jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Myung Kue Lee | Min Ook Kim | T. Clive Lee | Sang‐Hwan Cho | Dongchan Kim | Wonghil Chang | Yongkyung Kwon | Seongkwan Mark Lee | Ju Kwang Kim | Bong Cheol Son
Source: Polymers (review, 2025-01-30)
Field: Materials Science — Polymers and Plastics

Epoxy-Based Vitrimers for Sustainable Infrastructure: Emphasizing Recycling and Self-Healing Properties Epoxy-based vitrimers represent a paradigm shift in material science, offering an unprecedented combination of mechanical robustness, environmental sustainability, and reconfigurability. These dynamic polymer systems utilize associative dynamic covalent bonds (DCBs) such as transesterification to blend the structural integrity of thermosets with the recyclability and self-healing properties of thermoplastics. This unique combination makes vitrimers ideal candidates for high-performance applications in industries such as civil engineering, where material durability, repairability, and environmental compatibility are critical. Epoxy-based vitrimers, in particular, exhibit exceptional self-healing capabilities, allowing them to autonomously repair microcracks and damage, restoring mechanical properties under appropriate stimuli such as heat or light. Their recyclability further aligns with global sustainability goals by reducing material waste and lifecycle costs. Recent advancements have also integrated bio-based feedstocks and scalable manufacturing methods, enhancing the feasibility of these materials for industrial applications. This review explores the underlying self-healing mechanisms, dynamic recycling processes, and the emerging role of epoxy-based vitrimers in civil engineering. Challenges related to scalability, mechanical optimization, and regulatory acceptance are also discussed, with a focus on their potential to drive sustainable innovation in infrastructure materials. Epoxy ; Sustainability ; Reconfigurability ; Durability ; Scalability ; Materials science ; Computer science ; Compatibility (geochemistry) ; Self-healing ; Sustainable development ; Robustness (evolution) ; Construction engineering ; Biochemical engineering ; Engineering ; Composite material ; Telecommunications Polymer composites and self-healing ; Synthetic Organic Chemistry Methods ; biodegradable polymer synthesis and properties
Authors: Junshan Lai | Benjamin List | Jolene P. Reid
Source: Nature Communications (article, 2025-04-17)
Field: Chemistry — Organic Chemistry

Bis-indole chiral architectures for asymmetric catalysis Chiral scaffolds are essential to the advancement of asymmetric synthesis, yet the development of privileged motifs that more effectively communicate asymmetry constitutes a grand challenge for chemists. Here we describe a method using a confined chiral Brønsted acid catalyst to combine two inexpensive and widely available materials-indole and acetone-into a class of C₂-symmetric, spirocyclic compounds called SPINDOLE. SPINDOLEs extend the versatility of established frameworks by offering greater flexibility and ease of synthesis. The resulting chiral compounds can be readily modified to create diverse structures that excel in promoting highly selective reactions such as hydrogenation, allylic alkylation, hydroboration, and Michael addition. This work introduces a powerful strategy for advancing asymmetric catalysis, enabling the creation of versatile chiral frameworks with broad synthetic potential. Enantioselective synthesis ; Tsuji–Trost reaction ; Catalysis ; Hydroboration ; Combinatorial chemistry ; Indole test ; Nanotechnology ; Chemistry ; Organocatalysis ; Flexibility (engineering) ; Computer science ; Organic chemistry ; Materials science ; Mathematics Axial and Atropisomeric Chirality Synthesis ; Asymmetric Synthesis and Catalysis ; Asymmetric Hydrogenation and Catalysis
Authors: Tao Liu | Hang Qu | Sam D. Harding | Isaiah Borne | Linjiang Chen | John W. Ward | Simon C. Weston | Andrew I. Cooper
Source: Nature Chemistry (article, 2025-07-22)
Field: Chemistry — Inorganic Chemistry

Bottom-up computational design of shape-selective organic macrocycles for humid CO2 capture The capture of CO<sub>2</sub> emissions using porous solids is challenging because polar water molecules bind more strongly in most materials than non-polar CO<sub>2</sub> molecules. This is a challenge for both flue gas capture and for direct air capture alike. Here we develop a bottom-up computational screening workflow to calculate the binding energy of 27,446 diverse molecular fragments with both CO<sub>2</sub> and water. Most molecules favour water binding, but bent, clip-like aromatic molecules exhibit potential for the desired reverse selectivity. This suggests that aromatic macrocycles with specific shapes can promote multiple weak π-π interactions with CO<sub>2</sub> that surpass stronger but less numerous dipole-π interactions with water. We synthesize two water- and acid-stable molecular prisms with triangular and square geometries, as suggested by computation. Experiments confirm that the CO<sub>2</sub> capture capacity of these prisms is unaffected by high relative humidity, surpassing the performance of benchmark commercial porous materials. Chemistry ; Molecule ; Chemical polarity ; Chemical physics ; Dipole ; Bent molecular geometry ; Binding energy ; Selectivity ; Computational chemistry ; Polar ; Nanotechnology ; Organic chemistry ; Atomic physics Metal-Organic Frameworks: Synthesis and Applications ; Carbon Dioxide Capture Technologies ; Covalent Organic Framework Applications
Authors: You Liang | Yuehong Du | Yuchen Song | Sijin Wang | Can Zhao | Zhiming Feng | Shimin Zuo | Fengping Yang | Ke Xu | Zhongyang Huo
Source: Journal of Nanobiotechnology (article, 2025-05-07)
Field: Materials Science — Materials Chemistry

Dual stimuli-responsive prodrug co-delivery nanosystem of salicylic acid and bioavailable silicon for long-term immunity in plant Plant-induced resistance plays a crucial role in the plant defense system by activating intrinsic immune mechanisms. In this study, a novel amidase- and redox-responsive codelivery nanosystem was developed by covalently linking salicylic acid (SA) to functionalized disulfide-doped mesoporous silica nanoparticles (MSNs-ss-NH<sub>2</sub>) for the efficient delivery of SA and bioavailable silicon concurrently. Physicochemical characterization confirmed the successful preparation of MSNs-ss-SA, demonstrating its structural integrity and glutathione and amidase responsive degradation mechanism. With a particle size of approximately 90 nm, MSNs-ss-SA could penetrate the stomata of rice leaves, facilitating the efficient intracellular transport of SA and bioavailable silicon. Biological activity assays revealed that MSNs-ss-SA exhibited superior efficacy in inducing resistance to rice sheath blight compared to conventional SA, which was primarily due to its ability to enhance physical barrier formation, strengthen antioxidant defense systems, upregulate the expression of key defense-related genes, and increase chitinase synthesis, collectively triggering both systemic acquired resistance and induced systemic resistance. Most importantly, biological safety assessments confirmed its excellent compatibility with rice plants, aquatic organisms, soil ecosystems, and human cell models. Therefore, the prodrug system of SA and bioavailable silicon shows a significant potential for sustainable agricultural plant disease management. Prodrug ; Salicylic acid ; Chemistry ; Bioavailability ; Nanotechnology ; Dual (grammatical number) ; Pharmacology ; Biophysics ; Biochemistry ; Biology ; Materials science Nanoparticles: synthesis and applications ; Silicon Effects in Agriculture ; Silicon Nanostructures and Photoluminescence
Authors: Malay Nayak | Durba Banerjee | Venugopal Vangala | Susheel Kumar Nethi | Ayan Kumar Barui | Sudip Mukherjee
Source: npj Biomedical Innovations. (article, 2025-10-24)
Field: Materials Science — Biomaterials

Cell-engineered technologies for wound healing and tissue regeneration Abstract This review provides a comprehensive analysis of diverse cell-engineered technologies for wound healing and tissue regeneration, highlighting various engineered techniques in a single article. It discusses different types of genetic modifications in various cell types to enhance cellular therapeutic properties. It also explores innovative cell delivery systems, including hydrogels and 3D bioprinting. Additionally, we evaluate the clinical applicability of these technologies and highlight key challenges, providing a future research direction. Wound healing ; Regeneration (biology) ; Tissue engineering ; Tissue repair ; Cell type Electrospun Nanofibers in Biomedical Applications ; Mesenchymal stem cell research ; 3D Printing in Biomedical Research
Authors: Pierre-Clément A. Simon | Casey Icenhour | Gyanender Singh | Alexander Lindsay | Chaitanya Bhave | Lin Yang | Adriaan A. Riet | Yifeng Che | Paul W. Humrickhouse | P. Calderoni | Masashi Shimada
Source: Fusion Engineering and Design (article, 2025-02-27)
Field: Materials Science — Materials Chemistry

MOOSE-based Tritium Migration Analysis Program, Version 8 (TMAP8) for advanced open-source tritium transport and fuel cycle modeling Tritium management is critical for the safety, sustainability, and economics of fusion energy systems, and advanced and reliable modeling tools help accelerate the development of tritium technologies. This paper presents the Tritium Migration Analysis Program, Version 8 (TMAP8), an open-source, MOOSE-based application developed to provide state-of-the-art tritium transport and fuel cycle modeling capabilities. TMAP8 aims to expand the capabilities of previous versions (i.e., TMAP4 and TMAP7) by leveraging modern computational techniques, ensuring high software quality assurance standards (key to building trust), and enabling multispecies, multiscale, and multiphysics simulations for integrated tritium transport modeling in complex geometries. This paper outlines TMAP8’s scope and rigorous development practices, emphasizing its transparency, accessibility, modularity, and reliability. We present the current suite of verification and validation cases based on those from TMAP4, demonstrating TMAP8’s accuracy and reliability against analytical solutions and experimental data. Additionally, the paper showcases TMAP8’s integrated fuel cycle modeling capabilities, highlighting its applicability at various scales and levels. The TMAP8 code and documentation are openly available, promoting collaborative development and widespread adoption within the fusion community. Future work will soon expand TMAP8’s verification and validation suite to include those from TMAP7 and other recent experimental studies for validation. Tritium ; Fuel cycle ; Nuclear engineering ; Open source ; Environmental science ; Radiochemistry ; Nuclear physics ; Computer science ; Physics ; Chemistry ; Software ; Operating system Nuclear Materials and Properties ; Fusion materials and technologies ; Nuclear reactor physics and engineering
Authors: Eduardo Carasek | Amanda Vitória Santos | Francielle Crocetta Turazzi | Lucas Morés | Luciane Effting | Guilherme Mariz de Oliveira Barra
Source: Journal of Separation Science (review, 2025-05-01)
Field: Chemistry — Analytical Chemistry

Recent Trends in the Development of Green Analytical Sample Preparation Methods Using Advanced Materials Recent concern about the impact of environmental preservation and the health of living beings has opened new avenues for scientific research. In this context, contemporary analytical chemistry has been marked by the development of green analytical methodologies, which aim to reduce the use of toxic reagents and minimize the environmental impact of analytical processes. Progress in this area involves the optimization of sample preparation techniques and the use of new functional materials, which contribute to a more sustainable and efficient analysis. Among these methodologies, miniaturized sample preparation techniques stand out, as they use smaller volumes of solvents and offer high sensitivity and selectivity. The use of advanced materials, such as molecularly imprinted polymers, MOFs, and conductive polymers, has driven innovation in analytical procedures regarding complex matrices, including environmental, food, and biological samples. These materials offer high selectivity and stability, improving efficiency in the extraction and detection of specific analytes. This review explores the integration of sustainable and green methodologies. It critically highlights applications and evaluates them using the Analytical Greenness Metric for Sample Preparation, based on publications from the past 6 years. Sample preparation ; Biochemical engineering ; Context (archaeology) ; Molecularly imprinted polymer ; Nanotechnology ; Computer science ; Sample (material) ; Process engineering ; Environmental science ; Materials science ; Chemistry ; Engineering ; Chromatography ; Selectivity Analytical chemistry methods development ; Electrochemical Analysis and Applications ; Electrochemical sensors and biosensors
Authors: Gourhari Jana | Pratim Kumar Chattaraj
Source: Frontiers in Chemistry (review, 2025-02-11)
Field: Materials Science — Materials Chemistry

Exploring advanced nanostructures and functional materials for efficient hydrogen storage: a theoretical investigation on mechanisms, adsorption process, and future directions Hydrogen is a promising candidate for renewable energy storage and transportation due to its high energy density and zero carbon emissions. Its practical applications face challenges related to safe, efficient storage and release systems. This review article investigates advanced nanostructured materials for hydrogen storage, including metal acetylide and cyanide complexes, B,N-doped γ-graphyne nanotubes (γ-GNT), lithium-phosphide double helices, and Ni-decorated carbon-based clusters. Density Functional Theory (DFT) based computations are used to analyze binding energies, thermodynamic stability, and adsorption mechanisms. Ni-decorated C<sub>12</sub>N<sub>12</sub> nanoclusters demonstrate enhanced storage capacities, binding up to eight H<sub>2</sub> molecules with a favorable N-(μ-Ni)-N configuration. Lithium-phosphide double helices show potential for 9.6 wt% hydrogen storage within a stable, semiconducting framework. Functionalization of γ-GNT with OLi<sub>2</sub> at boron-doped sites significantly enhances storage potential, achieving optimal hydrogen binding energies for practical applications. Additionally, metal acetylide and cyanide complexes, stabilized by noble gas insertion, display thermodynamically favorable hydrogen adsorption. These results highlight the potential of these functionalized nanostructures for achieving high-capacity, reversible hydrogen storage. The nanostructures in this study, such as γ-graphyne nanotubes (γ-GNT), lithium-phosphide double helices, metal acetylide and cyanide complexes, and Ni-decorated carbon-based clusters, are selected based on their ability to exhibit complementary hydrogen adsorption mechanisms, including physisorption and chemisorption. γ-GNT offers high surface area and tunable electronic properties, ideal for physisorption enhanced by heteroatom doping. Lithium-phosphide double helices facilitate Kubas-like chemisorption through unsaturated lithium centers. Metal acetylide and cyanide complexes stabilize hydrogen adsorption via charge transfer and conjugated frameworks, while Ni-decorated clusters combine polarization-induced physisorption. These materials represent a strategic approach to addressing the challenges of hydrogen storage through diverse and synergistic mechanisms. The review also addresses challenges and outlines future directions to advance hydrogen's role as a sustainable fuel. Hydrogen storage ; Physisorption ; Phosphide ; Chemisorption ; Lithium (medication) ; Materials science ; Density functional theory ; Adsorption ; Binding energy ; Chemical engineering ; Hydrogen ; Inorganic chemistry ; Nanotechnology ; Chemistry ; Computational chemistry ; Physical chemistry ; Metal ; Organic chemistry Hydrogen Storage and Materials ; Ammonia Synthesis and Nitrogen Reduction ; MXene and MAX Phase Materials
Authors: Touha Nazrun | Md Kamrul Hassan | Md Rayhan Hasnat | Md. Delwar Hossain | Bulbul Ahmed | Swapan Saha
Source: Fire (review, 2025-04-15)
Field: Materials Science — General Materials Science

A Comprehensive Review on Intumescent Coatings: Formulation, Manufacturing Methods, Research Development, and Issues Fire has been proven to threaten human lives and buildings significantly. Extensive research is being conducted globally to reduce fire risks, particularly in high-rise buildings that incorporate steel for structural support, timber for decorative elements, and cladding for insulation. Traditional passive fireproofing materials, such as concrete coverings, gypsum boards, and cementitious coatings, often lack aesthetic appeal. Intumescent coatings offer a promising solution to this issue. These coatings require a thin layer on the substrate to protect from fire, and the thin layer expands up to many times its original thickness when exposed to fire, forming an insulating char that acts as a barrier between fire and the substrate. This barrier prevents the steel from reaching critical temperature and helps maintain its integrity during a fire incident. Hence, intumescent coatings are a great choice for passive fire protection of load-bearing steel, wooden structures, timber, and cementitious buildings. Although some research articles discuss intumescent coating types, application methods, fabrication processes, cost-effectiveness, bonding performance, toxicity, and various uses, a comprehensive study encompassing all these topics still needs to be conducted. This review paper explores different types of intumescent coatings, their formulation and manufacturing methods, their application processes, and their use on various substrates. It also covers the key intumescent coating materials and their interactions during fire. Challenges and issues, such as fire protection time, char-forming temperature, and toxicity, are discussed. Intumescent ; Materials science ; Engineering ; Construction engineering ; Manufacturing engineering ; Computer science ; Coating ; Composite material Material Properties and Applications ; Synthesis and properties of polymers
Authors: Kunyang Feng | Hanting Wang | Song Zhou | Wei Zhang | Chuxuan Gong | Yuxin He | Yusen Wang | Wubin Dai | Jianbo Li | Zhengwei Zhang | Siqiao Li
Source: Advanced Science (article, 2025-04-07)
Field: Materials Science — Materials Chemistry

Surface Engineering‐Induced d‐Band Center Down‐Regulation in High‐Entropy Alloy Nanowires for Enhanced Nanozyme Catalysis High-entropy alloys (HEAs) have garnered extensive attention owing to their broad compositional tunability and high catalytic activity. However, precisely modulating the enzyme-like activity of HEAs and enhancing their biocompatibility for biological applications remain severely challenging. Herein, PtRuFeCoNi HEA nanowires (NWs) are synthesized by adjusting the metal composition and surface-engineered with polydopamine (PDA) to form HEA NWs@PDA nanozymes (HEzymes@PDA) with superior catalytic activity and photothermal properties. Density functional theory calculations and the Sabatier principle reveal that self-polymerized PDA surface engineering moderately lowers the d-band center of the HEAs, optimizes the surface charge distribution, and enhances the adsorption-desorption efficiency of the substrates. As a proof-of-concept, the HEzymes@PDA are synergistically integrated with hydrogels for biosensing analysis. This study presents an innovative paradigm for designing highly active HEA nanozymes via surface engineering and demonstrates their immense potential in catalytic sensing applications. Biocompatibility ; Materials science ; Nanotechnology ; Catalysis ; Nanowire ; Surface engineering ; Adsorption ; Biosensor ; Alloy ; Surface modification ; Chemistry ; Physical chemistry ; Metallurgy Advanced Nanomaterials in Catalysis ; Advanced Photocatalysis Techniques ; Electrochemical sensors and biosensors
Authors: Bin Zhao | Diping Zeng | Xinglei He | Jinhua Li | Yuqi Lin | Ke‐Yin Ye
Source: JACS Au (article, 2025-04-29)
Field: Chemistry — Organic Chemistry

Electrochemical Conversions of Sulfenamides into Sulfonimidoyl- and Sulfondiimidoyl Fluorides The invention of versatile linkage agents provides the chemical basis for SuFEx chemistry. Sulfonimidoyl fluorides and sulfondiimidoyl fluorides are aza-isosteres of sulfonyl fluorides with diverse reactivity through the fine-tuning of <i>N</i>-substituents. However, limited synthetic approaches impede their wide applications in SuFEx chemistry. Herein, we develop a straightforward electrochemical strategy for sulfonimidoyl- and sulfondiimidoyl fluorides through sequential oxidations of the readily available sulfenamides via sulfinamide and iminosulfinamide intermediates, respectively. The previously rarely investigated (bis)-sulfondiimidoyl fluorides are now easily accessible and readily participate in SuFEx chemistry with diverse oxygen and nitrogen nucleophiles, macrocyclization, and polymerization. Electrochemistry ; Chemistry ; Electrode ; Physical chemistry Synthesis and Catalytic Reactions ; Sulfur-Based Synthesis Techniques ; Fluorine in Organic Chemistry
Authors: Naveed Akhtar | Saima Shakil Malik | Fida Muhammad | Zakir Ullah
Source: Nano Select (article, 2025-05-08)
Field: Materials Science — Materials Chemistry

CuO Nanoparticles: Tuning Properties for Energy and Optoelectronic Applications ABSTRACT This study examines the impact of synthesis parameters on the structural, optical, and catalytic properties of CuO nanoparticles, aiming to enhance their performance for applications in energy conversion, catalysis, and optoelectronics. CuO nanoparticles were synthesized through various chemical routes, and their properties were characterized using x‐ray diffraction (XRD), scanning electron microscopy (SEM), and UV–Vis spectroscopy. The findings show that synthesis conditions, including temperature, precursor concentration, and reaction time, significantly influence crystallite size, morphology, bandgap energy, and catalytic activity. Higher synthesis temperatures and longer reaction times led to improved crystallinity and reduced particle size, which in turn lowered the bandgap energy and enhanced the optical properties. Optical characterization revealed that the bandgap could be fine‐tuned by adjusting synthesis parameters, making the nanoparticles suitable for specific optoelectronic applications. Catalytic performance tests demonstrated that the CuO nanoparticles exhibited excellent activity in degrading organic pollutants, with their performance strongly dependent on synthesis conditions. This research highlights the potential of CuO nanoparticles as versatile materials, with customizable properties for use in advanced technologies. By controlling synthesis parameters, the study provides a pathway for the targeted design of CuO nanoparticles, contributing to the development of efficient and sustainable nanomaterials for future technological applications. Nanoparticle ; Materials science ; Optoelectronics ; Energy (signal processing) ; Nanotechnology ; Engineering physics ; Physics Copper-based nanomaterials and applications ; ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors