jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Najib Abu-warda | Javier Bedmar | S. García-Rodríguez | Belén Torres | Joaquin Rams
Source: Metals (article, 2026-01-13)
Field: Materials Science — Metals and Alloys

Impact of Aggressive Environments and Processing Orientation on the Mechanical Performance of L-PBF 316L Stainless Steel This study addresses the limited understanding of how build orientation and aggressive environments jointly affect the mechanical reliability of L-PBF 316L stainless steel. Specimens were fabricated in vertical, edge, and flat orientations and exposed for 360 h to 1 M H2SO4, 3.5 wt.% NaCl, and dry air oxidation at 800 °C. Tensile tests and microstructural analyses revealed strong anisotropy: edge and flat builds showed higher tensile and yield strength, while vertical builds exhibited greater ductility. Aqueous environments caused surface degradation and moderate strength loss, most severe in vertical samples. High-temperature oxidation induced σ-phase precipitation, increasing tensile strength (~20%) but reducing ductility and yield strength. These findings highlight the critical role of building orientation and service conditions in ensuring long-term performance of L-PBF 316L stainless steel. Ultimate tensile strength ; Ductility (Earth science) ; Enhanced Data Rates for GSM Evolution ; Orientation (vector space) ; Yield (engineering) ; Degradation (telecommunications) Hydrogen embrittlement and corrosion behaviors in metals ; High Temperature Alloys and Creep ; Fatigue and fracture mechanics
Authors: F. Shaikh | Ashish Sambhaji Uzgare
Source: International Journal of Chemistry Research (article, 2026-01-01)
Field: Chemistry — Analytical Chemistry

TRACING ELEMENTS WITH PRECISION: A REVIEW OF INDUCTIVELY COUPLED PLASMA MASS SPECTROMETRY (ICP-MS) Inductively Coupled Plasma–Mass Spectrometry (ICP-MS) has established itself as a preeminent technique in analytical science, providing powerful capabilities for trace element and isotope analysis due to its outstanding sensitivity, accuracy, and multi-element detection. This review offers a comprehensive overview of ICP-MS, covering its fundamental principles and instrumentation. The technique functions by ionizing samples in an argon plasma and separating ions according to their mass-to-charge ratios, achieving detection limits at the parts-per-trillion level. ICP-MS finds applications across diverse areas, including environmental monitoring, food authentication, pharmaceutical and drug testing, forensic investigations, and biomedical research on toxic elements and metal bioaccumulation. Its capacity for isotopic ratio determination and species-specific analysis provides valuable insights into contamination pathways, metabolic mechanisms, material provenance, and cellular heterogeneity. By combining high sensitivity with precision and versatility, ICP-MS continues to advance modern analytical science, enabling comprehensive, high-throughput elemental and isotopic characterization across environmental, industrial, biomedical and life science domains. Tracing ; Characterization (materials science) ; Inductively coupled plasma mass spectrometry ; Mass spectrometry ; Analytical technique ; Analytical Chemistry (journal) ; Isotope ; Detection limit Analytical chemistry methods development ; Isotope Analysis in Ecology ; Mass Spectrometry Techniques and Applications
Authors: Maria Cabrero-Martí | Miquel Solà
Source: Physical Chemistry Chemical Physics (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Expanding aromaticity tests to include lowest-lying triplet excited states and charged and heterocyclic rings Aromaticity is a pivotal concept in chemistry arising from electron delocalization in closed-loop systems that confers extra energetic stabilization. Its direct observation is not possible, making its quantification challenging. To address this issue, several methods have been developed to quantify this non-observable property based on various physicochemical properties characteristic of these compounds. However, given the indirect nature of these measures, they do not always yield consistent or reliable aromaticity trends. Therefore, it is important to design tools that help identify which descriptors perform most effectively and put forward their weaknesses and strenghts. In a previous study (F. Feixas, E. Matito, J. Poater, M. Solà, On the performance of some aromaticity indices: a critical assessment using a test set, <i>J. Comput. Chem.</i>, 2008, <b>29</b>(10), 1543-1554.), we introduced a series of fifteen aromaticity tests that were used to analyze the advantages and drawbacks of a group of ten aromaticity descriptors. In this work, we propose to extent these initial tests of aromaticity with a series of thirteen tests related to excited state aromaticity, redox processes, and heterocyclic rings to evaluate the ability of twelve aromaticity descriptors. A comprehensive evaluation of the strengths and weaknesses of the analysed indicators of aromaticity reveals that electronic and magnetic indices perform most consistently, although the former show limitations when applied to oxidized species. Aromaticity ; Delocalized electron ; Electron delocalization ; Excited state ; Series (stratigraphy) ; Yield (engineering) Synthesis and Properties of Aromatic Compounds ; Photochemistry and Electron Transfer Studies ; Photochromic and Fluorescence Chemistry
Authors: Yulong Chen | Renjie Shao | Shan Zeng | Bing Li | Huanjun Hu
Source: npj Science of Food (article, 2026-02-06)
Field: Chemistry — Organic Chemistry

Unveiling key peak features for olive oil authentication utilizing Raman spectroscopy and chemometrics Adulteration of olive oil significantly compromises the interests of both producers and consumers, making its authentication a crucial challenge in the food industry. This study explored the potential of combining Raman spectroscopy with machine learning for discriminating various blended samples and quantifying olive oil content in mixtures. Raman features, such as peak intensities at specific shifts, were extracted from the spectra and analyzed using hierarchical cluster analysis (HCA) and correlation analysis (CA) to identify significant variations corresponding to altered proportions of olive oil. Qualitative and quantitative analyses were performed to classify 10 oil types and predict compositional ratios in binary and ternary blends, comparing different chemometric techniques and input features. Among these, the random forest (RF) model yielded a high classification accuracy (98.9%) and strong predictive performance, with coefficients of determination (R<sup>2</sup>) of 0.985 and 0.926 on the binary and ternary samples, respectively. The Shapley additive explanations (SHAP) algorithm was subsequently employed to assess the contribution of key Raman features to the prediction accuracy of superior models. Overall, this novel analytical framework highlights Raman features and offers a promising solution for real-time quality monitoring of olive oil products. Chemometrics ; Raman spectroscopy ; Ternary operation ; Olive oil ; Binary number ; Authentication (law) ; Pattern recognition (psychology) ; Key (lock) Edible Oils Quality and Analysis ; Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies
Authors: P. D. N. Boteju | C. M. Senanayake | K. G. L. R. Jayathunge
Source: Sustainable Food Technology (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Potential of utilizing plant stem waste as an excellent source of dietary fiber for novel food applications This review examines plant stem waste as a dietary fiber source, highlighting how stem structure, lignification, and green extraction methods affect fiber yield, functionality, and sustainable food use. Dietary fiber ; Fiber ; Extraction (chemistry) ; Food waste ; Food processing ; Sustainability Natural Fiber Reinforced Composites ; Food composition and properties ; Polysaccharides and Plant Cell Walls
Authors: Eleonora Amato | Vito Zago | Ciro Del Negro
Source: Annals of Geophysics (article, 2026-02-03)
Field: Materials Science — Materials Chemistry

Simulations of Complex Visco-Thermal Fluids with an AI-based CFD Emulator Physical phenomena evolve in space and time following governing laws with a high level of complexity and mathematical models can help to make accurate predictions of their behavior, describing complex fluids with a good balance between accuracy and computational costs. We have long used detailed Computational Fluid Dynamics (CFD) models to simulate complex dynamics with high accuracy, but these simulations typically entail high computational costs, resulting in long execution times and the use of expensive computational resources. To overcome these limitations, we have recently integrated CFD with Artificial Intelligence (AI), in the so-called Emulators, to expand the scope of fluid modeling, improving its performance. Here, we present an AI-based CFD emulator for Smoothed Particle Hydrodynamics (SPH) simulations, which uses an Artificial Neural Network (ANN) to enhance simulations of complex fluids with viscous and thermal components. We show the model capability to reproduce the spatio-temporal evolution of natural visco-thermal fluids. In addition, we demonstrate the emulator capacity to generalize its applicability to problems not encountered during the training phase. We also conduct a detailed error evaluation, showing that the minimal observed discrepancies do not compromise model accuracy and robustness, especially given the theoretical and computational advantages. These key points open this emulator to practical applications for natural fluids, e.g., oil, honey, or geophysical fluids such as lava, enhancing fluidmodeling performance and extending functionalities. The innovation of this method improves studies in the field of numerical simulations, for example in its use as a digital Twin of a physical phenomenon, for the study of the dynamics of the system without the need of large costs for field analysis or laboratory experiments. Computational fluid dynamics ; Fluid dynamics ; Computational model ; Artificial neural network ; Field (mathematics) ; Complex fluid ; Computational complexity theory ; Complex system ; Scope (computer science) Block Copolymer Self-Assembly ; Fluid Dynamics Simulations and Interactions ; Computer Graphics and Visualization Techniques
Authors: Krzysztof Dwiecki | Ewa Bąkowska | Erwann Durand | J. Lecomte | Pierre Villeneuve
Source: Current Opinion in Colloid & Interface Science (article, 2026-02-07)
Field: Chemistry — Organic Chemistry

Recent advances in lipid oxidation of bulk oils: Current insights and unresolved challenges Lipid oxidation remains a major challenge in the food industry due to its detrimental effects on nutritional value, shelf life, and safety of edible oils. While the radical-based chemical mechanisms of lipid oxidation have been extensively studied, recent research highlights the importance of physical and supramolecular factors in bulk oils. This review provides an updated synthesis of current knowledge on lipid oxidation pathways, antioxidant mechanisms, and insights into the role of association colloids, particularly reverse micelles in bulk oils. Evidence indicates that association colloids act as reaction centers by concentrating water, hydroperoxides, and pro-oxidant metals at the oil–water interface, thereby accelerating radical initiation and propagation. Conversely, these interfacial structures may also enhance oxidative stability by promoting the targeted localization and synergistic action of antioxidants at critical reaction sites. The review discusses how intrinsic factors such as oil composition, amphiphilic constituents, water content, and oxygen solubility, together with extrinsic conditions, shape colloidal organization and oxidation kinetics. Special attention is given to the molecular structure of antioxidants, including polarity, spatial orientation of functional groups, and their impact on antioxidant efficiency, induction period extension, cut-off effects, and synergism. Recent advances in monitoring oxidation, including approaches targeting antioxidant depletion, are also addressed. Finally, key knowledge gaps and future research directions are identified, emphasizing the need for advanced structural characterization techniques and kinetic modeling to elucidate colloidal dynamics during oxidation. A deeper understanding of these interfacial and supramolecular phenomena is essential for developing more effective and sustainable strategies to control oxidation in bulk oils. Supramolecular chemistry ; Lipid oxidation ; Antioxidant ; Amphiphile ; Micelle Edible Oils Quality and Analysis ; Lubricants and Their Additives ; Antioxidant Activity and Oxidative Stress
Authors: Pedro Juan-Royo | Graeme M. Day
Source: Chemical Science (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

From crystal structure prediction to polymorphic behaviour: Monte Carlo threshold mapping of crystal energy landscapes Crystal structure prediction has developed into a valuable tool for anticipating the likely crystalline arrangement that a molecule will adopt, with applications in materials discovery and polymorph screening. Although powerful, crystal structure prediction is usually limited to locating the local minima of the crystal energy surface. We demonstrate how, by mapping the energy barriers between structures, applying the Monte Carlo threshold algorithm provides a richer description of the crystal energy landscape which allows us to rationalize the differences in experimental conditions under which different crystal polymorphs are observed. As a demonstration, we apply the method to three polymorphic polycyclic aromatic hydrocarbons, phenanthrene, pyrene, and perylene. Crystal structure prediction ; Maxima and minima ; Monte Carlo method ; Crystal structure ; Crystal (programming language) ; Energy landscape Machine Learning in Materials Science ; Crystallography and molecular interactions ; X-ray Diffraction in Crystallography
Authors: Sameek Singh | Kien Tran | Endri Karaj | Basudeb Mondal | Wenzhi Tian | Surached Siriwongsup | Shaimaa H. Sindi | Uttam Dhawa | Kaushik Pal | Veronika M. Shoba | Sunny Shi | Anna Lian | Jody Mou | Myeonghoon Han | Prashant Singh | Nicholas F. Polizzi | Amit Choudhary
Source: Angewandte Chemie International Edition (article, 2026-02-11)
Field: Chemistry — Organic Chemistry

Lysine Targeting Group‐Transfer Chimeras for Proximity Induction Nature employs post-translational modifications (PTMs) to induce proximity between proteins by engendering new interactions. Furthermore, we find that protein ligands are invariably proximal to a lysine. Inspired by these two observations, we developed group-transfer chimeras (GRCs) that append a moiety-of-interest to the lysine side chain. GRCs employ a protein's ligand and a handle with a transferase-type reactivity to modify the proximal lysine. Contemporary lysine-targeting group-transfer handles were incompatible with GRCs due to their hydrolytic instability, large size, high reactivity, and synthetic incompatibility with diverse ligands. Accordingly, we developed an N-(sulfonyl)-N-(trifluoroethyl)-ethanamide (SuFA) handle that is stable, small, and exhibits tunable reactivity and synthetic compatibility with diverse ligands and proteins. Using GRCs that group-transfer binders of tags (e.g., HaloTag, FKBP) onto proteins overexpressed in cancer cells, we displayed these binders on the surface of the cancer cell. With a universal T cell engager (UniTE) that binds to the displayed ligands and T cells, these GRCs induced proximity between cancer cells and cytotoxic T cells, leading to the latter's activation. We envision the GRC platform to find utility in basic research and biomedicine. Lysine ; Cytotoxic T cell ; Cancer cell ; Ligand (biochemistry) ; HEK 293 cells ; Protein–protein interaction ; Cell Click Chemistry and Applications ; Protein Degradation and Inhibitors ; Biochemical and Structural Characterization
Authors: Can Wu | Wenting Xu | Zhizhao Song | Qingyun Ma | Qingjun Guan | Xuhui Qi | Xiaoya Li | Chengpeng Yang | Honghu Tang
Source: Molecules (article, 2026-01-30)
Field: Materials Science — Biomaterials

Purification of Synthetic Gypsum: Techniques and Mechanisms Synthetic gypsum (SG) is produced in massive quantities, yet hazardous impurities limit its reuse. This review summarized the impurity types in various SGs and the corresponding removal methods. Physical methods, such as washing, screening, magnetic separation, and others, exploit solubility and size/density differences to remove soluble salts and particulates. Chemical methods, including acid leaching, precipitation/solidification, and so on, can dissolve or immobilize phosphates, fluorides, and heavy metals. Flotation utilizes the differences in the physicochemical properties of solid surfaces to remove insoluble impurities. The thermal treatment is mainly used to decompose organics and improve whiteness. Microbial methods achieve environmentally friendly cleanup through metabolic leaching or microbially induced carbonate precipitation. The phase-transformation method is a recently developed method that can achieve synergistic effects of deep impurity removal and high-value utilization by reconstructing gypsum crystals to release co-crystallized impurities. Most impurity-removal methods target only a single type of impurity. At present, purifying SG requires a combination of multiple methods, which is not recommended from a cost perspective. Subsequent research on removing impurities from SG should focus on simultaneously removing multiple major impurities in a single process, as well as the synergistic effects between impurity removal and the high-value utilization of gypsum. Impurity ; Gypsum ; Hazardous waste ; Leaching (pedology) ; Environmentally friendly ; Dissolution ; Solubility Calcium Carbonate Crystallization and Inhibition ; Microbial Applications in Construction Materials ; Bone Tissue Engineering Materials
Authors: Lea Jiang | Chokri Cherif | Michael Wöltje
Source: Journal of Functional Biomaterials (article, 2026-01-21)
Field: Materials Science — Biomaterials

Fibrous Biomaterial Scaffold for Tympanic Membrane Repair: Microarchitectural Engineering and Structure Function Performance Tympanic membrane (TM) perforations, arising from infections, injuries, or chronic otitis media, remain a frequent clinical finding and can lead to hearing problems when the tissue does not regenerate adequately. Although autologous grafts are still the standard option for repairing persistent defects, they come with well-known limitations. Beyond the need for additional harvesting procedures, these grafts rarely reproduce the intricate, fibrous layering of the native TM, which can compromise sound transmission after healing. In search of alternatives, fibre-based scaffolds have attracted considerable interest. The primary advantage of this material is the level of structural control it affords. The fibre orientation, porosity, and overall microarchitecture can be adjusted to replicate the organisation and mechanical behaviour of the natural membrane. A range of biocompatible polymers-among them silk fibroin, poly(ε-caprolactone), poly(lactic acid), and poly(vinyl alcohol) and their composites-provide options for tuning stiffness, degradation rates, and interactions with cells, making them suitable building blocks for TM repair constructs. This review provides a comprehensive overview of contemporary fabrication methodologies, namely electrospinning, additive manufacturing, melt electrowriting, and hybrid strategies. In addition, it offers a detailed discussion of the evaluation procedures employed for these scaffolds and discusses how scaffold structure affects later performance. Mechanical testing, microstructural imaging, and in vitro biocompatibility assays help to determine how closely a construct can approach the performance of the native tissue. Bringing these elements together may support the gradual translation of fibre-based TM scaffolds into clinical practice. Scaffold ; Biomaterial ; Biocompatibility ; Biocompatible material ; 3d printed ; Layering Silk-based biomaterials and applications ; Ear Surgery and Otitis Media ; Electrospun Nanofibers in Biomedical Applications
Authors: Shifei Zhang | Lina Gao | Yidan Zhao | Yongdong Wang | Bo Wang | Junjie Li | Jiaxi Duan | Dewen Cheng | Cheng-Wei Qiu | Yongtian Wang | Tong Yang | Lingling Huang
Source: Opto-Electronic Science (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Integrated metasurface-freeform system enabled multi-focal planes augmented reality display The advent of artificial intelligence (AI) has propelled augmented reality (AR) display technology to a pivotal juncture, positioning it as a contender for the next generation of mobile intelligent terminals. However, the pursuit of advanced AR displays, particularly those capable of delivering immersive 3D experiences, is significantly hindered by the performance limitations of current hardware and the complexity of system integration. In this study, we present an innovative multi-focal plane AR display system that integrates a non-orthogonal polarization-multiplexing metasurface, freeform optical elements, and an OLED display screen. All optical elements are integrated into a single solid-state architecture, based on a joint optimization design approach of ray tracing and diffraction theory. The multi-focal plane AR visual effect is realized by the compact and multiplexing metasurface, which performs distinct phase functions across diverse polarization channels. Meanwhile, freeform surfaces offer ample design flexibility for the collaborative optimization of multi-focal plane imaging and the see-through systems. Followed by a mechanical design and prototype assembly, we demonstrate the system's capabilities in real-time and multi-focal plane display. The digital images at all virtual image distances seamlessly integrate with the real environment, fully exhibiting the system's high parallelism and real-time interactivity. With the innovative design concept and joint design method, we believe that our work will spur more innovative and compact intelligent solutions for AR displays and inject new vitality into hybrid optical systems. Augmented reality ; Virtual reality ; Flexibility (engineering) ; Multiplexing ; Workspace ; Rendering (computer graphics) ; Virtual image ; Ray tracing (physics) Metamaterials and Metasurfaces Applications ; Advanced Optical Imaging Technologies ; Advanced Wireless Communication Technologies