jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zhanpeng Sun | Yunfei Song | Zijun Qi | Xiang Sun | Meiyong Liao | Rui Li | Qijun Wang | Lijie Li | Gai Wu | Wei Shen | Sheng Liu
Source: International Journal of Heat and Mass Transfer (article, 2025-01-16)
Field: Materials Science — Materials Chemistry

Heat transport exploration through the GaN/diamond interfaces using machine learning potential Diamond ; Materials science ; Computer science ; Composite material Thermal properties of materials ; Advancements in Semiconductor Devices and Circuit Design ; Semiconductor materials and devices
Authors: Shiyan Wang | Chaopeng Liu | Wen Sheng Hao | Yanling Zhuang | Jianmei Chen | Xianjun Zhu | Longlu Wang | Xianghong Niu | Jianjun Mao | Dongwei Ma | Qiang Zhao
Source: Chemical Science (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Structural evolution of metal single-atoms and clusters in catalysis: Which are the active sites under operative conditions? The structural evolution of metal single-atoms and clusters has been recognized as the new frontier in catalytic reactions under operative conditions, playing a crucial role in key aspects of catalytic behavior, including activity, selectivity, stability, and atomic efficiency as well as precise tunability in heterogeneous catalysis. Accurately identifying the structural evolution of metal single-atoms and clusters during real reactions is essential for addressing fundamental issues such as active sites, metal-support interactions, deactivation mechanisms, and thereby guiding the design and fabrication of high-performance single-atom and cluster catalysts. However, how to evaluate the dynamic structural evolution of metal species during catalytic reactions is still lacking, hindering their industrial applications. In this review, we discuss the behaviors of dynamic structural evolution between metal single-atoms and clusters, explore the driving force and major factors, highlight the challenges and inherent limitations encountered, and present relevant future research trends. Overall, this review provides valuable insights that can inspire researchers to develop novel and efficient strategies for accurately identifying the structural transformations of metal single-atoms and clusters. Catalysis ; Metal ; Frontier ; Key (lock) ; Chemistry ; Chemical physics ; Materials science ; Organic chemistry ; Biology ; Ecology ; Geography Machine Learning in Materials Science ; Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion
Authors: Shazib Pervaiz | Mohsin Javed | Afzal Shah | Ansa Latif | Sidra Nasir | Iltaf Shah
Source: RSC Advances (review, 2025-01-01)
Field: Materials Science — Biomaterials

Environmental applications of magnetic nanohybrid materials The distinctive characteristics and versatile functionalities of magnetic nanoparticles (MNPs) position them as promising candidates for numerous environmental applications, attributed to their structural and physiochemical properties. Magnetic nanoparticles can integrate organic polymers, carbon-based materials, and metal oxides to form multifunctional composites that effectively adsorb and degrade pollutants. This review article discusses the magnetic nanomaterials and the techniques employed to functionalize and tailor these materials and their application for wastewater treatment, cleanup of oil spills, and photocatalytic degradation of pollutants of emerging concern. Focusing on their regeneration capabilities, catalytic performance, and adsorption efficiency, the article analyzes how magnetic nanohybrids engage with pollutants remediation. Additionally, it evaluates these materials' stability, implications, and recyclability to assess their practical applicability in real-world environmental scenarios. By presenting a detailed overview of the recent advancements, challenges, and prospects, this work aims to assist researchers in developing and enhancing magnetic nanohybrids as a remediation technology to advance sustainable environmental remediation strategies. The magnetic nanoparticles discussed in this document exhibit remarkable efficacy in contaminant removal due to their magnetic retrievability, facilitating easier recovery and reuse. These advantages not only enhance their practical applications but also align with principles of sustainability and resource efficiency. The innovative integration of advanced magnetic materials with green chemistry principles outlined in this review significantly enhances environmental remediation initiatives. This review adopts a holistic approach by emphasizing the benefits while addressing challenges, including instability, elevated costs, quality and functionality problems, concerns regarding secondary pollution, and issues related to reusability. Nanotechnology ; Materials science ; Chemical engineering ; Environmental chemistry ; Chemistry ; Engineering Nanoparticle-Based Drug Delivery ; Nanoparticles: synthesis and applications ; Nanomaterials for catalytic reactions
Authors: Heidi M. Abdel-Mageed
Source: Micro and Nano Systems Letters (review, 2025-05-12)
Field: Materials Science — Materials Chemistry

Frontiers in nanoparticles redefining enzyme immobilization: a review addressing challenges, innovations, and unlocking sustainable future potentials Abstract Nanoparticles (NPs) are redefining enzyme immobilization, offering a paradigm shift in biocatalysis through precision engineering at the nanoscale. With their exceptional surface area, tunable porosity, and customizable functionalities, NPs provide unprecedented control over enzyme stability, activity, and adaptability, bridging the gap between molecular-scale interactions and industrial-scale applications. In the era of intelligent bioprocessing, how can NP-based immobilization strategies be optimized to drive the next frontier of sustainable and high-performance enzyme technologies? A deep understanding of NP structural diversity, interfacial chemistry, and enzyme-matrix interactions is crucial to unlocking their full potential. This review systematically explores emerging NP-based immobilization platforms, including cross-linked enzyme aggregates (CLEAs), covalent organic frameworks (COFs), nanoflowers, nanofibers, carbon nanotubes (CNTs), graphene oxide (GO), ionic liquids (ILs), and layered double hydroxides (LDHs), each offering tailored advantages for catalytic enhancement and process efficiency. The review outlines current advancements such as 3D printing and wearable biosensors, forecasts the integration of artificial intelligence and smart nano-biocatalysts, and envisions futuristic applications including bio-intelligent nano/micro-robotic systems and space biosensors. Challenges, such as upscaling limitations, nanotoxicity concerns, and environmental risks, are addressed to ensure safe and viable implementation. This review provides a structured roadmap on (I) enzyme immobilization advances using next-generation NPs, (II) challenges in scalability and safety, (III) sustainability benefits of enzyme-based industrial biocatalysis, and (IV) the emergence of intelligence, adaptability, and nanoscale precision immobilization technologies and AI-assisted design and optimization. These visionary approaches mark a paradigm shift toward dynamic, adaptive, and highly specialized, multifunctional nano-enzyme systems. Graphical Abstract Nanotechnology ; Nanoparticle ; Engineering ; Materials science Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Graphene and Nanomaterials Applications
Authors: Carlos A. García‐González | María Blanco-Vales | Joana Barros | Antonella Caterina Boccia | Tatiana Budtova | Luísa Durães | Can Erkey | Marta Gallo | Petra Herman | József Kalmár | Ana Iglesias‐Mejuto | Wim J. Malfait | Shanyu Zhao | Lara Manzocco | Stella Plazzotta | Stoja Milovanović | Monica Neagu | Loredana E. Niţă | Patrina Paraskevopoulou | Anna Roig | Rosana Simón‐Vázquez | Ирина Смирнова | Željko Tomović | Clara López‐Iglesias
Source: ACS Sustainable Chemistry & Engineering (review, 2025-04-25)
Field: Chemistry — Spectroscopy

Review and Perspectives on the Sustainability of Organic Aerogels Aerogels are exceptionally lightweight materials characterized by their high open porosity and remarkable specific surface area, currently used across a wide array of industrial sectors from construction to energy storage and have great potential for expanding their applicability and unlocking new market opportunities. Driven by global economic growth and an intensifying environmental crisis, there is a growing demand for engineering innovations that prioritize sustainability. Aerogels are well-positioned to support these sustainability efforts. Their unique properties make them ideal for energy-saving solutions, environmental remediation, and more efficient use of resources. As the demand for eco-conscious technologies rises, aerogels are poised to contribute significantly to the development of greener, more efficient products and processes across multiple industries. The sustainability of aerogel technology is crucial for the mid-to-long-term future, yet its current status has been scarcely reviewed in the literature. This Perspective explores and critically reviews significant advances on organic and hybrid aerogels in the current socioeconomic scenario, with selected case studies endorsing their contribution to the UN Sustainable Development Goals. It also identifies research gaps while proposing innovative strategies to enhance the sustainability of aerogel production through the application of circular economy principles. Key strategies discussed involve the fabrication of aerogels using eco-friendly sources, such as biopolymers derived from biorefinery processes or from waste materials. Additionally, this Perspective examines the development of methods for the reuse, recycling, and end-of-life management of aerogels, along with the implementation of more efficient processing routes. Ultimately, this work highlights the need for comprehensive assessments of aerogel sustainability through life cycle assessment (LCA) and evaluations of safety and toxicity. By addressing these critical aspects, the potential of aerogels to contribute to a more sustainable future appears highly favorable from both commercial and research perspectives, paving the way for a circular aerogel economy and providing a lasting impact to the society in which we live. Sustainability ; Nanotechnology ; Environmental science ; Business ; Materials science ; Environmental chemistry ; Waste management ; Chemistry ; Engineering ; Ecology Aerogels and thermal insulation
Authors: Yang Jin | Yuting Qiu | Caofeng Pan | Li‐Dong Zhao
Source: Advanced Materials (review, 2025-04-09)
Field: Materials Science — Materials Chemistry

Advanced GeTe‐Based Thermoelectrics: Charting the Path from Performance Optimization to Devices Thermoelectric (TE) materials can interconvert electricity into heat, rendering them versatile for refrigeration and power generation. GeTe as a distinguished TE material has attracted considerable focus owing to its excellent TE performance. Herein, the milestones of research progress on GeTe are reviewed. The intrinsic potentials of GeTe are elaborated, mainly focusing on crystal structure, band structure and microstructures. The path of GeTe-based thermoelectrics from performance optimization to the devices is attempted to chart, referring to its shortcomings and characteristics. Primarily, optimization of the synthesis process is implemented to inhibit the generation of Ge precipitates and phonon migration. Furthermore, the thermoelectric performance of GeTe is enhanced through its features, including phase transition, multiple valence bands, and various microstructures via doping and alloying. Subsequently, the advancements of GeTe thermoelectric devices are presented from the aspect of device integration. Eventually, the prospect and challenges for the future direction of GeTe-based materials are proposed, offering a roadmap to inject vitality into further developments. Materials science ; Thermoelectric materials ; Thermoelectric effect ; Engineering physics ; Nanotechnology ; Optoelectronics ; Microstructure ; Electricity generation ; Refrigeration ; Mechanical engineering ; Power (physics) ; Thermal conductivity ; Metallurgy ; Composite material Advanced Thermoelectric Materials and Devices ; Perovskite Materials and Applications ; Perfectionism, Procrastination, Anxiety Studies
Authors: Nawal Setti | A. Barrahi | Mohamed Maatallah | Yassine Kaddouri | Taïbi Ben Hadda | H. Outada | Abhinay Thakur | Rachid Touzani | Khalid Karrouchi | Hatem A. Abuelizz | Burak Dikici | A. Zarrouk | A. Dafali
Source: Scientific Reports (article, 2025-01-29)
Field: Materials Science — Materials Chemistry

Experimental and computational approach on the corrosion inhibition properties of two newly pyrazole derivatives on carbon steel in acid medium In the current investigation, the efficiency inhibition of two newly synthesized bi-pyrazole derivatives, namely 2,3-bis[(bis((1 H-pyrazol-1-yl) methyl) amino)] pyridine (Tetra-Pz-Ortho) and 1,4-bis[(bis((1 H-pyrazol-1-yl) methyl) amino)] benzene (Tetra-Pz-Para) for corrosion of carbon steel (C&S) in 1 M HCl medium was evaluated. A Comparative study of inhibitor effect of Tetra-Pz-Ortho and Tetra-Pz-Para was conducted first using weight loss method and EIS (Electrochemical Impedance Spectroscopy) and PDP (Potentiodynamic Polarisation) techniques. Tetra-Pz-Ortho and Tetra-Pz-Para had a maximum inhibition efficacy of 97.2% and 96.2% respectively at optimum concentration 10<sup>-3</sup>mol/L and temperature 303 K, according to the data, suggesting that they are both effective inhibitors. The inhibition effectiveness of Tetra-Pz-Ortho and Tetra-Pz-Para increases significantly with higher concentration but decreases as temperature rises. The adsorption study demonstrated that the two molecules tested follow the Langmuir adsorption isotherm and chemically adsorbed on the metallic surface. The polarization methods showed that both compounds Tetra-Pz-Ortho and Tetra-Pz-Para were classified as mixed inhibitors. Based on the electrochemical impedance technique, the addition of the two inhibitors increased the charge transfer resistance and decreased the double layer capacity. In addition, the scanning electron microscopy (SEM) showed that the surface roughness of the C&S was considerably reduced in the presence of both Tetra-Pz-Ortho and Tetra-Pz-Para compared to its roughness without the inhibitors, indicated that the two inhibitors are effectively absorbed onto the carbon steel surface. These results were supported by elemental analysis of the metal/solution interface using X-ray photoelectron spectroscopy (XPS), for the two molecules tested. All studies demonstrated that the compound Tetra-Pz-Ortho is the most effective inhibitor. The DFT calculations and Monte Carlo/Molecular dynamic (MC/MD) simulations were treated and discussed for both compounds Tetra-Pz-Ortho and Tetra-Pz-Para in order to explain their interfacial approach and compared them to experimental results. The computational results of quantum chemistry were in agreement with those acquired by experimental methods. Pyrazole ; Corrosion ; Carbon steel ; Carbon fibers ; Combinatorial chemistry ; Chemistry ; Materials science ; Metallurgy ; Composite material ; Medicinal chemistry ; Composite number Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Xinyi Wang | Peng Peng | Matthew Witman | Vitalie Stavila | Mark D. Allendorf | Hanna Breunig
Source: Advanced Science (article, 2025-04-03)
Field: Materials Science — Materials Chemistry

Technoeconomic Insights into Metal Hydrides for Stationary Hydrogen Storage Metal hydrides (MHs) are promising candidates for storing hydrogen at ambient conditions at high volumetric energy densities. Recent developments suggest hydride-based systems can cycle and operate at favorable pressures and temperatures that work well with fuel cells used in stationary power applications. In this study, we present a comprehensive design and cost analysis of MH-based long duration hydrogen storage facilities for a variety of power end users (0 to 20 megawatts (MW) supplied over 0 to 100 hours), to offer insights on technical targets for material development and operation strategies. Our findings indicate that hydride-based storage systems hold significant size advantage in physical footprint, requiring up to 65% less land than 170-bar compressed gas storage. Metal hydride systems can be cost competitive with 350-bar compressed gas systems, with TiFe<sub>0.85</sub>Mn<sub>0.05</sub> achieving $0.45/kWh and complex MH Mg(NH<sub>2</sub>)<sub>2</sub>-2.1LiH-0.1KH achieving $0.38/kWh. Extending charging times and increasing operating cycles significantly reduce levelized cost of storage, especially for complex MHs. Key strategies to further enhance the competitiveness of MHs include leveraging waste heat from fuel cells, reducing use of critical minerals, and achieving MH production costs of US$10/kg. Hydrogen storage ; Hydrogen ; Metal ; Materials science ; Hydride ; Chemical engineering ; Metallurgy ; Chemistry ; Engineering ; Organic chemistry Hydrogen Storage and Materials ; Ammonia Synthesis and Nitrogen Reduction ; Inorganic Chemistry and Materials
Authors: N. Aikin | Vadim Shalomeev | Volodymyr Kukhar | Andrii Kostryzhev | Ihor Kuziev | Viktoriia Kulynych | Aleksandr Dykha | Volodymyr Dytyniuk | Oleksandr Shapoval | Alvydas Zagorskis | Vadym Burko | Olha Khliestova | Viacheslav Titov | Oleksandr Hrushko
Source: Crystals (article, 2025-07-23)
Field: Materials Science — Biomaterials

Recent Advances in Biodegradable Magnesium Alloys for Medical Implants: Evolution, Innovations, and Clinical Translation Biodegradable magnesium alloys have emerged as promising alternatives to permanent metallic implants due to their unique combination of mechanical compatibility with bone and complete resorption, addressing the persistent issues of stress shielding and secondary removal surgeries. This review critically examines the historical development of magnesium-based biomaterials, highlighting advances in alloy design, manufacturing processes, and surface engineering that now enable tailored degradation and improved clinical performance. Drawing on recent clinical and preclinical studies, we summarize improvements in corrosion resistance, mechanical properties, and biocompatibility that have supported the clinical translation of magnesium alloys across a variety of orthopedic and emerging medical applications. However, challenges remain, including unpredictable in vivo degradation kinetics, limited long-term safety data, lack of standardized testing protocols, and ongoing regulatory uncertainties. We conclude that while magnesium-based biomaterials have advanced from experimental concepts to clinically validated solutions, further progress in personalized degradation control, real-time monitoring, and harmonized regulatory frameworks is needed to fully realize their transformative clinical potential. Magnesium ; Translation (biology) ; Materials science ; Medicine ; Metallurgy ; Chemistry ; Biochemistry Magnesium Alloys: Properties and Applications ; Hydrogen Storage and Materials ; Aluminum Alloys Composites Properties
Authors: Phonpilas Thongpon | Menghuan Tang | Zhaoqing Cong
Source: Biomedicines (review, 2025-06-09)
Field: Materials Science — Biomaterials

Peptide-Based Nanoparticle for Tumor Therapy Cancer treatment continues to face significant challenges due to the limitations of conventional therapies, including non-specific toxicity, poor bioavailability, and drug resistance. Nanotechnology, particularly peptide-based nanoparticles (NPs), is increasingly recognized as a valuable strategy to address these obstacles. Peptides provide a versatile platform offering high biocompatibility, specificity, biodegradability, and minimal immunogenicity, making them ideal for targeted cancer therapies. This review comprehensively examines recent advancements in peptide-based nanoparticle systems, highlighting the mechanisms driving peptide self-assembly, such as amphiphilicity, non-covalent interactions, and metal coordination. It distinguishes between non-bioactive peptide nanoparticles, which primarily serve as drug carriers, and bioactive peptide nanoparticles, which integrate targeting peptides, cell-penetrating peptides (CPPs), and therapeutic peptides to enhance specificity, internalization, and anticancer efficacy. Emphasis is placed on innovative designs that exploit active targeting, stimuli-responsive release, and immunomodulatory strategies to maximize therapeutic outcomes while minimizing side effects. Despite promising preclinical outcomes, the clinical translation of peptide nanoparticles struggles with challenges involving stability, delivery efficiency, scalability, regulatory compliance, and manufacturing complexity. The review concludes by outlining future directions, emphasizing personalized nanomedicine, combination therapies, and advanced peptide engineering as crucial pathways toward successful clinical implementation. Nanomedicine ; Peptide ; Nanotechnology ; Immunogenicity ; Drug delivery ; Medicine ; Nanoparticle ; Chemistry ; Materials science ; Immune system ; Biochemistry Supramolecular Self-Assembly in Materials ; RNA Interference and Gene Delivery ; Antimicrobial Peptides and Activities
Authors: Sushma Sharma | Poonam Kumari | Mamta Shandilya | Sapna Thakur | Kahkashan Perveen | Imran Sheikh | Zubair Ahmed | R. Z. Sayyed | Andrea Mastinu
Source: Journal of Basic Microbiology (article, 2025-01-19)
Field: Materials Science — Materials Chemistry

The Combination of α‐Fe<sub>2</sub>O<sub>3</sub> NP and <i>Trichoderma</i> sp. Improves Antifungal Activity Against <i>Fusarium</i> Wilt Soil-borne plant pathogens are the most damaging pathogens responsible for severe crop damage. A conventional chemotherapy approach to these pathogens has numerous environmental issues, while biological control agents (BCAs) are less promising under field conditions. There is an immediate need to develop an integrated strategy for utilizing nanoparticles and biocontrol to manage soil-borne pathogens, such as Fusarium wilt, effectively. Simulation of BCA metabolites to nanoparticle biocontrol metabolites is considered the most effective biocontrol approach. Combining Fe<sub>2</sub>O<sub>3</sub> nanoparticles and Trichoderma in nursery and field conditions manages pathogens and increases plant growth characteristics. The present study evaluated the commercial biocontrol strains and the use of NPFe in combination with Trichoderma harzianum to enhance the biocontrol potential of T. harzianum against soil-borne pathogens. The effectiveness of (NPFe + T. harzianum) was evaluated under in vitro conditions where combination was found most effective upto (87.63%) mycelial growth inhibition of pathogen and under field conditions lowest pooled Fusarium wilt incidence (19.54%) was recorded. Nanocomposites are beneficial for agricultural sustainability and environmental safety by upregulating the expression of genes linked to these processes, Fe NPs can activate plant defense mechanisms and increase plant resistance to pathogenic invasions. Additionally, as iron is a necessary component for plant growth and development, Fe NPs promote better nutrient uptake. Trichoderma harzianum ; Biological pest control ; Trichoderma ; Fusarium wilt ; Biology ; Mycelium ; Fungicide ; Fusarium ; Pathogen ; Crop ; Beneficial organism ; Horticulture ; Biotechnology ; Agronomy ; Microbiology ; Microorganism ; Bacteria ; Fusarium oxysporum Nanoparticles: synthesis and applications ; Medicinal Plants and Neuroprotection ; Essential Oils and Antimicrobial Activity