jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xingyu Gao | William Yi Wang | Xin Chen | Xiaoyu Chong | Jiawei Xian | Fuyang Tian | Lifang Wang | Huajie Chen | Yu Liu | Houbing Huang | Haifeng Song
Source: ArXiv.org (preprint, 2025-05-09)
Field: Materials Science — Materials Chemistry

ProME: An Integrated Computational Platform for Material Properties at Extremes and Its Application in Multicomponent Alloy Design We have built an integrated computational platform for material properties at extreme conditions, ProME (Professional Materials at Extremes) v1.0, which enables integrated calculations for multicomponent alloys, covering high temperatures up to tens of thousands of Kelvin, high pressures up to millions of atmospheres, and high strain rates up to millions per second. A series of software packages have been developed and integrated into ProME v1.0, including ABC (AI-Based Crystal search) for crystal structure search under pressure, SAE (Similar Atomic Environment) for disordered configuration modeling, MFP$^2$ (Multiphase Fast Previewer by Mean-Field Potential) for multiphase thermodynamic properties, HTEM (High-throughput Toolkit for Elasticity Modeling) for thermo-elastic properties, TREX (TRansport at Extremes) for electrical and thermal conductivity, Hippos (High plastic phase model software) for phase-field simulation of microstructure evolution under high strain rates, and AutoCalphad for modeling and optimization of phase diagrams with variable compositions. ProME v1.0 has been applied to design the composition of the quaternary alloys Platinum-Iridium-Aluminum-Chromium (Pt-Ir-Al-Cr) for engine nozzles of aerospace attitude-orbit control, achieving high-temperature strength comparable to the currently used Pt-Ir alloys but with significantly reduced costs for raw materials. ProME offers crucial support for advancing both fundamental scientific understanding and industrial innovation in materials research and development. Microstructure ; Aerospace ; Material properties ; Nozzle ; Thermal ; Alloy ; Structural material ; Material Design Solidification and crystal growth phenomena ; Machine Learning in Materials Science ; Advanced Materials Characterization Techniques
Authors: Amoon Jamzad (18481816) | Jade Warren (22272679) | Ayesha Syeda (22272682) | Martin Kaufmann (2069674) | Natasha Iaboni (22272685) | Christopher J. B. Nicol (5659033) | John F. Rudan (22272688) | Kevin Y. M. Ren (22272691) | David Hurlbut (22272694) | Sonal Varma (6262619) | Gabor Fichtinger (11193013) | Parvin Mousavi (5420)
Source: Figshare (article, 2025-09-18)
Field: Chemistry — Spectroscopy

MassVision:An Open-Source End-to-End Platform forAI-Driven Mass Spectrometry Imaging Analysis Mass spectrometry imaging (MSI) combines spatial and spectral data to reveal detailed molecular compositions within biological samples. Despite their immense potential, MSI workflows are hindered by the complexity and high dimensionality of the data, making their analysis computationally intensive and often requiring expertise in coding. Existing tools frequently lack the integration needed for seamless, scalable, and end-to-end workflows, forcing researchers to rely on local solutions or multiple platforms, which hinders efficiency and accessibility. We introduce MassVision, a comprehensive software platform for MSI analysis. Built on the 3D Slicer ecosystem, MassVision integrates MSI-specific functionalities while addressing general user requirements for accessibility and usability. Its intuitive interface lowers barriers for researchers with varying levels of computational expertise, while its scalability supports high-throughput studies and multislide data sets. Key functionalities include visualization, segmentation, colocalization, data set curation, data set merging, spectral and spatial preprocessing, statistical analysis, AI model training, and AI deployment on full MSI data. We detail the workflow and functionalities of MassVision and demonstrate its effectiveness through different experimental use cases such as exploratory data analysis, ion identification, and tissue-type classification on in-house and publicly available data from different MSI modalities. These use cases underscore MassVision’s ability to seamlessly integrate MSI data handling steps into a single platform and highlight its potential to reveal new insights and structures when examining biological samples. By combining cutting-edge functionality with user-centric design, MassVision addresses longstanding challenges in MSI data analysis and provides a robust tool for advancing the user’s ability to achieve biologically meaningful insights from MSI data. MassVision is freely available via 3D Slicer (documentation: https://SlicerMassVision.readthedocs.io/). The in-house MSI data have been made publicly available in MetaboLights with the identifier MTBLS12868. Workflow ; Scalability ; Interface (matter) ; Set (abstract data type) ; Software deployment ; Key (lock) ; Software ; Visualization ; Data set ; Curse of dimensionality Mass Spectrometry Techniques and Applications ; Advanced Proteomics Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Abbass Rammal | Shaza Haidar | Sara Youness | Mageda A. A. Sharafeddin
Source:  (article, 2025-12-11)
Field: Chemistry — Analytical Chemistry

Advanced AI Regression Models for Non-Destructive Prediction of Maize Chemical Composition via Mid-Infrared Spectra Data Maize is a cornerstone of global food security and nutrition, while also serving as a promising resource for smart manufacturing and bio-based industries. Its chemical composition determines nutritional value, shelf life, processing behavior, and suitability for breeding programs and industrial quality control. Traditional methods of compositional analysis are slow, expensive, destructive, and unsuitable for large-scale testing, highlighting the need for non-destructive, high-throughput approaches. In this study, we investigated the potential of mid-infrared (MIR) spectroscopy which enables detection of maize enzymes, for accurate prediction of maize composition. MIR spectra were acquired for 262 maize samples (1868 wavenumbers), targeting the prediction of five enzymatic activities: β-glucosidase, N-acetyl-β-glucosaminidase, phosphatase, peroxidase, and phenol oxidase. Spectral preprocessing included missing value removal, Savitzky–Golay smoothing, first derivative transformation, and standard normalization to reduce noise and correct baselines. Feature selection was performed using five complementary strategies: Variable Importance in Projection (1844/1868 features retained), Successive Projections Algorithm (62/1868), Uninformative Variable Elimination (1384/1868), Stepwise Selection (11/1868), and Competitive Adaptive Reweighted Sampling (618/1868). Regression models were then constructed using Partial Least Squares, Ridge, Lasso, and Elastic Net. The best-performing model, CARS-Lasso, achieved near-perfect predictive accuracy across all targets (R<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.999 for β-glucosidase, R<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.9991 for N-acetyl-β-glucosaminidase, R<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 1.000 for phosphatase, R<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.9991 for peroxidase, and R<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> = 0.9985 for phenol oxidase). These results demonstrate that advanced AI regression models combined with MIR spectroscopy provide a powerful non-destructive tool for compositional analysis of maize. Feature selection ; Normalization (sociology) ; Preprocessor ; Partial least squares regression ; Pattern recognition (psychology) ; Missing data ; Regression ; Projection (relational algebra) ; Linear regression Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Food composition and properties
Authors: Blanca Gema Silva García | Juan María Terrones Saeta | David Sales Lérida
Source: RODIN (Universidad de Cádiz) (article, 2025-10-01)
Field: Chemistry — Spectroscopy

Valorization of Polymeric Municipal Solid Waste for Thermal Insulation Applications in Building Construction Poster (P_ENG_06) in BEING SEA-EU Conference 2025 Book of Abstracts. Municipal solid waste ; Thermal insulation ; Building insulation ; Thermal ; Plastic waste Aerogels and thermal insulation ; Hygrothermal properties of building materials ; Environmental and Industrial Safety
Authors: Najafi, Fatemeh | Maleki-Hajiagha, Arezoo | Farsani, Nasim Kaveh | Tavakkol, Majed | Sharma, Akansha | Sheykholeslami, Seyedeh Elaheh | Farahmand, Faranak | Kazemi, Zahra Rostami | Katebi, Asal | Farmani, Ahmad Reza | Chalati, Tamim
Source: Greenwich Academic Literature Archive (University of Greenwich) (article, 2025-11-19)
Field: Materials Science — Biomaterials

Magnetic nanoparticles as promising materials for the future of medicine Magnetic nanoparticles ; Drug delivery ; Biocompatible material ; Nanomedicine ; Targeted drug delivery ; Nanoparticle ; Characterization (materials science) ; Drug Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Nanoparticles: synthesis and applications
Authors: Qianminghui Ren
Source: Applied and Computational Engineering (article, 2025-08-26)
Field: Materials Science — General Materials Science

The Possibility of Using Polylactic Acid and Polyhydroxyalkanoates to Replace the Normal Plastics in Life traditional plastics such as polypropylene (PP), polyethylene (PE), and car tire rubber (CTR) have been widely used in our lives, leading to significant microplastic pollution, particularly in major river systems in China like the Yangtze River Basin. These plastics possess highly durable and resistant properties that resist natural degradation, resulting in long-term environmental problems and ecological risks. This study investigates the possibility of replacing conventional plastics with biodegradable alternatives, especially polylactic acid (PLA) and polyhydroxyalkanoates (PHA). By comparing their degradation in water, environmental behavior, mechanical properties, and industrial production processes, the paper analyzes the potential of PLA and PHA to reduce microplastic emissions. The results show that although PLA and PHA exhibit superior biodegradability under specific environmental conditions, their thermal resistance and mechanical limitations hinder their full replacement of conventional plastics in demanding applications such as vehicle tires. However, through polymer blending, plasticization, and nanocomposite reinforcement techniques, significant improvements in heat and abrasion resistance can be achieved, pointing toward a future where biodegradable plastics could play a vital role in mitigating microplastic pollution. Polyhydroxyalkanoates ; Polylactic acid ; Bioplastic ; Polymer science ; Materials science ; Engineering ; Waste management ; Composite material ; Polymer ; Geology ; Bacteria Material Properties and Applications
Authors: Hualiang Xu | Tao Yang | Yuan Lei | Xiaowei Fu | Zhimeng Liu | Shanshan Li | Liang Jiang | Jingxin Lei
Source: Nature Communications (article, 2025-12-03)
Field: Materials Science — Polymers and Plastics

Mechanically-robust and humidity-tunable self-destructive polymers enabled by hydrogen-bond nanoconfinement Conventional materials typically maintain a stable solid state under specific application conditions. However, materials that combine high mechanical strength with reversible switching states are highly desirable for advanced technologies. Here, we present hydrogen-bond nanoconfined self-destructive polymers (HNSPs) that have robust mechanics and reversible solid-fluid switching capability at 25 °C. Upon exposure to moisture, HNSPs spontaneously transition from solid to fluid, with humidity-tunable switching rates. HNSPs with weight ratios (Rm) of 1.7 is 1.69 times higher self-destructive rate than those with Rm of 2.1, and at 90% relative humidity (RH), Rm=2.0 samples exhibit an 804.27% higher self-destructive efficiency than at 60% RH. Heating can reverse the fluid back to a solid, enabling reversible, humidity-programmable behavior. Mechanistically, large ordered hydrogen-bond clusters, reduced chain entanglement, and abundant hydrophilic groups collectively facilitate switching. This work provides a simple yet versatile strategy for designing robust, switchable self-destructive polymers, broadening their potential in next-generation devices. Polymer ; Work (physics) ; Solid-state ; Relative humidity ; Chain (unit) Polymer composites and self-healing ; Advanced Materials and Mechanics ; Hydrogels: synthesis, properties, applications
Authors: M. Vignolo
Source: Preprints.org (preprint, 2025-12-19)
Field: Materials Science — Polymers and Plastics

Microwave Heat Treatments in Advanced MaterialsPreparation at CNR-SCITEC Genova LABs: A Comprehensive Review The main theme of present comprehensive review paper is the microwave-assisted heat-ing (MWH) developed in CNR SCITEC laboratories in Genoa. By modifying a domestic microwave, this technique has been used to prepare various innovative materials through synthesis, sintering, or heating (foaming or melting). These materials include inorganic compounds like superconductive magnesium diboride (MgB2), as well as organic and or-ganic-inorganic composite. The review highlights the significant improvements in en-ergy efficiency, time saving, material properties, and environmental sustainability achieved through these processes. Specific applications discussed include the rotational molding of polyethylene powders, sintering of hydroxyapatite-based scaffolds, and the preparation of cork composites for sound-absorbing panels, expanded polystyrene com-posites for building elements, and polyvinylidene fluoride piezoelectric compo-sites. Future potential applications and market demand for these technologies are also explored. Polyvinylidene fluoride ; Raw material ; Expanded polystyrene ; Molding (decorative) ; Sustainability ; Microwave Polymer Foaming and Composites ; Magnesium Oxide Properties and Applications ; Advanced ceramic materials synthesis
Authors: Denise Bellisario | Luca Burratti | Luca Maiolo | Francesco Maita | Ivano Lucarini | Fabrizio Quadrini
Source: Journal of Composites Science (article, 2025-12-08)
Field: Materials Science — Polymers and Plastics

Compression Molding of Thermoplastic Polyurethane Composites for Shape Memory Polymer Actuation Background: Soft actuation relies on materials that are lightweight, flexible, and responsive to external stimuli. In biomedical applications, miniaturization and biocompatibility are key requirements for developing smart devices. Thermoplastic polyurethane (TPU) is particularly attractive due to its elasticity, processability, and biocompatibility; however, an improvement in its shape-recovery performance would significantly enhance its suitability for actuation systems. This study aims to develop TPU-based shape memory polymer (SMP) composites with improved functional behavior for biomedical applications. Methods: TPU was modified with aluminum nanoparticles (AlNPs) and multi-walled carbon nanotubes (MWCNTs), incorporated individually (1 wt.% and 3 wt.%) and in hybrid combinations (MWCNT:AlNP ratios of 2:1, 5:1, and 10:1). Samples were produced by compression molding and characterized through thermal, mechanical, electrical, and shape-recovery tests, supported by morphological analysis. Results: AlNPs moderately improved thermal conductivity, while MWCNTs significantly enhanced electrical conductivity and doubled the recovery force compared with neat TPU. Hybrid composites showed intermediate properties, with the 5:1 MWCNT:AlNP ratio offering the best balance between recovery force and activation speed. Conclusions: The synergistic combination of MWCNTs and AlNPs effectively enhances TPU’s multifunctional behavior, demonstrating strong potential for soft actuation in biomedical devices. Thermoplastic polyurethane ; Shape-memory alloy ; Compression molding ; Shape-memory polymer ; Thermoplastic ; Carbon nanotube ; Biocompatibility ; Polyurethane ; Polymer Polymer composites and self-healing ; Dielectric materials and actuators ; Advanced Materials and Mechanics
Authors: Sharada Prasanna Swain | Sidhartha S. Kar | Kamal Misra
Source: ChemRxiv (preprint, 2025-06-30)
Field: Chemistry — Inorganic Chemistry

Recent progress in tailor tuned metal– amino acid frameworks: Broad prospects in Pharmaceuticals Metal-organic frameworks (MOFs) are synthesised by integrating inorganic and organic components via reticular synthesis. By cautiously selecting the components of MOFs, one can produce crystals with exceptional porosity and remarkable thermal and chemical stability. To investigate the vast potential of MOFs in biological applications, their functionalisation with nucleic acids, carbohydrates, lipids, and amino acids (including proteins and peptides) is particularly compelling. Metal-amino acid frameworks (MAFs), composed of amino acids or short peptides and metal ions, are intended to imitate natural biological processes and represent some of the most intriguing examples of precisely engineered networks due to their complex and unique topologies. This type of bio-functionalization can provide adjustable stability, enhanced biocompatibility, and bioactivity to the framework. MAFs serve as targeted medication carriers, stimuli-responsive biosensors in biomedical applications, asymmetric catalysts, biocatalysts in API synthesis, and biosensing, among other functions. Despite the challenges and little research surrounding MAF development, it possesses significant potential in the pharmaceutical sector. This review provides an overview of contemporary investigative strategies concerning metal-amino acid frameworks, focussing on their rational design, detailed structural feature analysis—including coordination geometries, cross-linking types, network topologies—and prospective pharmaceutical applications. Additionally, the computational and experimentally integrated models for assessing MAFs are examined, along with the obstacles and difficulties encountered in the implementation of MAFs. Nanotechnology ; Chemistry ; Biochemical engineering ; Computer science ; Computational biology ; Engineering ; Materials science ; Biology Metal-Organic Frameworks: Synthesis and Applications ; Chemical Synthesis and Analysis ; Chemical Synthesis and Reactions
Authors: José M. González‐Domínguez
Source: ChemPlusChem (article, 2025-08-19)
Field: Materials Science — Materials Chemistry

Rethinking Dispersion in Nanotechnology: Biopolymer Nanostructures as Green Enablers of Functional Integration The integration of carbon-based and inorganic nanoparticles into practical technologies requires their dispersion in liquid media, a step that remains a major bottleneck due to structural degradation and unsustainable processing methods. Biopolymer ?>nanostructures, particularly nanocellulose, offer a dual advantage: they are high-performance, renewable materials and can facilitate the aqueous dispersion of otherwise insoluble or hydrophobic nanoparticles. This function extends beyond passive stabilization, potentially enabling more sustainable and structurally preserving processing routes. However, current literature often underrepresents this active role of nanocellulose. Here, initial findings that demonstrate nanocellulose's capacity to mediate nanoparticle dispersion while preserving their integrity and enhancing process sustainability are presented. These results suggest a broader utility for nanocellulose in nanotechnology, not merely as a support material but as a transformative processing agent. This perspective proposes a shift in how nanocellulose is viewed and utilized, potentially marking the beginning of a more sustainable paradigm in nanomaterials engineering. Biopolymer ; Nanotechnology ; Nanostructure ; Dispersion (optics) ; Materials science ; Nanobiotechnology ; Nanomedicine ; Nanoparticle ; Physics ; Polymer ; Optics ; Composite material Nanoparticles: synthesis and applications ; Nanotechnology research and applications ; Graphene and Nanomaterials Applications
Authors: Deshwal | Narwal
Source: Bulgarian Chemical Communications (article, 2025-04-15)
Field: Materials Science — Materials Chemistry

Exploring the application of the carbon and boron nitride nanotubes: a review This article comprehensively examines the various applications of carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) in multiple scientific and technological fields.Carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs) possess distinctive mechanical, thermal, and electrical characteristics, rendering them viable options for various applications.The article examines the present state of research in this field, emphasizing recent advancements in synthesizing and characterizing these nanotubes.The study is expanded to investigate the applications of BNNTs and CNTs in the biomedical domain.Notable properties allow cancer treatment, gene therapy, and tissue regeneration.The prospective uses of CNTs and BNNTs in energy storage, electronics, sensors, and materials science are examined comprehensively.Owing to the piezoelectric properties of BNNT, it is suitable for use as a sensor and has diverse applications in robotics.This review offers significant insights into nanotube synthesis techniques, applications, and a case study, advancing nanotechnology and emphasizing the necessity for additional research to fully exploit its potential. Boron nitride ; Carbon fibers ; Nitride ; Carbon nitride ; Boron Boron and Carbon Nanomaterials Research ; Graphene research and applications ; Diamond and Carbon-based Materials Research
Authors: Jialu Suo | Li Guan | Peng Chen | Yujie Zhu | Mengmeng Lin | Yuanhua Hu | Zhen Liu | Shijie Han | Shixuan Han | Zhongyi Bai | Xiaoqin Guo | Biao Zhao | Rui Zhang
Source: Nanomaterials (review, 2025-09-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent Progress of Liquid Metal-Based Electromagnetic Shielding Materials Electromagnetic shielding materials are pivotal for suppressing electromagnetic radiation and mitigating potential health risks that electronic devices may pose to humans. Beyond health protection, they also hold significant strategic value in safeguarding national information security and maintaining stability. In the research of electromagnetic shielding materials, continuous technological advancements and growing application demands have driven the emergence of various novel materials. Among these, liquid metal (LM) exhibits outstanding properties-including exceptional electrical conductivity, excellent fluidity, and superior deformability-which endow it with substantial potential for application in electromagnetic shielding. Looking ahead, with the continuous advancement in related technologies, liquid metal-based electromagnetic shielding materials are expected to provide effective solutions to key challenges such as electromagnetic pollution and interference. This contribution synthesizes the latest literature. First, it clarifies the nomenclature and classification of liquid metals, as well as the fundamental framework for electromagnetic shielding. Then, it systematically distills recent research advances based on four key design motifs. These motifs include monolithic liquid metal (LM) scaffolds, LM/conductive-filler blends, LM/magnetic particle composites, and architectured multifunctional architectures. Finally, this review identifies current bottlenecks in the field and outlines directions for future development, which aim to achieve ultra-lightweight, broadband, and intelligent LM-based electromagnetic shields. Electromagnetic shielding ; Materials science ; Liquid metal ; Metal ; Composite material ; Metallurgy Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Advanced Sensor and Energy Harvesting Materials