jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nicolas Spiesshofer | Elle W. Wyatt | Zoltan Sztranyovszky | Caleb Todd | T. V. Mykytiuk | James W. Beattie | Rowena Davies | Rakesh Arul | Viv Lindo | Thomas F. Krauss | Angela Demetriadou | Jeremy J. Baumberg
Source: Optica (article, 2025-07-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Tailoring ultrahigh index plasmonic combinatorial metamaterials for SEIRA and SERS by tuning the fill fraction Plasmonic materials with strong mid-infrared resonances allow enhanced molecular sensing, but obtaining the required high field enhancements in easily constructed geometries is challenging. Multilayer aggregates (MLaggs) of close-packed gold nanoparticles (AuNPs) exhibit strong extinction resonances that enhance both surface-enhanced Raman (SERS) and IR absorption (SEIRA) spectroscopies. Here, we show that these simply fabricated MLaggs behave as low-loss high refractive index ( n ) metamaterials in the mid-infrared and that they can reach a refractive index of n &gt;10. By admixing silver nanoparticles (AgNPs) with AuNPs and co-aggregating them, we demonstrate combinatorial metamaterials with near-perfect absorption and controlled linewidth. By selective dissolution, we are able to control the aggregate fill fraction and tune both the SEIRA resonance and the refractive index. Dissolution of the AgNPs leads to more porous aggregates, which enable adsorption and detection of larger analytes, making MLaggs useful for healthcare sensing applications. Plasmon ; Metamaterial ; Materials science ; Nanotechnology ; Fraction (chemistry) ; Index (typography) ; Optoelectronics ; Computer science ; Chemistry ; Organic chemistry Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Optical Wireless Communication Technologies
Authors: Anton Maraldo | James H. Torpey | Sasha L. Evans | Aditya Rawal | Jeffery L. Yarger | Rivka L. Isaacson | Christopher P. Marquis | Sean J. Blamires
Source: Frontiers in Arachnid Science (article, 2025-01-21)
Field: Materials Science — Biomaterials

Biochemical methods for producing and characterising recombinant spider silks Here, we review the processes involved in producing and assessing the quality of recombinant spider silk proteins (spidroins) and the challenges associated with their synthesis and spinning into robust fibres. We provide an overview of the techniques used to produce the proteins, from gene synthesis to expression in various host organisms. Evidence suggests that the N- and C-terminal regions of spidroins are of utmost importance for fibre assembly and the repetitive domains are responsible for the unique mechanical properties in both native and recombinant versions of spider silks. We describe the role of liquid–liquid phase separation (LLPS) in spidroin assembly and its importance in subsequent fibre formation. Recent developments in recombinant spidroin production and co-expression strategies for improving yield and scalability are highlighted. Techniques such as mass photometry and size exclusion chromatography (SEC) for analysing protein purity and assembly behaviour are thereupon detailed. Finally, we address the role that predictive computational methods play in the future of designing novel and high-performing materials inspired by spidroins. Spider ; Recombinant DNA ; Spider silk ; Polymer science ; Biology ; Chemistry ; Zoology ; Biochemistry Silk-based biomaterials and applications ; Phytochemical compounds biological activities ; Biochemical and Structural Characterization
Authors: Zhen Ning | Chengjin Shi | Die Wu | Yu Zhang | Jiansu Pu | Yanlin Zhu
Source: Materials (article, 2025-11-02)
Field: Materials Science — Surfaces, Coatings and Films

TD U-Net for Shell Segmentation and Thickness Evaluation in Core–Shell TiO2 TEM Images Titanium dioxide (TiO<sub>2</sub>) is widely used in coatings, plastics, rubber, papermaking, and other industries. The microstructural characteristics of its inorganic shell largely determine the overall performance of the product, significantly affecting optical behavior, dispersibility, weather resistance, and stability. Currently, coating quality evaluation in industry still relies primarily on manual inspection, lacking objective, standardized, and reproducible quantitative methods. This study focuses on lab-prepared core-shell TiO<sub>2</sub> powders comprising a TiO<sub>2</sub> core and a thin inorganic shell enriched in alumina/silica. This study presents Titanium Dioxide U-Net (TD U-Net)-a deep learning approach for transmission electron microscopy (TEM) image segmentation and shell thickness evaluation of core-shell structured TiO<sub>2</sub> particles. TD U-Net employs an encoder-decoder architecture that effectively integrates multi-scale features, addressing challenges such as blurred boundaries and low contrast. We constructed a dataset of 1479 TEM images processed through a six-step workflow: image collection, data cleaning, annotation, mask generation, augmentation, and cropping. Results show that TD U-Net achieves a Dice coefficient of 0.967 for segmentation accuracy and controls shell-thickness measurement error within 5%, significantly outperforming existing image-processing models. An intelligent analysis system developed from this technology has been successfully applied to titanium dioxide product quality assessment, providing an efficient and reliable automated tool for coating-process optimization and quality control. Segmentation ; Titanium dioxide ; Shell (structure) ; Image segmentation ; Coating ; Titanium ; Image quality ; Image (mathematics) Electron and X-Ray Spectroscopy Techniques ; Advanced Electron Microscopy Techniques and Applications ; Surface Roughness and Optical Measurements
Authors: Margarita Rodríguez | Claudia E. Echeverri-Cuartas | Marta Elena Londoño López | Natalia Moreno Castellanos
Source: Revista EIA (article, 2025-01-01)
Field: Materials Science — Biomaterials

Andamio reticulado a base de alginato-quitosano funcionalizado con VEGF-A para el soporte de las células betapancreáticas La diabetes se ha convertido en una enfermedad pública mundial que afecta la calidad de vida de las personas y exige altos costos en los sistemas de salud. La diabetes aumenta los niveles de glucosa en sangre e induce el uso inadecuado de insulina; los tratamientos actuales no son muy eficaces para tratar esta enfermedad. En este estudio, se desarrolló un andamio poroso de alginato (Alg)/quitosano (Ch), reticulado con genipina (GEN), funcionalizado con factor de crecimiento endotelial (VEGF-A) mediante acoplamiento carbodiimida-Ch, para soportar las células beta-pancreáticas. Se utilizaron caracterizaciones como microscopía electrónica de barrido (SEM) y espectroscopia infrarroja por transformada de Fourier (FTIR) para identificar grupos funcionales y observar la morfología y porosidad de los andamios. Se realizaron pruebas de velocidad de degradación e hinchazón y luego se realizaron pruebas biológicas como viabilidad celular, citotoxicidad celular y ensayos de proliferación en todas las muestras. Los andamios obtenidos tenían una estructura similar a una esponja con poros interconectados con diámetros entre los rangos 25-280 μm, adecuados para el crecimiento de células beta pancreáticas y la formación de islotes. Estas matrices se degradan, son estables en el tiempo y permiten el cultivo celular manteniendo la viabilidad y proliferación de las células beta. Adicionalmente, genera una protección contra la muerte celular induciendo un ambiente apropiado para preservar la viabilidad e incluso por la acción del VEGF en combinación con GEN, induce la proliferación de células beta. Este enfoque permite el diseño de una matriz con propiedades biomiméticas para el cultivo de células productoras de insulina y representa un avance significativo en el campo de la medicina y las ciencias de la vida. VEGF receptors ; Medicine ; Cancer research Electrospun Nanofibers in Biomedical Applications
Authors: Hefa Zhu | Zhiguo Xing | Haidou Wang | Longlong Zhou | Wei Peng | Qingbo Mi | Han Dong | Weiling Guo
Source: Chinese Journal of Mechanical Engineering (article, 2025-08-18)
Field: Materials Science — Materials Chemistry

Research Progress of Microstructure Regulation on the Electrical Properties of PZT Ferroelectric Films Abstract Lead zirconate titanate (PbZr x Ti 1- x O 3 , PZT) ferroelectric films possess remarkable characteristics such as high residual polarization, high dielectric constant, and high piezoelectric coefficient and have great application prospects in modern electronics, communications, medical care, and military fields. At present, the microstructure changes of PZT ferroelectric thin films have a significant impact on their electrical properties. Therefore, this work summarizes the influences of geometric structure (thickness, porosity), composition structure (Zr/Ti ratio, doping), and grain structure (grain size, grain boundaries, orientation) on the electrical properties of PZT ferroelectric thin films. The results show that the changes in thickness and porosity have a significant impact on the electrical properties of PZT ferroelectric films. Especially, the actual application scenarios and preparation processes determine the required geometric dimensions and structures of PZT ferroelectric films. The Zr/Ti ratio and doping mainly affect the electrical properties by influencing the phase composition of PZT ferroelectric films. The changes in grain size, boundary structure, and orientation dependence mainly have a certain degree of influence on the domain response and domain switching behavior of PZT ferroelectric thin films. In conclusion, different structures have different influence effects on the dielectric, ferroelectric, and piezoelectric properties of PZT ferroelectric films. The way the tiny structure affects how PZT thin films work was shown, helping to guide the design of ferroelectric thin film devices. In order to further study and apply piezoelectric ceramic devices, it is crucial to have an in-depth understanding of the relationship between the structure and performance of piezoelectric ceramic devices. Materials science ; Microstructure ; Ferroelectricity ; Composite material ; Optoelectronics ; Dielectric Ferroelectric and Piezoelectric Materials ; Multiferroics and related materials ; Microwave Dielectric Ceramics Synthesis
Authors: Geethika Gudapati | V. Sridevi | Tanmayi Bora | M. Tukaram Bai | Anupama Kavya Priya Dwarapureddy | Giri Prasad Reddi | Husam Talib Hamzah
Source: Food Technology and Biotechnology (review, 2025-02-26)
Field: Materials Science — Biomaterials

An Overview of Biorefinery Waste for Microbial Production of Green Plastic in a Circular Economy An increasing amount of plastics is being used due to the growing population. Plastic waste pollution has become a major problem, especially in the marine environment, due to the increasing global demand for plastic materials. Bioplastics produced from waste in biorefineries offer a sustainable alternative to traditional plastics by recycling materials that are normally thrown away in the food, farming and manufacturing industries. This technology tackles both the plastic waste crisis and the inefficient use of biomass. By recycling biorefinery waste into bioplastics, the impact on the environment can be reduced, waste minimised and less fossil fuel consumed. Improving material qualities, reducing production costs and optimising the efficiency and scalability of these processes are all ongoing challenges. This review focuses on waste biorefineries for bioplastic synthesis as a sustainable approach to the circular bioeconomy. It also provides a better understanding of environmental sustainability, societal well-being and technological advances in the utilisation of various biorefineries as different substrates and methods for bioplastic synthesis. Bioplastic ; Biorefinery ; Plastic pollution ; Circular economy ; Sustainability ; Production (economics) ; Waste management ; Environmental pollution ; Environmental science ; Natural resource economics ; Business ; Engineering ; Pollution ; Biofuel ; Economics ; Environmental protection biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Nanocomposite Films for Food Packaging
Authors: Rose E. Smiley | K. Mason | R. Lam | Alice R. Giem | Daniella Ingargiola | Brian A. Wuille Bille | David Prendergast | Jesús M. Velázquez
Source: Materials Advances (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Microwave-assisted intercalation: exploring electronic and structural features of metastable MMo<sub>6</sub>S<sub>8</sub> (M = Ag, Sn) This study presents a facile method to synthesize Type I Chevrel phases and utilizes X-ray absorption spectroscopy to reveal how intercalant identity can modify charge transfer and cluster anisotropy. Intercalation (chemistry) ; Metastability ; Materials science ; Crystallography ; Chemical physics ; Chemistry ; Inorganic chemistry ; Organic chemistry Inorganic Chemistry and Materials ; MXene and MAX Phase Materials ; Advancements in Battery Materials
Authors: Marpongahtun Marpongahtun | Tjut Siti Safhura | Amir Hamzah Siregar
Source: Journal of Chemical Natural Resources (article, 2025-05-31)
Field: Materials Science — Materials Chemistry

Exploring the Effect of Ethylenediamine Concentration on the Optical Properties of Carbon Dots Synthesized from Candlenut Shell Biomass Carbon dots are fluorescent nanomaterials with a size below 10 nm, known for their good optical properties, including fluorescence emission and biocompatibility which are very suitable for various applications, such as bioimaging, sensors and optoelectronics. This research aims to synthesize CDs and NCDs from candlenut shells as a biomass source using the hydrothermal method at 230°C for 6 hours with the addition of ethylenediamine (EDA) as a nitrogen dopant at concentrations of 4%, 8% and 12% (v/v). The study also evaluates the effect of varying EDA concentrations on the optical properties of CDs and NCDs. Based on the results, under 365 nm UV irradiation, all samples showed bluish green fluorescence. The results of UV-Vis analysis showed an absorption peak at a wavelength of 271 nm for CDs and additional absorption peaks at 274 nm and 324 nm for NCDs, corresponding to the π–π* and n–π* transitions, respectively. Increasing EDA concentration is associated with a gradual decrease in the absorption intensity of CDs and NCDs. The photoluminescence results showed the CDs emission peak at 494 nm with a quantum yield (QY) of 18% and the strongest fluorescence at 498 nm for NCDs 8% with the highest QY of 27%. The results of FTIR analysis showed -OH, C=O and C=N functional groups in all samples and additional -NH functional groups in the NCDs, indicating successful nitrogen incorporation. Ethylenediamine ; Shell (structure) ; Carbon fibers ; Biomass (ecology) ; Materials science ; Chemical engineering ; Nanotechnology ; Chemistry ; Inorganic chemistry ; Composite material ; Geology ; Composite number Carbon and Quantum Dots Applications ; Polydiacetylene-based materials and applications
Authors: Nur Intan Saidaah Mohamed Yusof | Kalavathy Ramasamy | Fazlin Mohd Fauzi
Source: Neurochemical Research (article, 2025-08-21)
Field: Chemistry — Organic Chemistry

Elucidating the Neuroprotective Mechanism of 5,7-Dimethoxyflavone and 5,7’,4’-Trimethoxyflavone Through In Silico Target Prediction and in Memory-Impaired Mice 5,7-dimethoxyflavone (DMF) and 5,7,4'-trimethoxyflavone (TMF) are natural methoxyflavones known for their potential neuroprotective properties. This study investigates their mechanisms of action through in silico target predictions and memory-impaired mice. Ligand-based and proteochemometric models were used to predict potential protein targets, followed by molecular docking using PyRx and Discovery Video Visualiser. To validate these findings, DMF and TMF (10/20/40 mg/kg) were administered to LPS-induced mice for 21 days. Morris Water Maze (MWM) and Open Field Test (OFT) were conducted to assess cognitive functions. Expression levels of predicted targets were determined by RT-PCR, and enzyme-linked immunosorbent assay was conducted to measure BDNF, Aβ, and pro-inflammatory markers. GABRA1, GABRG2, 5-HT<sub>2A</sub>, IGF1R, and 5-HT<sub>2C</sub> were predicted for DMF. Meanwhile, GABRG2, 5-HT<sub>2A</sub>, 5-HT<sub>2B</sub>, and 5-HT<sub>2C</sub> were predicted for TMF. Molecular docking showed DMF formed strong binding interactions with GABRA1 and GABRG2 (9.40 kcal/mol), interacting with His102 and Tyr160. Meanwhile, TMF formed strong binding interactions with 5-HT<sub>2A</sub> (- 9.30 kcal/mol) interacting with Ser242 and Ser159. TMF enhanced spatial memory in MWM, while both compounds reduced anxiety-related measures in OFT. DMF significantly upregulated hippocampal mRNA of GABRA1, 5-HT<sub>2A</sub>, and 5-HT<sub>2C</sub>, while TMF increased GABRG2, 5-HT<sub>2B</sub>, and 5-HT<sub>2C</sub> expression. Additionally, both compounds significantly reduced Aβ, IL-1β, IL-6, and TNF-α levels, while DMF-treated groups significantly increased BDNF level. These findings suggest that DMF and TMF exert neuroprotective effects when administered prophylactically, acting through distinct molecular targets involved in neurotransmission and inflammation. Their multi-target activity makes them promising candidates for early intervention in Alzheimer's disease. Neuroprotection ; Neurology ; Neurochemistry ; Neuroscience ; In silico ; Mechanism (biology) ; Biology ; Medicine ; Biochemistry ; Physics Free Radicals and Antioxidants ; Biochemical effects in animals ; Natural product bioactivities and synthesis
Authors: Adrien Gallego | Matthieu Lavayssiere | Xavier Bantreil | Nicolas Pétry | Julien Pinaud | Olivia Giani | Frédéric Lamaty
Source: RSC Mechanochemistry (article, 2025-11-28)
Field: Chemistry — Physical and Theoretical Chemistry

Smart mechanochemistry: optimizing amino acid acylation with one factor at a time, design of experiments and machine learning methods A mechanochemical acylation of unprotected amino acids was optimized with three different methods: OFAT, DoE and BO. Acylation ; Amino acid ; Design of experiments ; Response surface methodology ; Support vector machine Crystallography and molecular interactions ; Force Microscopy Techniques and Applications ; Machine Learning in Materials Science
Authors: Jiawei Cai | Huijuan Li | Shikai Li | Yan Chengyue | Zhe Liu | Zhiyong Zhang | Bin Cheng
Source: Scientific Reports (article, 2025-12-13)
Field: Materials Science — Biomaterials

Developing 400 MPa grade biodegradable Zn alloys with superior osteogenic and antibacterial performance Biodegradable zinc (Zn) has emerged as a promising orthopedic implant material, capable of supporting bone repair while gradually resorbing in the body. Yet, its relatively low strength has restricted its use in high load-bearing scenarios. The addition of lithium (Li) improves mechanical strengths of Zn alloys, of which are comparable to that of pure Ti. Here, we present a Zn-0.8Li alloy system enhanced through alloying and equal channel angular pressing (ECAP). By tuning the processing temperature, the alloys attained superior mechanical performance, with tensile strength reaching 434 MPa and elongation of 65% at 200 °C. The dominant strengthening mechanisms were identified as grain boundary strengthening and dislocation strengthening. Corrosion assessment revealed a stable degradation rate of ~ 5.5 μm/year after 30 days of immersion, with localized attack at second phases and grain boundary corrosion in ultrafine-grained microstructures (T-150 and T-200 samples), whereas a fine-grained microstructure (T-300 sample) exhibited suppressed boundary corrosion. In vitro studies confirmed excellent cytocompatibility and osteogenic potential of the ECAP-treated Zn-0.8Li alloys compared with bioinert Ti. Furthermore, antibacterial tests demonstrated inhibition rates exceeding 90% against E. coli colonies. Microstructure ; Ultimate tensile strength ; Grain boundary ; Corrosion ; Alloy ; Elongation ; Zinc ; Nanoscopic scale Magnesium Alloys: Properties and Applications ; Microstructure and mechanical properties ; Titanium Alloys Microstructure and Properties
Authors: Anwar Algamal | Umesh Gandhi | Ala Qattawi
Source: Shape Memory and Superelasticity (article, 2025-06-11)
Field: Materials Science — Materials Chemistry

Influence of In Situ and Ex Situ Heat Treatments on the Mechanical Behavior of LPBF-Fabricated Fe–Mn–Al–Ni Shape Memory Alloys Abstract This study investigates the fabrication of Fe–Mn–Al–Ni iron-based shape memory alloys (SMAs) using laser powder bed fusion (LPBF) across a range of laser powers. The influence of energy input on material properties was assessed by evaluating the resulting volumetric energy density. Samples were produced under both as-built conditions and subjected to in situ and ex situ treatments to enhance performance. Mechanical properties were characterized through macro-indentation, Profilometry-based Indentation Plastometry (PIP), and nanoindentation techniques, while room-temperature compression testing was conducted to assess superelastic behavior. Microstructural and phase variations were analyzed using X-ray diffraction (XRD) and scanning electron microscopy (SEM). The results showed that increasing the fabrication power improved the mechanical properties of the as-built SMAs, with the optimal performance achieved at 175 W. In situ/ex situ treatments led to a significant reduction in strength but enhanced ductility by up to 39%, along with a 52% reduction in microhardness for samples fabricated at 175 W. Overall, the LPBF-produced Fe–Mn–Al–Ni SMAs exhibited good strain recovery and stability, comparable to those produced by conventional methods. This work demonstrates the potential of LPBF in developing Fe–Mn–Al–Ni SMAs with properties matching traditionally manufactured counterparts. Graphical Abstract Mechanical behavior and microstructural features of LPBF-fabricated Fe–Mn–Al–Ni SMA under the effects of in situ and ex situ treatments In situ ; Materials science ; Metallurgy ; Chemistry Shape Memory Alloy Transformations ; High Entropy Alloys Studies ; Advanced materials and composites
Authors: Vladimír Kršjak | Yamin Song | Veronika Lučanská | Stanislav Sojak | Pavol Noga | Martin Petriska | Branislav Stríbrnský | Sofia Gašparová | Igor Neuhold | Matej Kubiš | Dušan Vaňa | Tielong Shen | Vladimı́r Slugeň | Jarmila Degmová
Source: npj Materials Degradation (article, 2025-07-05)
Field: Materials Science — Materials Chemistry

Understanding early-stage radiation damage in nuclear alloys through positron annihilation and semi-empirical modeling Abstract The recognition of the early stage of radiation aging and the aggregation of point defects into nanometric clusters pose significant challenges for nuclear structural materials. In this study, we employ positron annihilation spectroscopy to characterize various alloys exposed to severe radiation conditions. A novel approach to data evaluation enables a detailed description of helium-vacancy interactions in defects, ranging from small vacancy clusters to nanometric helium bubbles. This study combines two irradiation experiments to clarify the role of ballistic damage, helium production rates, and irradiation temperature. The obtained data serve as the foundation for a new semi-empirical model that elucidates positron trapping at helium-vacancy clusters and provides realistic experimental equilibrium helium-to-vacancy ratios across a wide range of defect sizes. This work complements and expands current understanding of helium bubble swelling in nuclear materials, offering new insights into the microstructural evolution of materials for the next generation of nuclear facilities. Stage (stratigraphy) ; Positron annihilation ; Nuclear physics ; Radiation damage ; Nuclear radiation ; Radiation ; Annihilation ; Nuclear engineering ; Positron ; Materials science ; Physics ; Engineering ; Geology Fusion materials and technologies ; Nuclear Materials and Properties ; Graphite, nuclear technology, radiation studies