jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jinhua Xiong | Xu Zhao | Zonglin Liu | He Chen | Qian Yan | Huanxin Lian | Yunxiang Chen | Qingyu Peng | Xiaodong He
Source: Nano-Micro Letters (article, 2024-10-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Multifunctional Nacre-Like Nanocomposite Papers for Electromagnetic Interference Shielding via Heterocyclic Aramid/MXene Template-Assisted In-Situ Polypyrrole Assembly Robust, ultra-flexible, and multifunctional MXene-based electromagnetic interference (EMI) shielding nanocomposite films exhibit enormous potential for applications in artificial intelligence, wireless telecommunication, and portable/wearable electronic equipment. In this work, a nacre-inspired multifunctional heterocyclic aramid (HA)/MXene@polypyrrole (PPy) (HMP) nanocomposite paper with large-scale, high strength, super toughness, and excellent tolerance to complex conditions is fabricated through the strategy of HA/MXene hydrogel template-assisted in-situ assembly of PPy. Benefiting from the "brick-and-mortar" layered structure and the strong hydrogen-bonding interactions among MXene, HA, and PPy, the paper exhibits remarkable mechanical performances, including high tensile strength (309.7 MPa), outstanding toughness (57.6 MJ m<sup>-3</sup>), exceptional foldability, and structural stability against ultrasonication. By using the template effect of HA/MXene to guide the assembly of conductive polymers, the synthesized paper obtains excellent electronic conductivity. More importantly, the highly continuous conductive path enables the nanocomposite paper to achieve a splendid EMI shielding effectiveness (EMI SE) of 54.1 dB at an ultra-thin thickness (25.4 μm) and a high specific EMI SE of 17,204.7 dB cm<sup>2</sup> g<sup>-1</sup>. In addition, the papers also have excellent applications in electromagnetic protection, electro-/photothermal de-icing, thermal therapy, and fire safety. These findings broaden the ideas for developing high-performance and multifunctional MXene-based films with enormous application potential in EMI shielding and thermal management. Materials science ; Polypyrrole ; Nanocomposite ; EMI ; Electromagnetic shielding ; Aramid ; Composite material ; Toughness ; Electromagnetic interference ; Ultimate tensile strength ; Conductive polymer ; Thermal stability ; Polymer ; Nanotechnology ; Fiber ; Chemical engineering ; Electrical engineering ; Polymerization Electromagnetic wave absorption materials ; MXene and MAX Phase Materials ; Advanced Antenna and Metasurface Technologies
Authors: Takao Ono | Satoshi Okuda | Shota Ushiba | Yasushi Kanai | Kazuhiko Matsumoto
Source: Materials (review, 2024-01-09)
Field: Materials Science — Materials Chemistry

Challenges for Field-Effect-Transistor-Based Graphene Biosensors Owing to its outstanding physical properties, graphene has attracted attention as a promising biosensor material. Field-effect-transistor (FET)-based biosensors are particularly promising because of their high sensitivity that is achieved through the high carrier mobility of graphene. However, graphene-FET biosensors have not yet reached widespread practical applications owing to several problems. In this review, the authors focus on graphene-FET biosensors and discuss their advantages, the challenges to their development, and the solutions to the challenges. The problem of Debye screening, in which the surface charges of the detection target are shielded and undetectable, can be solved by using small-molecule receptors and their deformations and by using enzyme reaction products. To address the complexity of sample components and the detection mechanisms of graphene-FET biosensors, the authors outline measures against nonspecific adsorption and the remaining problems related to the detection mechanism itself. The authors also introduce a solution with which the molecular species that can reach the sensor surfaces are limited. Finally, the authors present multifaceted approaches to the sensor surfaces that provide much information to corroborate the results of electrical measurements. The measures and solutions introduced bring us closer to the practical realization of stable biosensors utilizing the superior characteristics of graphene. Biosensor ; Graphene ; Nanotechnology ; Materials science ; Field-effect transistor ; Transistor ; Computer science ; Engineering ; Electrical engineering Graphene research and applications ; Advanced biosensing and bioanalysis techniques ; Molecular Junctions and Nanostructures
Authors: Ziad Alsudairy | Qi Zheng | Normanda Brown | Ranjan Kumar Behera | Chongqing Yang | Md Hanif Uddin | Allison Saintlima | Loryn Middlebrooks | Junrui Li | Conrad W. Ingram | Xinle Li
Source: Chemical Engineering Journal (article, 2024-02-05)
Field: Materials Science — Materials Chemistry

Microwave-assisted synthesis of mixed-linker covalent organic frameworks enabling tunable and ultrahigh iodine capture Covalent organic framework ; Adsorption ; Covalent bond ; Linker ; Sorption ; Crystallinity ; Chemical engineering ; Materials science ; Porosity ; Thermal stability ; Nanotechnology ; Chemistry ; Organic chemistry ; Computer science ; Composite material Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Head and Neck Surgical Oncology
Authors: Antoine Adjaoud | Benoît Marcolini | Reiner Dieden | Laura Puchot | Pierre Verge
Source: Journal of the American Chemical Society (article, 2024-05-02)
Field: Materials Science — Polymers and Plastics

Deciphering the Self-Catalytic Mechanisms of Polymerization and Transesterification in Polybenzoxazine Vitrimers The use of internal catalysts has emerged as a pivotal design principle to facilitate dynamic exchanges within covalent adaptable networks (CANs). Polybenzoxazines, specifically, have shown considerable potential in generating vitrimers through thermally induced transesterification reactions catalyzed internally by tertiary amines. This study aims to investigate the chemical complexities of transesterification reactions within benzoxazine vitrimers. To achieve this, model molecules using various phenolic acids and amino-alcohol derivatives were synthesized as precursors. The structure of these model molecules was fully elucidated by using nuclear magnetic resonance (NMR). Differential scanning calorimetry (DSC) and rheology experiments evidenced the accelerated network formation of the precursors due to the presence of aliphatic -OH groups. Thermogravimetric analysis coupled with microcomputed gas chromatography (TGA-μGC) was used to provide evidence of transesterification reactions. The results showed that the spatial proximity between tertiary amine and hydroxyl groups significantly enhances the rate exchange, attributed to a neighboring group participation (NGP) effect. Interestingly, kinetic experiments using complementary NMR techniques revealed the thermal latency of the tertiary amine of benzoxazine toward transesterification reactions as its opening is needed to trigger the dynamic exchange. The study highlights the crucial role of steric hindrance and tertiary amine basicity in promoting the dynamic exchange in an internally catalyzed system. Transesterification ; Chemistry ; Thermogravimetric analysis ; Differential scanning calorimetry ; Catalysis ; Organic chemistry ; Tertiary amine ; Steric effects ; Amine gas treating ; Polymerization ; Polymer chemistry ; Polymer Polymer composites and self-healing ; Epoxy Resin Curing Processes ; Advanced Polymer Synthesis and Characterization
Authors: Prieložná Jarmila | Veronika Mikušová | Peter Mikuš
Source: International Journal of Pharmaceutics X (review, 2024-08-28)
Field: Materials Science — Biomaterials

Advances in the delivery of anticancer drugs by nanoparticles and chitosan-based nanoparticles Cancer is the leading cause of death globally, and conventional treatments have limited efficacy with severe side effects. The use of nanotechnology has the potential to reduce the side effects of drugs by creating efficient and controlled anticancer drug delivery systems. Nanoparticles (NPs) used as drug carriers offer several advantages, including enhanced drug protection, biodistribution, selectivity and, pharmacokinetics. Therefore, this review is devoted to various organic (lipid, polymeric) as well as inorganic nanoparticles based on different building units and providing a wide range of potent anticancer drug delivery systems. Within these nanoparticulate systems, chitosan (CS)-based NPs are discussed with particular emphasis due to the unique properties of CS and its derivatives including non-toxicity, biodegradability, mucoadhesivity, and tunable physico-chemical as well as biological properties allowing their alteration to specifically target cancer cells. In the context of streamlining the nanoparticulate drug delivery systems (DDS), innovative nanoplatform-based cancer therapy pathways involving passive and active targeting as well as stimuli-responsive DDS enhancing overall orthogonality of developed NP-DDS towards the target are included. The most up-to-date information on delivering anti-cancer drugs using modern dosage forms based on various nanoparticulate systems and, specifically, CSNPs, are summarised and evaluated concerning their benefits, limitations, and advanced applications. Drug delivery ; Nanotechnology ; Context (archaeology) ; Drug ; Chitosan ; Nanoparticle ; Biodistribution ; Chemistry ; Nanomedicine ; Pharmacology ; Materials science ; Medicine ; In vitro ; Organic chemistry ; Biochemistry ; Biology Nanoparticle-Based Drug Delivery ; Advanced Drug Delivery Systems ; RNA Interference and Gene Delivery
Authors: Wei Liu | Bo Pang | Meng Zhang | Jiayi Lv | Ting Xu | Long Bai | Xu‐Min Cai | Shuangquan Yao | Siqi Huan | Chuanling Si
Source: Aggregate (article, 2024-01-04)
Field: Materials Science — Materials Chemistry

Pickering multiphase materials using plant‐based cellulosic micro/nanoparticles Abstract Pickering multiphase systems stabilized by solid particles have recently attracted increasing attention due to their excellent stability. Among various solid stabilizers, natural and renewable cellulosic micro/nanoparticles that are derived from agricultural and forestry sources have become promising candidates for Pickering stabilization due to their unique morphological features and tunable surface properties. In this review, recent progress on forming and stabilizing Pickering multiphase systems using cellulosic colloidal particles is summarized, including the physicochemical factors affecting their assembly at the interfaces and the preparation methods suitable for producing Pickering emulsions. In addition, relevant application prospects of corresponding Pickering multiphase materials are outlined. Finally, current challenges and future perspectives of such renewable Pickering multiphase systems are presented. This review aims to encourage the utilization of cellulosic micro/nanoparticles as key components in the development of Pickering systems, leading to enhanced performance and unique functionalities. Cellulosic ethanol ; Pickering emulsion ; Materials science ; Nanotechnology ; Nanoparticle ; Cellulose ; Engineering ; Chemical engineering Pickering emulsions and particle stabilization ; Advanced Cellulose Research Studies ; Proteins in Food Systems
Authors: João Vicente Calazans Neto | Cícero Andrade Sigilião Celles | Catia Sufia Alves Freire de Andrade | Conrado Ramos Moreira Afonso | B Nagay | Valentim Adelino Ricardo Barão
Source: ACS Biomaterials Science & Engineering (review, 2024-08-31)
Field: Materials Science — Materials Chemistry

Recent Advances and Prospects in β-type Titanium Alloys for Dental Implants Applications Titanium and its alloys, especially Ti-6Al-4V, are widely studied in implantology for their favorable characteristics. However, challenges remain, such as the high modulus of elasticity and concerns about cytotoxicity. To resolve these issues, research focuses on β-type titanium alloys that incorporate elements such as Mo, Nb, Sn, and Ta to improve corrosion resistance and obtain a lower modulus of elasticity compatible with bone. This review comprehensively examines current β titanium alloys, evaluating their mechanical properties, in particular the modulus of elasticity, and corrosion resistance. To this end, a systematic literature search was carried out, where 81 articles were found to evaluate these outcomes. In addition, this review also covers the formation of the alloy, processing methods such as arc melting, and its physical, mechanical, electrochemical, tribological, and biological characteristics. Because β-Ti alloys have a modulus of elasticity closer to that of human bone compared to other metal alloys, they help reduce stress shielding. This is important because the alloy allows for a more even distribution of forces by having a modulus of elasticity more similar to that of bone. In addition, these alloys show good corrosion resistance due to the formation of a noble titanium oxide layer, facilitated by the incorporation of β stabilizers. These alloys also show significant improvements in mechanical strength and hardness. Finally, they also have lower cytotoxicity and bacterial adhesion, depending on the β stabilizer used. However, there are persistent challenges that require detailed research in critical areas, such as optimizing the composition of the alloy to achieve optimal properties in different clinical applications. In addition, it is crucial to study the long-term effects of implants on the human body and to advance the development of cutting-edge manufacturing techniques to guarantee the quality and biocompatibility of implants. Materials science ; Corrosion ; Titanium alloy ; Titanium ; Elastic modulus ; Alloy ; Stress shielding ; Elasticity (physics) ; Metallurgy ; Young's modulus ; Modulus ; Composite material ; Implant Titanium Alloys Microstructure and Properties ; Orthopaedic implants and arthroplasty ; Bone Tissue Engineering Materials
Authors: Ervin Rems | Yong‐Jie Hu | Yury Gogotsi | Robert Dominko
Source: Chemistry of Materials (article, 2024-10-11)
Field: Materials Science — Materials Chemistry

Pivotal Role of Surface Terminations in MXene Thermodynamic Stability MXenes, i.e., two-dimensional transition metal carbides and nitrides, have been reported as promising materials for various applications, including energy storage, biomedicine, and electronics. The family of MXenes has proliferated, and the chemical space of synthesized MXenes has expanded to 13 transition metals and a dozen elements in surface terminations. The diverse chemistry of MXenes enables systematical tuning of MXene properties to meet the needs of target applications. However, synthesizing new MXene compositions largely relies on a trial-and-error approach. To overcome it, computational predictions of MXene compositions that are thermodynamically stable are crucial to rationalize experimental efforts. Here, we report a comprehensive computational screening for thermodynamically stable MXenes across 29 transition metals and 11 surface terminations. Density functional theory calculations are employed to compute the energy above the convex energy hull as a descriptor of thermodynamic stability. The results are analyzed to explore factors crucial for determining the thermodynamic stability of MXenes, by which the chemistry of surface terminations is found to play a crucial role. The insights on the chemistry of 998 MXene compositions predicted to be (meta)stable are given to systematically guide further research on MXene synthesis and application. Stability (learning theory) ; Materials science ; Chemical stability ; Surface (topology) ; Nanotechnology ; Thermodynamics ; Computer science ; Physics ; Mathematics ; Geometry MXene and MAX Phase Materials ; Graphene research and applications ; 2D Materials and Applications
Authors: Timothy T. Duignan
Source: ACS Physical Chemistry Au (article, 2024-03-21)
Field: Materials Science — Materials Chemistry

The Potential of Neural Network Potentials In the next half-century, physical chemistry will likely undergo a profound transformation, driven predominantly by the combination of recent advances in quantum chemistry and machine learning (ML). Specifically, equivariant neural network potentials (NNPs) are a breakthrough new tool that are already enabling us to simulate systems at the molecular scale with unprecedented accuracy and speed, relying on nothing but fundamental physical laws. The continued development of this approach will realize Paul Dirac's 80-year-old vision of using quantum mechanics to unify physics with chemistry and providing invaluable tools for understanding materials science, biology, earth sciences, and beyond. The era of highly accurate and efficient first-principles molecular simulations will provide a wealth of training data that can be used to build automated computational methodologies, using tools such as diffusion models, for the design and optimization of systems at the molecular scale. Large language models (LLMs) will also evolve into increasingly indispensable tools for literature review, coding, idea generation, and scientific writing. Artificial neural network ; Computer science ; Neuroscience ; Artificial intelligence ; Psychology Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Neural Networks and Applications
Authors: Yuanbin Liu | Ata Madanchi | Andy S. Anker | Lena Simine | Volker L. Deringer
Source: Nature Reviews Materials (review, 2024-12-16)
Field: Materials Science — Materials Chemistry

The amorphous state as a frontier in computational materials design Frontier ; State (computer science) ; Amorphous solid ; Materials science ; Engineering physics ; Computer science ; Physics ; Chemistry ; Geography ; Algorithm ; Archaeology ; Crystallography Machine Learning in Materials Science ; X-ray Diffraction in Crystallography ; Phase-change materials and chalcogenides
Authors: Anna Lappala
Source: Current Opinion in Structural Biology (review, 2024-09-21)
Field: Materials Science — Materials Chemistry

The next revolution in computational simulations: Harnessing AI and quantum computing in molecular dynamics Interpretability ; Computer science ; Multidisciplinary approach ; Exploit ; Molecular dynamics ; Computational model ; Data science ; Artificial intelligence ; Computational science ; Chemistry Machine Learning in Materials Science ; Protein Structure and Dynamics ; Quantum Computing Algorithms and Architecture
Authors: Yankun Wang | He Sun | Zhuxian Yang | Yanqiu Zhu | Yongde Xia
Source: Carbon Neutralization (article, 2024-07-01)
Field: Chemistry — Inorganic Chemistry

Bismuth‐based metal‐organic frameworks and derivatives for photocatalytic applications in energy and environment: Advances and challenges Abstract Photocatalysis is an environmentally friendly technology for the utilizations of solar energy and has garnered significant attention in both scientific and industrial sectors. Developing cost‐effective semiconductive materials is the core issue in photocatalysis. Bismuth‐based metal‐organic frameworks (Bi‐MOFs) have emerged as attractive candidates in various photocatalytic applications, and Bi‐MOFs derivatives further expand and consolidate their promising potential in the realm of photocatalysis. Various modification strategies including in‐situ tailoring or external doping, as well as meticulous design and selection of metal nodes and organic linkers allow for fine control over the surface multifunctionality in Bi‐MOF‐based and derived photocatalytic composites with adjustable energy band structures and enhanced photocatalytic performance. In this review, the recent progress in the synthesis of diverse Bi‐MOFs‐based materials, Bi‐MOFs derivatives, and their Bi‐containing semiconductive composites were systemically analyzed and reviewed. The state‐of‐the‐art research progresses in the applications of Bi‐MOFs and derivatives, as well as composites in photocatalytic water splitting for hydrogen production, photodegradation of organic pollutants, and photocatalytic carbon dioxide reduction are comprehensively summarized. The relationships between structures, properties, and photocatalytic performance of Bi‐based semiconductive composites are discussed in detail. In addition, the perspectives and future challenges on Bi‐MOFs‐based and derived materials for photocatalytic applications are also offered. Photocatalysis ; Bismuth ; Materials science ; Metal-organic framework ; Photodegradation ; Nanotechnology ; Environmentally friendly ; Catalysis ; Chemistry ; Organic chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques
Authors: Liping Ding | Peng Shao | Yuling Yin | Feng Ding
Source: Advanced Functional Materials (article, 2024-04-04)
Field: Materials Science — Materials Chemistry

Synthesis of 2D Phosphorene: Current Status and Challenges Abstract Phosphorene, a 2D(two‐dimensional) material, holds immense promise in various applications due to its unique properties. Here, a comprehensive overview of their recent synthesis progresses, with a specific focus on three phosphorene varieties: black phosphorene, blue phosphorene, and violet phosphorene is provided. Black phosphorene, given its versatile properties, is extensively studied, but the challenges persist in achieving scalable production with high quality and controllable thicknesses. The synthesis of blue phosphorene involves epitaxial methods but results in relatively small structures, limiting its practical applications. Notably, the successful synthesis of violet phosphorene remains limited, achieved only through mechanical and liquid‐phase exfoliation (LPE) methods. Despite significant progression in phosphorene synthesis, a critical need is emphasized for a cost‐effective and easily controllable method capable of efficiently managing the thickness of phosphorene. The challenges, such as scalability issues and the presence of impurities, highlight the complexity of phosphorene preparation methods. The review emphasizes the importance of continued scientific engagement to overcome these obstacles and advance the research topic. In essence, while phosphorene shows great potential, unlocking its full range of applications requires further research and innovation in synthesis methodologies. Phosphorene ; Current (fluid) ; Materials science ; Nanotechnology ; Physics ; Graphene 2D Materials and Applications ; MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques