jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Refia Atik | Rafiqul Islam | Melissa Ariza Gonzalez | Pailinrut Chinwangso | T. Randall Lee
Source: Nanomaterials (article, 2025-11-20)
Field: Materials Science — Materials Chemistry

Recent Advances in Polymer-Coated Metal and Metal Oxide Nanoparticles: From Design to Promising Applications The integration of polymer coatings with metal and metal oxide nanoparticles represents a significant advancement in nanotechnology, enhancing the stability, biocompatibility, and functional versatility of these materials. These enhanced properties make polymer-coated nanoparticles key components in a wide range of applications, including biomedicine, catalysis, environmental remediation, electronics, and energy storage. The unique combination of polymeric materials with metal and metal oxide cores results in hybrid structures with superior performance characteristics, making them highly desirable for various technological innovations. Polymer-coated metal and metal oxide nanoparticles can be synthesized through various methods, such as grafting to, grafting from, grafting through, in situ techniques, and layer-by-layer assembly, each offering distinct control over nanoparticle size, shape, and surface functionality. The distinctive contribution of this review lies in its systematic comparison of polymer-coating synthesis approaches for different metal and metal oxide nanoparticles, revealing how variations in polymer architecture and surface chemistry govern their stability, functionality, and application performance. The aim of this paper is to provide a comprehensive overview of the current state of research on polymer-coated nanoparticles, including metals such as gold, silver, copper, platinum, and palladium, as well as metal oxides like iron oxide, titanium dioxide, zinc oxide, and aluminum oxide. This review highlights their design strategies, synthesis methods, characterization approaches, and diverse emerging applications, including biomedicine (e.g., targeted drug delivery, gene delivery, bone tissue regeneration, imaging, antimicrobials, and therapeutic interventions), environmental remediation (e.g., antibacterials and sensors), catalysis, electronics, and energy conversion. Oxide ; Nanoparticle ; Metal ; Characterization (materials science) ; Polymer ; Surface modification ; Grafting Nanoparticles: synthesis and applications ; Polymer Nanocomposites and Properties ; Iron oxide chemistry and applications
Authors: Tayse Circe Turossi | Heitor Luiz Ornaghi | Francisco Maciel Monticeli | Otávio Augusto Titton Dias | Ademir J. Zattera
Source: Polymers (review, 2025-02-09)
Field: Materials Science — Biomaterials

Cellulose-Derived Battery Separators: A Minireview on Advances Towards Environmental Sustainability Cellulose-derived battery separators have emerged as a viable sustainable alternative to conventional synthetic materials like polypropylene and polyethylene. Sourced from renewable and biodegradable materials, cellulose derivatives-such as nanofibers, nanocrystals, cellulose acetate, bacterial cellulose, and regenerated cellulose-exhibit a reduced environmental footprint while enhancing battery safety and performance. One of the key advantages of cellulose is its ability to act as a hybrid separator, using its unique properties to improve the performance and durability of battery systems. These separators can consist of cellulose particles combined with supporting polymers, or even a pure cellulose membrane enhanced by the incorporation of additives. Nevertheless, the manufacturing of cellulose separators encounters obstacles due to the constraints of existing production techniques, including electrospinning, vacuum filtration, and phase inversion. Although these methods are effective, they pose challenges for large-scale industrial application. This review examines the characteristics of cellulose and its derivatives, alongside various processing techniques for fabricating separators and assessing their efficacy in battery applications. Additionally, it will consider the environmental implications and the primary challenges and opportunities associated with the use of cellulose separators in energy storage systems. Ultimately, the review underscores the significance of cellulose-based battery separators as a promising approach that aligns with the increasing demand for sustainable technologies in the energy storage domain. Cellulose ; Regenerated cellulose ; Materials science ; Nanofiber ; Renewable energy ; Waste management ; Pulp and paper industry ; Process engineering ; Nanotechnology ; Chemical engineering ; Engineering Advanced Cellulose Research Studies ; Supercapacitor Materials and Fabrication ; Advanced Battery Technologies Research
Authors: Zhoujie Wang | Songyan Li | Zhengxiao Xu | Saman A. Aryana | Jianchao Cai
Source: Capillarity (article, 2025-05-20)
Field: Materials Science — Materials Chemistry

Advances and challenges in foam stability: Applications, mechanisms, and future directions Foam has wide applications in oil and gas resource development, environmental engineering, and chemical industries due to its favorable rheological properties and interfacial characteristics. However, foam stability is influenced by a complex interplay of external and intrinsic factors, including surfactant type, gas-to-liquid ratio, temperature, and pressure. The combined effects of these factors can significantly alter foam characteristics, with each influencing the other in ways that can either enhance or destabilize foam. This research investigates these factors in detail, exploring how they interact to impact foam stability and how their optimization can enhance foam performance for various applications. The study delves into the role of interfacial tension in foam stability, highlighting how surfactant properties, gas composition, and liquid characteristics contribute to foam formation and stability. The study also reviews advancements in foam technology, particularly in oil production, CO2 storage, environmental pollution management, and the creation of novel materials, while examining strategies for boosting foam stability under extreme conditions. Findings indicate that the gas-to-liquid ratio, surfactant type, temperature, and pressure all play key roles in foam stability, and fine-tuning these parameters can lead to significant improvements in foam performance. In harsh environments, maintaining foam stability presents substantial challenges. This research further proposes methods to enhance foam stability. Foam technology demonstrates broad potential in fields like oil recovery and wastewater treatment, where optimized foam stability can improve both reservoir recovery and treatment efficiency. This review summarizes the latest advancements in foam stability research, providing valuable insights for the further development of foam technology. Document Type: Invited review Cited as: Wang, Z., Li, S., Xu, Z., Aryana, S. A., Cai, J. Advances and challenges in foam stability: Applications, mechanisms, and future directions. Capillarity, 2025, 15(3): 58-73. https://doi.org/10.46690/capi.2025.06.02 Computer science Pickering emulsions and particle stabilization ; Cellular and Composite Structures ; Flame retardant materials and properties
Authors: Xiao Yang | Xiaonan Liu | Yeung Yeung Chau | Xuezhi Qin | Hongliang Zhu | Liang Peng | K. Arnold Chan | Zuankai Wang
Source: Chemical Science (review, 2025-01-01)
Field: Materials Science — Surfaces, Coatings and Films

Role of chemistry in nature-inspired skin adhesives As an essential component of wearable technology, skin adhesion plays a critical role in a wide range of wearable device applications. To maintain effectiveness and safety in daily use, skin adhesives must exhibit strong wet adhesion and high biocompatibility, particularly for devices that remain in contact with the skin for extended periods under humid and dynamic conditions. A comprehensive understanding of skin adhesion's chemical mechanisms is fundamental to advancing this technology. Nature offers valuable inspiration, as numerous organisms have evolved sophisticated chemical and physical adhesion strategies that enable strong and reversible bonding. This review begins by exploring the historical development of nature-inspired skin adhesives, followed by a detailed examination of their performance in moist environments. Particular emphasis is placed on the covalent and non-covalent interactions between adhesive materials and skin surface functional groups, considering both biocompatibility and wet adhesion properties. Additionally, we discuss strategies to mitigate hydration-related challenges alongside an overview of characterization techniques, including mechanical, chemical, and biological testing methods. The classification of nature-inspired skin adhesives into chemical and physical approaches is presented, highlighting their applications in thermal management, energy harvesting, wound care, and transdermal drug delivery. Finally, we identify current limitations and propose design strategies to guide the development of next-generation skin adhesives, providing a clear trajectory for future research. Nanotechnology ; Adhesive ; Biocompatibility ; Transdermal ; Adhesion ; Computer science ; Materials science ; Biochemical engineering ; Engineering ; Medicine ; Composite material Polymer Surface Interaction Studies ; Advanced Sensor and Energy Harvesting Materials ; Adhesion, Friction, and Surface Interactions
Authors: Jiamin Lin | Yuanyuan Chen | Xuemei Wang
Source: Molecules (review, 2025-07-31)
Field: Materials Science — Biomaterials

Cyclodextrin-Based Supramolecular Hydrogels in Tissue Engineering and Regenerative Medicine Cyclodextrins (CDs), cyclic oligosaccharides formed by α-1,4-glycosidic-bonded D-glucopyranose units, feature unique hydrophobic cavities and hydrophilic exteriors that enable molecular encapsulation via host-guest interactions. CDs form supramolecular host-guest complexes with diverse molecular entities, establishing their fundamental role in supramolecular chemistry. This review examines fabrication strategies for CD-based supramolecular hydrogels and their applications in tissue engineering and regenerative medicine, with focused analysis on wound healing, corneal regeneration, and bone repair. We critically analyze CD-guest molecular interaction mechanisms and innovative therapeutic implementations, highlighting the significant potential of CD hydrogels for tissue regeneration while addressing clinical translation challenges and future directions. Supramolecular chemistry ; Self-healing hydrogels ; Cyclodextrin ; Tissue engineering ; Regeneration (biology) ; Regenerative medicine ; Nanotechnology ; Glycosidic bond ; Chemistry ; Materials science ; Biomedical engineering ; Polymer chemistry ; Biochemistry ; Biology ; Organic chemistry ; Molecule ; Cell biology ; Medicine ; Cell Supramolecular Self-Assembly in Materials ; Hydrogels: synthesis, properties, applications ; Proteoglycans and glycosaminoglycans research
Authors: Nency P. Domingues | Miriam Pougin | Yutao Li | Elias Moubarak | Xin Jin | F. Pelin Uran | Andres Ortega‐Guerrero | Christopher P. Ireland | Pascal Schouwink | Christian J. Schürmann | Jordi Espín | Emad Oveisi | Fatmah Mish Ebrahim | Wendy L. Queen | Berend Smit
Source: Nature Communications (article, 2025-02-11)
Field: Chemistry — Inorganic Chemistry

Unraveling metal effects on CO2 uptake in pyrene-based metal-organic frameworks Pyrene-based metal-organic frameworks (MOFs) have tremendous potential for various applications. With infinite structural possibilities, the MOF community often relies on simulations to identify the most promising candidates for given applications. Among thousands of reported structures, many exhibit limited reproducibility - in either synthesis, performance, or both - owing to the sensitivity of synthetic conditions. Geometric distortions that may arise in the functional groups of pyrene-based ligands during synthesis and/or activation cannot easily be predicted. This sometimes leads to discrepancies between in silico and experimental results. Here, we investigate a series of pyrene-based MOFs for carbon capture. These structures share the same ligand (1,3,6,8-tetrakis(p-benzoic acid)pyrene (TBAPy)) but have different metals (M-TBAPy, M = Al, Ga, In, and Sc). The ligands stack parallel in their orthorhombic crystal structure, creating a promising binding site for CO<sub>2</sub>. As predicted, the metal is shown to affect the pyrene stacking distance and, therefore, the CO<sub>2</sub> uptake. Here, we investigate the metal's intrinsic effects on the MOFs' crystal structure. Crystallographic analysis shows the emergence of additional phases, which thus impacts the overall adsorption characteristics of the MOFs. Considering these additional phases improves the prediction of adsorption isotherms, enhancing our understanding of pyrene-based MOFs for carbon capture. Pyrene ; Stacking ; Metal-organic framework ; Adsorption ; Metal ; Orthorhombic crystal system ; Ligand (biochemistry) ; Chemistry ; Materials science ; Crystal structure ; Crystallography ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon dioxide utilization in catalysis
Authors: Vu Khac Dat | Minh Chien Nguyen | Byung Joo Jeong | Ngoc Thanh Duong | Van Dam | Chengyun Hong | Duong Hai Phuong | Văn Tú Vũ | Jinsu Kang | Xiaojie Zhang | Robert A. Taylor | Kwangseuk Kyhm | Woo Jong Yu | Jae‐Young Choi | Ji‐Hee Kim
Source: Advanced Materials (article, 2025-08-13)
Field: Materials Science — Materials Chemistry

Van der Waals Integration of 1D Nb <sub>2</sub> Pd <sub>3</sub> Se <sub>8</sub> and 2D WSe <sub>2</sub> for Gate‐Tunable In‐Sensor Image Processing 1D and 2D integrations provide significant promise for machine vision by enabling compact, power-efficient optoelectronic devices. However, the potential of 1D materials in mixed-dimensional structures for convolutional image processing remains largely unexplored. Here, high-quality 1D-Nb<sub>2</sub>Pd<sub>3</sub>Se<sub>8</sub> is synthesized and integrated with 2D-WSe<sub>2</sub> to form self-powered photodetectors, exhibiting gate-tunable bi-directional photoresponse for image processing. Utilizing the narrow band gap and favorable work function of 1D-Nb<sub>2</sub>Pd<sub>3</sub>Se<sub>8</sub>, a type-I junction and 1D van der Waals interface are established with transition metal dichalcogenides. The gate tunable built-in electric field enables switching between n-p and n-n<sup>+</sup> configurations, allowing the drift photocurrent direction to be reversed, achieving both negative and positive photocurrent. Furthermore, efficient conversion of high-energy photons along one dimension enhances sensitivity at 375 nm. The device achieves a responsivity of 232 mA W<sup>-1</sup>, external quantum efficiency of 77% at 375 nm illumination, rapid response time of ~3 µs, detectivity of 6.35 × 10<sup>10</sup> Jones, and broadband photodetection from ultraviolet to near-infrared. The demonstrated gate-controllable, bi-directional photoresponse with linear power dependence in a 1D heterojunction offers a promising platform for in-sensor convolutional processing with high integration and portability. Materials science ; van der Waals force ; Optoelectronics ; Analytical Chemistry (journal) ; Atomic physics ; Physics ; Molecule ; Quantum mechanics 2D Materials and Applications ; Advanced Memory and Neural Computing ; Perovskite Materials and Applications
Authors: Lucio Nájera-Maldonado | Mariana Parra-González | Esperanza Peralta-Cuevas | Ashley J. Gutierrez-Onofre | Igor Garcia-Atutxa | Francisca Villanueva‐Flores
Source: Pharmaceutics (review, 2025-09-06)
Field: Materials Science — Biomaterials

Cracking the Blood–Brain Barrier Code: Rational Nanomaterial Design for Next-Generation Neurological Therapies This review provides a mechanistic framework to strategically design nanoparticles capable of efficiently crossing the blood-brain barrier (BBB), a critical limitation in neurological treatments. We systematically analyze nanoparticle-BBB transport mechanisms, including receptor-mediated transcytosis, adsorptive-mediated transcytosis, and transient barrier modulation. Essential nanoparticle parameters (size, shape, stiffness, surface charge, and biofunctionalization) are evaluated for their role in enhancing brain targeting. For instance, receptor-targeted nanoparticles can significantly enhance brain uptake, achieving levels of up to 17.2% injected dose per gram (ID/g) in preclinical glioma models. Additionally, validated preclinical models (human-derived in vitro systems, rodents, and non-human primates) and advanced imaging techniques crucial for assessing nanoparticle performance are discussed. Distinct from prior BBB nanocarrier reviews that primarily catalogue mechanisms, this work (i) derives quantitative 'design windows' (size 10-100 nm, aspect ratio ~2-5, near-neutral ζ) linked to transcytosis efficiency, (ii) cross-walks human-relevant in vitro/in vivo models (including TEER thresholds and NHP evidence) into a translational decision guide, and (iii) integrates regulatory/toxicology readiness (ISO 10993-4, FDA/EMA, ICH) into practical checklists. We also curate recent (2020-2025) %ID/g brain-uptake data across lipidic, polymeric, protein, inorganic, and hybrid vectors to provide actionable, evidence-based rules for BBB design. Nanocarriers ; Transcytosis ; Rational design ; Nanomedicine ; Nanoparticle ; In vivo ; Blood–brain barrier Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; Supramolecular Self-Assembly in Materials
Authors: Vinson Liao | Arthi Jayaraman
Source: JACS Au (article, 2025-06-05)
Field: Materials Science — Materials Chemistry

Inverse Design of Block Polymer Materials with Desired Nanoscale Structure and Macroscale Properties The rational design of novel polymers with tailored material properties has been a long-standing challenge in the field due to the large number of possible polymer design variables. To accelerate this design process, there is a critical need to develop novel tools to aid in the inverse design process and to efficiently explore the high-dimensional polymer design space. Optimizing macroscale material properties for polymeric systems is even more challenging than inorganics and small molecules as these properties are dictated by features on a multitude of length scales, ranging from the chosen monomer chemistries to the chain level design to larger-scale (nm to microns) domain structures. In this work, we present an efficient high-throughput in-silico based framework to effectively design high-performance polymers (blends, copolymers) with desired multiscale nanostructure and macroscale properties which we call RAPSIDY 2.0 - Rapid Analysis of Polymer Structure and Inverse Design strategY 2.0. This new version of RAPSIDY builds upon our previous work, RAPSIDY 1.0, which focused purely on identifying polymer designs that stabilized a desired nanoscale morphology. In RAPSIDY 2.0 we use a combination of molecular dynamics (MD) simulations and Bayesian optimization driven active learning to optimally query high-dimensional polymer design spaces and propose promising design candidates that simultaneously stabilize a selected nanoscale morphology and exhibit desired macroscale material properties (e.g., tensile strength, thermal conductivity). We utilize MD simulations with polymer chains preplaced into selected nanoscale morphologies and perform virtual experiments to determine the stability of the chosen polymer design within the target morphology and calculate the desired macroscale material properties. Our methodology directly addresses the unique challenge associated with copolymers whose macroscale properties are a function of both their chain design and mesoscale morphology, which are coupled. We showcase the efficacy of our methodology in engineering high-performance blends of block copolymers that exhibit (1) high thermal conductivity and (2) high tensile strength. We also discuss the impact of our work in accelerating the design of novel polymeric materials for targeted applications. Nanoscopic scale ; Inverse ; Materials science ; Block (permutation group theory) ; Polymer ; Nanotechnology ; Mathematics ; Composite material ; Geometry Block Copolymer Self-Assembly ; Organic Electronics and Photovoltaics ; Thermal properties of materials
Authors: Bekassyl Battalgazy | Danial Khatamsaz | Zahra Ghasemi | D. Mallick | Raymundo Arróyave | Ankit Srivastava
Source: Acta Materialia (article, 2025-02-08)
Field: Materials Science — Materials Chemistry

A Bayesian-based approach for constitutive model selection and calibration using diverse material responses Materials science ; Calibration ; Constitutive equation ; Selection (genetic algorithm) ; Bayesian probability ; Model selection ; Biological system ; Bayesian inference ; Biochemical engineering ; Machine learning ; Artificial intelligence ; Computer science ; Statistics ; Finite element method ; Biology ; Structural engineering ; Mathematics ; Engineering High-Velocity Impact and Material Behavior ; Metallurgy and Material Forming ; Metal Forming Simulation Techniques
Authors: Zachary S. Dubrawski | Iker Del Rosal | Erwann Jeanneau | Laurent Maron | Chloé Thieuleux | Clément Camp
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Synergistic C–H bond activation across molybdenum–iridium multiply bonded complexes: a cascade of transformations Heterobimetallic compounds offer unique opportunities for activating substrates through cooperative interactions between two distinct metal centers, potentially leading to catalytic reactivity beyond the reach of monometallic systems. The pairing of molybdenum with iridium has recently shown remarkable performance in heterogeneous catalytic and electrocatalytic processes, yet remains surprisingly unexplored in the context of homogeneous catalysis and well-defined molecular complexes. In this work, we address this gap by reporting the synthesis and characterization of complexes featuring rare molybdenum-iridium multiple bonds: Cp*Ir(H)Mo(NMe<sub>2</sub>)<sub>3</sub>, 1 and (Cp*IrH<sub>2</sub>)<sub>2</sub>Mo(NMe<sub>2</sub>)<sub>2</sub>, 2. Both complexes undergo electrophilic insertions of heteroallenes (CO<sub>2</sub>, <i>t</i>BuNCO) into the ancillary amido ligands. In the case of compound 1, the insertion of <i>tert</i>-butyl isocyanate initiates a unique cascade of bond breaking/forming events - including triple C-H activations and C<sub>sp<sup>3</sup></sub> -C<sub>sp<sup>3</sup></sub> coupling - ultimately yielding a Mo(vi) metallacyclopropane complex, 5. Addition of multiple equivalents of isocyanate instead interrupts this mechanism, leading to C-N and C-O bonds cleavage and the formation of aminocarbyne and imido ligands bridging the Ir and Mo centers, along with a molybdenum(vi)-oxo moiety. This unprecedented reactivity, mediated by a key reaction intermediate featuring an unsupported Mo-Ir quadruple bond, illustrates the interest of heterobimetallic compounds for complex bond activation and reorganization. Iridium ; Cascade ; Molybdenum ; Chemistry ; Combinatorial chemistry ; Inorganic chemistry ; Catalysis ; Organic chemistry Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis ; Cyclopropane Reaction Mechanisms