12 graphene precursor powders with distinct log‐normal size distributions. The simulations quantify how inclusion fraction, strip‐length statistics, and agglomeration power jointly determine the topology of percolation networks and their contribution to fracture resistance. The results rationalize experimental observations that uniform‐size precursor powders reduce harmful clustering while maximizing bridging. Dislocation‐based estimates indicate that, even under ideal architectures, crack‐bridging toughening is theoretically limited to a factor of 2–3, exceeding but consistent with the 30%–50% improvements typically reported. Ceramic ; Economies of agglomeration ; Fracture toughness ; Toughness ; Nanocomposite ; Percolation (cognitive psychology) ; Urban agglomeration ; Inclusion (mineral) ; Graphene Advanced ceramic materials synthesis ; Graphite, nuclear technology, radiation studies ; Fiber-reinforced polymer composites