jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: S.S.A. Shah | Manping Liu | Azim Khan | Farooq Ahmad | Umer Masood Chaudry | Muhammad Yar Khan | Arman Shah Abdullah | Shiwei Xu | Zhen Peng
Source: Journal of Magnesium and Alloys (review, 2025-04-18)
Field: Materials Science — Biomaterials

Recrystallization aspects and factors affecting their roles in Mg alloys: A comprehensive review Recrystallization stands as an essential process that influences the microstructure and properties of magnesium (Mg) alloys, yet its mechanisms remain complex and multifaceted. This review explores the key factors affecting the recrystallization behavior of Mg alloys, emphasizing how their unique structural characteristics impact the driving forces and dynamics of recrystallization. Unlike conventional alloys, Mg alloys exhibit distinctive recrystallization kinetics, which is significantly affected by deformation conditions, such as strain rate, temperature, and processing methods (e.g., rolling, forging, and extrusion). The process is also influenced by material characteristics, including initial grain size, texture, dislocation density, solute clustering, and stacking fault energy. Additionally, uneven strain distribution, stress concentrations, and stored energy play crucial roles in shaping the formation of recrystallized grains, particularly near grain boundaries. Notably, recrystallization is driven by dislocation accumulation and the availability of slip systems, with new strain-free grains typically forming in regions of high dislocation density. This paper synthesizes the existing literature to provide a comprehensive understanding of the mechanisms and kinetics of recrystallization in Mg alloys, highlighting the influence of microstructural features such as second-phase particles and grain boundary characteristics. It also identifies key challenges and suggests promising directions for future research, including optimizing material compositions and the interaction between deformation conditions via machine learning. Materials science ; Recrystallization (geology) ; Metallurgy ; Geology Magnesium Alloys: Properties and Applications ; Aluminum Alloys Composites Properties ; Aluminum Alloy Microstructure Properties
Authors: Arya Shabani | Gorkem Anil Al | Nael Berri | Bernardo Castro‐Dominguez | Hannah S. Leese | Uriel Martínez-Hernández
Source: Advanced Engineering Materials (review, 2025-02-13)
Field: Materials Science — Biomaterials

Electrospinning Technology, Machine Learning, and Control Approaches: A Review Electrospinning is a versatile technique for producing micro‐ and nanoscale fibers, offering vast potential to address critical market demands, particularly in biomedical engineering. However, the industrial adoption of electrospinning as a manufacturing technology faces significant hurdles, notably in achieving precise control over fiber properties and ensuring reproducibility and scalability. These challenges directly impact its viability for creating advanced biomedical products. Bridging the gap between material properties, end‐user requirements, and process parameters is essential for unlocking the full potential of electrospinning. This work provides a comprehensive review of electrospinning modalities, operational factors, and modeling techniques, emphasizing their role in optimizing the electrospinning process. The use of control strategies and machine learning methods is explored, showcasing their potential to enhance the electrospinning performance. This review highlights the connection between product properties and performance in electrospinning, as well as the necessary conditions for its use in biomedical applications. In addition, the review identifies gaps and unexplored areas, offering a roadmap for future innovation in fiber fabrication. By emphasizing the synergy between intelligent process design and biomedical applications, this work lays the groundwork for advancements, positioning electrospinning as a cornerstone of next‐generation manufacturing technologies. Electrospinning ; Materials science ; Nanotechnology ; Mechanical engineering ; Systems engineering ; Manufacturing engineering ; Artificial intelligence ; Engineering ; Computer science ; Composite material ; Polymer Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Electrohydrodynamics and Fluid Dynamics
Authors: Ziao Zhang | Yujie Lu | Shoujian Gao | Shuping Wu
Source: Separations (review, 2025-03-18)
Field: Chemistry — Organic Chemistry

Sustainable and Efficient Wastewater Treatment Using Cellulose-Based Hydrogels: A Review of Heavy Metal, Dye, and Micropollutant Removal Applications The rapid pace of global industrialization and population growth has intensified freshwater scarcity and water pollution, necessitating urgent solutions. Adsorption technology, favored for its cost-effectiveness, simplicity, and scalability, has emerged as a promising approach. Hydrogels, particularly cellulose-based hydrogels (CBHs), have gained significant attention as green adsorbents due to their biodegradability, non-toxicity, low cost, and exceptional adsorption capacity. This paper reviews recent advancements in CBHs for sustainable wastewater treatment, focusing on synthesis techniques, performance, and mechanisms for removing heavy metals, dyes, and micropollutants. Updated applications and their outcomes are also discussed. Despite their advantages, CBHs face challenges such as limited mechanical strength, practical production difficulties, insufficient reuse studies, and separation inefficiencies. This review addresses these issues and explores future prospects for their practical implementation. The findings provide valuable insights into advancing CBHs in sustainable and efficient water treatment solutions. Cellulose ; Self-healing hydrogels ; Heavy metals ; Sewage treatment ; Wastewater ; Chemistry ; Environmental science ; Environmental chemistry ; Waste management ; Environmental engineering ; Organic chemistry ; Engineering Nanomaterials for catalytic reactions ; Advanced Cellulose Research Studies ; Adsorption and biosorption for pollutant removal
Authors: Linlin Lu | Xu Liu | Puzhong Gu | Zhenyu Hu | Xing Liang | Zhiying Deng | Zejun Sun | Xiaoyu Zhang | Xiao Yang | Jie Yang | Guoqing Zu | Jia Huang
Source: Nature Communications (article, 2025-04-23)
Field: Materials Science — Polymers and Plastics

Stretchable all-gel organic electrochemical transistors Stretchable organic electrochemical transistors (OECTs) are promising for flexible electronics. However, the balance between stretchability and electrical properties is a great challenge for OECTs. Here, high-performance stretchable all-gel OECTs based on semiconducting polymer gel active layers and poly(ionic liquid) ionogel electrolytes are developed. The all-gel network structures effectively promote ion penetration/transport and endows the OECTs with high stretchability. The resulting OECTs exhibit an excellent combination of ultra-high transconductance of 86.4 mS, on/off ratio of 1.2 × 10<sup>5</sup>, stretchability up to 50%, and high stretching stability up to 10000 cycles under 30% strain. We demonstrate that the all-gel OECTs can be used as stretchable pressure-sensitive electronic skins with a low detection limit for tactile perception of robotic hands. In addition, the all-gel OECTs can be applied as stretchable artificial synapses for neuromorphic simulation and highly sensitive stretchable gas sensors for simulating olfactory perception process and monitoring food quality. This work provides a general all-gel strategy toward high-performance flexible electronics. Transistor ; Materials science ; Electrochemistry ; Nanotechnology ; Chemistry ; Electrode ; Electrical engineering ; Engineering Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Neuroscience and Neural Engineering
Authors: Nicoleta Mirela Blebea | Ciprian Pușcașu | Robert-Alexandru Vlad | Gabriel Hancu
Source: Gels (review, 2025-04-06)
Field: Materials Science — Biomaterials

Chitosan-Based Gel Development: Extraction, Gelation Mechanisms, and Biomedical Applications Chitosan (CS), a versatile biopolymer obtained through the deacetylation of chitin, has gained significant interest in biomedical and pharmaceutical applications due to its biocompatibility, biodegradability, and unique gel-forming capabilities. This review comprehensively analyzes CS-based gel development, covering its extraction from various natural sources, gelation mechanisms, and biomedical applications. Different extraction methods, including chemical, biological, and green techniques, are discussed regarding efficiency and sustainability. The review explores the physicochemical properties of CS that influence its gelation behavior, highlighting various gelation mechanisms such as physical, ionic, and chemical cross-linking. Recent advances in gel formation, including Schiff base reactions, Diels-Alder click chemistry, and thermosensitive gelation, have expanded the applicability of CS hydrogels. Furthermore, CS-based gels have demonstrated potential in wound healing, tissue engineering, drug delivery, and antimicrobial applications, offering controlled drug release, enhanced biocompatibility, and tunable mechanical properties. The incorporation of nanomaterials, bioactive molecules, and functional cross-linkers has further improved hydrogel performance. The current review underscores the growing significance of CS-based gels as innovative biomaterials in regenerative medicine and pharmaceutical sciences. Biocompatibility ; Self-healing hydrogels ; Chitosan ; Biopolymer ; Drug delivery ; Nanotechnology ; Materials science ; Tissue engineering ; Chitin ; Extraction (chemistry) ; Nanomaterials ; Chemistry ; Biomedical engineering ; Organic chemistry ; Polymer ; Polymer chemistry Nanocomposite Films for Food Packaging ; Hydrogels: synthesis, properties, applications ; Advanced Drug Delivery Systems
Authors: Bastian Achenbach | Aysu Yurduşen | Norbert Stock | Guillaume Maurin‐Pasturel | Christian Serre
Source: Advanced Materials (review, 2025-01-07)
Field: Chemistry — Inorganic Chemistry

Synthetic Aspects and Characterization Needs in MOF Chemistry – from Discovery to Applications Even if MOFs are recently developed for large-scale applications, the road to applications of MOFs is long and rocky. This requires to overcome challenges associated with phase discovery, synthesis optimization, basic and advanced characterization, and computational studies. Lab-scale results need to be transferred to large-scale processes, which is often not trivial, and life-cycle analyses and techno-economic analyses need to be performed to realistically assess their potential for industrial relevance. Based on the experience in the field of stable, functional MOFs combining advanced synthesis, characterization, and modeling, this mini-review gives recommendations especially for non-specialists, for example, from chemical engineers to medical doctors, to accelerate and facilitate knowledge transfer which will ultimately lead to the application of MOFs. The recommendations will include the reporting of synthesis and characterization data as well as standardization and detailed information required for the application of data mining and machine learning techniques, which are increasingly used to accelerate the discovery of new materials and data analysis. Once a suitable MOF is identified and its key properties determined, translational studies shall finally be carried out in collaboration with end-users to validate performance under real conditions and allow understanding of the processes involved. Characterization (materials science) ; Standardization ; Data science ; Scale (ratio) ; Relevance (law) ; Computer science ; Field (mathematics) ; Systems engineering ; Nanotechnology ; Key (lock) ; Biochemical engineering ; Risk analysis (engineering) ; Materials science ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Machine Learning in Materials Science ; X-ray Diffraction in Crystallography
Authors: Adil Kabylda | J. Thorben Frank | Sergio Suarez Dou | Almaz Khabibrakhmanov | Leonardo Medrano Sandonas | Oliver T. Unke | Stefan Chmiela | Klaus-Robert Müller | Alexandre Tkatchenko
Source: Journal of the American Chemical Society (article, 2025-08-31)
Field: Materials Science — Materials Chemistry

Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields Machine Learning Force Fields (MLFFs) promise to enable general molecular simulations that can simultaneously achieve efficiency, accuracy, transferability, and scalability for diverse molecules, materials, and hybrid interfaces. A key step toward this goal has been made with the GEMS approach to biomolecular dynamics [Unke et al., Sci. Adv. <b>2024</b>, <i>10</i>, eadn4397]. This work introduces the SO3LR method that integrates the fast and stable SO3krates neural network for semilocal interactions with universal pairwise force fields designed for short-range repulsion, long-range electrostatics, and dispersion interactions. SO3LR is trained on a diverse set of 4 million neutral and charged molecular complexes computed at the PBE0+MBD level of quantum mechanics, ensuring broad coverage of covalent and noncovalent interactions. Our approach is characterized by computational and data efficiency, scalability to 200 thousand atoms on a single GPU, and reasonable to high accuracy across the chemical space of organic (bio)molecules. SO3LR is applied to study units of four major biomolecule types, polypeptide folding, and nanosecond dynamics of larger systems such as a protein, a glycoprotein, and a lipid bilayer, all in explicit solvent. Finally, we discuss future challenges toward truly general molecular simulations by combining MLFFs with traditional atomistic models. Chemistry ; Pairwise comparison ; Artificial neural network ; Force field (fiction) ; Molecular dynamics ; Statistical physics ; Artificial intelligence ; Computational chemistry ; Computer science ; Physics Machine Learning in Materials Science ; Protein Structure and Dynamics ; Computational Drug Discovery Methods
Authors: Zhenxiang Wang | Taizheng Wu | Liang Zeng | Jiaxing Peng | Xi Tan | Yu Ding | Ming Gao | Guang Feng
Source: Advanced Materials (article, 2025-03-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Machine Learning Relationships Between Nanoporous Structures and Electrochemical Performance in MOF Supercapacitors The development of supercapacitors is impeded by the unclear relationships between nanoporous electrode structures and electrochemical performance, primarily due to challenges in decoupling the complex interdependencies of various structural descriptors. While machine learning (ML) techniques offer a promising solution, their application is hindered by the lack of large, unified databases. Herein, constant-potential molecular simulation is used to construct a unified supercapacitor database with hundreds of metal-organic framework (MOF) electrodes. Leveraging this database, well-trained decision-tree-based ML models achieve fast, accurate, and interpretable predictions of capacitance and charging rate, experimentally validated by a representative case. SHAP analyses reveal that specific surface area (SSA) governs gravimetric capacitance while pore size effects are minimal, attributed to the strong dependence of electrode-ion coordination on SSA rather than pore size. SSA and porosity, respectively, dominate volumetric capacitance in 1D-pore and 3D-pore MOFs, pinnacling the indispensable effects of pore dimensionality. Meanwhile, porosity is found to be the most decisive factor in the charging rate for both 1D-pore and 3D-pore MOFs. Especially for 3D-pore MOFs, an exponential increase in porosity is observed in both ionic conductance and in-pore ion diffusion coefficient, ascribed to loosened ion packing. These findings provide profound insights for the design of high-performance supercapacitor electrodes. Materials science ; Supercapacitor ; Nanoporous ; Capacitance ; Porosity ; Nanotechnology ; Metal-organic framework ; Electrode ; Cyclic voltammetry ; Gravimetric analysis ; Electrochemistry ; Chemical engineering ; Composite material ; Adsorption ; Chemistry Supercapacitor Materials and Fabrication ; Metal-Organic Frameworks: Synthesis and Applications ; Conducting polymers and applications
Authors: Shuangshuang Liu | Yuanyuan Lian | Yizhi Zhao | Hua Hou | Juanna Ren | Eman Ramadan Elsharkawy | Salah M. El‐Bahy | Zeinhom M. El‐Bahy | Nannan Wu
Source: Advanced Composites and Hybrid Materials (review, 2025-01-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent advances of MXene-based nanocomposites towards microwave absorption: a review Nanocomposite ; Microwave ; Materials science ; Nanotechnology ; Absorption (acoustics) ; Engineering physics ; Computer science ; Composite material ; Engineering ; Telecommunications Electromagnetic wave absorption materials ; MXene and MAX Phase Materials ; Metamaterials and Metasurfaces Applications
Authors: Dingxiang Zhuang | Zhengzheng Chen | Bin Sun
Source: Crystals (article, 2025-01-22)
Field: Materials Science — Materials Chemistry

Thermal Decomposition of Calcium Carbonate at Multiple Heating Rates in Different Atmospheres Using the Techniques of TG, DTG, and DSC To grasp the decomposition reaction rule of calcium carbonate in cement raw material, the thermogravimetric analyzer (TG), derivative thermogravimetric (DTG), and differential scanning calorimeter (DSC) were used for analysis. Calcium carbonate samples were heated linearly at multiple heating rates of 10, 20, 30, and 40 °C/min in the atmospheres of N2 and 70% N2 + 30% O2, respectively. The decomposition kinetics was investigated using a double extrapolation method. Kinetic parameters of the thermal decomposition and the most probable mechanism function were determined in two different atmospheres. The results show that TG, DTG, and DSC curves moved to a higher temperature with the increase in heating rate, and the addition of O2 in the reaction atmosphere had almost no effect on the change in the decomposition curve. Additionally, the activation energy of the initial state in the formation of the new nucleus obtained using the double extrapolation method was 232.13 kJ/mol in the N2 atmosphere, and the most probabilistic mechanistic function was G(α) = 1 − (1 − α)1/2. The chemical reaction process was consistent with the contracted cylinder mechanism model of phase boundary reaction. Moreover, the activation energy of the initial state in the formation of the new nucleus was 233.79 kJ/mol in the 70% N2 + 20% O2 atmosphere, and the chemical reaction process was consistent with that of the N2 atmosphere. Therefore, these results could determine the decomposition temperature and decomposition rate of calcium carbonate. This was important for understanding the thermal stability and processing temperature range of polymer materials, especially the application and potential in production and scientific research. Calcium carbonate ; Thermal decomposition ; Decomposition ; Materials science ; Calcium ; Carbonate ; Thermal ; Chemical engineering ; Mineralogy ; Chemistry ; Composite material ; Metallurgy ; Thermodynamics ; Organic chemistry Thermal and Kinetic Analysis ; Calcium Carbonate Crystallization and Inhibition ; Energetic Materials and Combustion
Authors: Yahan Cao | Khalid G. Biro Turk | N. Bibi | Abdul Ghafoor | Nazeer Ahmed | Muhammad Azmat | Roshaan Ahmed | Muhammad Imran Ghani | Muhammad Abass Ahanger
Source: Frontiers in Plant Science (review, 2025-01-17)
Field: Materials Science — Materials Chemistry

Nanoparticles as catalysts of agricultural revolution: enhancing crop tolerance to abiotic stress: a review Ensuring global food security and achieving sustainable agricultural productivity remains one of the foremost challenges of the contemporary era. The increasing impacts of climate change and environmental stressors like drought, salinity, and heavy metal (HM) toxicity threaten crop productivity worldwide. Addressing these challenges demands the development of innovative technologies that can increase food production, reduce environmental impacts, and bolster the resilience of agroecosystems against climate variation. Nanotechnology, particularly the application of nanoparticles (NPs), represents an innovative approach to strengthen crop resilience and enhance the sustainability of agriculture. NPs have special physicochemical properties, including a high surface-area-to-volume ratio and the ability to penetrate plant tissues, which enhances nutrient uptake, stress resistance, and photosynthetic efficiency. This review paper explores how abiotic stressors impact crops and the role of NPs in bolstering crop resistance to these challenges. The main emphasis is on the potential of NPs potential to boost plant stress tolerance by triggering the plant defense mechanisms, improving growth under stress, and increasing agricultural yield. NPs have demonstrated potential in addressing key agricultural challenges, such as nutrient leaching, declining soil fertility, and reduced crop yield due to poor water management. However, applying NPs must consider regulatory and environmental concerns, including soil accumulation, toxicity to non-target organisms, and consumer perceptions of NP-enhanced products. To mitigate land and water impacts, NPs should be integrated with precision agriculture technologies, allowing targeted application of nano-fertilizers and nano-pesticides. Although further research is necessary to assess their advantages and address concerns, NPs present a promising and cost-effective approach for enhancing food security in the future. Food security ; Environmental science ; Agriculture ; Sustainability ; Sustainable agriculture ; Crop yield ; Agricultural productivity ; Crop protection ; Productivity ; Business ; Natural resource economics ; Agroforestry ; Agronomy ; Ecology ; Biology Nanoparticles: synthesis and applications ; Heavy metals in environment
Authors: Shagun Sood | Pawan Kumar | Isha Raina | Mrinmoy Misra | Sandeep Kaushal | Sanjay Gaur | Sanjeev Kumar | Gurjinder Singh
Source: Photonics (article, 2025-05-08)
Field: Materials Science — Materials Chemistry

Enhancing Optoelectronic Performance Through Rare-Earth-Doped ZnO: Insights and Applications Rare-earth (RE) doping has been found to be a potent method to improve the structural, optical, electronic, and magnetic properties of ZnO, positioning it as a versatile material for future optoelectronic devices. This review herein thoroughly discusses the latest developments in RE-doped ZnO based on the role of the dopant type, concentration, synthesis method, and consequences of property modifications. The 4f electronic states of rare-earth elements create strong visible emissions, control charge carriers, and design defects. These structural changes lead to tunable bandgap energies and increased light absorption. Also, RE doping considerably enhances ZnO’s performance in electronic devices, like UV photodetectors, LEDs, TCOs, and gas sensors. Though, challenges like solubility constraints and lattice distortions at higher doping concentrations are still key challenges. Co-doping methodologies and new synthesis techniques to further optimize the incorporation of RE into ZnO matrices are also reviewed in this article. By showing a systematic comparison of different RE-doped ZnO systems, this paper sheds light on their future optoelectronic applications. The results are useful for the design of advanced ZnO-based materials with customized functionalities, which will lead to enhanced device efficiency and new photonic applications. Rare earth ; Doping ; Materials science ; Optoelectronics ; Wide-bandgap semiconductor ; Nanotechnology ; Engineering physics ; Physics ; Metallurgy ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Transition Metal Oxide Nanomaterials