jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Tao Chen | Puqing Jiang
Source: Physical Review Applied (preprint, 2025-04-02)
Field: Materials Science — Materials Chemistry

Decoupling thermal properties in multilayered systems for advanced thermoreflectance experiments Thermoreflectance techniques, such as time-domain thermoreflectance (TDTR), frequency-domain thermoreflectance (FDTR), and the square-pulsed source (SPS) method, are powerful tools for characterizing thermal properties in bulk and thin-film materials. However, accurately interpreting their signals remains challenging due to intricate interdependencies among experimental variables. This study introduces a systematic framework based on singular-value decomposition (SVD) to decouple these interdependent parameters and enhance the reliability of thermal property extraction. By applying SVD to the sensitivity matrix, we identify key parameter combinations and establish essential dimensionless numbers that govern thermoreflectance signals. The framework is applied to a $\mathrm{Ga}\mathrm{N}/\mathrm{Si}$ heterostructure, where the performance of TDTR, FDTR, and SPS are evaluated. Results show a high degree of consistency across all three techniques, with the improved understanding enabling precise and simultaneous extraction of up to seven key thermal properties, including thermal conductivity, heat capacity, and interfacial thermal conductance of the $\mathrm{Ga}\mathrm{N}/\mathrm{Si}$ multilayer system. This framework not only improves the precision of thermoreflectance measurements but also lays a foundation for advanced thermal metrology in both research and industrial applications. Decoupling (probability) ; Thermal ; Materials science ; Computer science ; Reliability engineering ; Physics ; Engineering ; Control engineering ; Thermodynamics Thermal properties of materials ; Synthesis and properties of polymers ; High voltage insulation and dielectric phenomena
Authors: Alok Kumar | Glory James | Ravari Kandy Aparna | Sukhendu Mandal
Source: Chemical Communications (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Rational design and synthesis of atomically precise nanocluster-based nanocomposites: a step towards environmental catalysis Atomically precise metal nanoclusters (NCs) and metal-organic frameworks (MOFs) possess distinct properties that can present challenges in certain applications. However, integrating these materials to create new composite functional materials has gained significant interest due to their unique characteristics through a range of applications, particularly in catalysis. Considering MOFs as hosts and NCs as guests, several synergistic effects have been observed in composites, particularly in environmental catalytic reactions. However, the precise role of encapsulated NCs within the MOF pore structure is still in its infancy. Besides, stabilizing NCs, whether through intact ligands or without ligands <i>via</i> the MOF host, presents challenges that are currently being investigated. This feature article reviews recent advancements in the synthesis of NC@MOF composites, focusing on cutting-edge strategies for selecting MOFs and the roles of NC ligands, as well as characterization and catalytic applications. Nanoclusters ; Nanotechnology ; Catalysis ; Materials science ; Nanocomposite ; Rational design ; Characterization (materials science) ; Metal-organic framework ; Chemistry ; Organic chemistry ; Adsorption Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Junjia Zhang | Yian Wang | Yinglu Liu | Jérémy Odent | Yukikazu Takeoka
Source: Polymer Chemistry (article, 2025-01-01)
Field: Materials Science — Biomaterials

Covalent design of ionogels: bridging with hydrogels and covalent adaptable networks Ionogels with novel properties draw inspiration from the outstanding covalent designs of hydrogels and covalent adaptable networks. Bridging (networking) ; Covalent bond ; Self-healing hydrogels ; Chemistry ; Chemical engineering ; Nanotechnology ; Polymer chemistry ; Computer science ; Materials science ; Organic chemistry ; Computer network ; Engineering Supramolecular Self-Assembly in Materials
Authors: Zheng Yin | Qi Sun | Zhu Wu | Yincai Xu | Zongliang Xie | Bin Liu
Source: Aggregate (article, 2025-09-10)
Field: Materials Science — Materials Chemistry

Dopant Deuteration Enables Long‐lived Room‐temperature Phosphorescence ABSTRACT Organic host–guest systems exhibiting room‐temperature phosphorescence (RTP) hold great promise for sensing, encryption, and bioimaging. However, achieving both long lifetimes and high efficiency remains challenging, as enhanced spin–orbit coupling (SOC) often competes with efficient intersystem crossing (ISC). We report an isotope‐engineering strategy that overcomes the lifetime–efficiency trade‐off in classical carbazole (Cz) host–guest systems. Doping just 0.5 wt% of deuterated 1H‐benzo[f]indole (BdD8) into Cz extends the RTP lifetime from 0.485 to 1.771 s, a 3.65‐fold enhancement without compromising the phosphorescence quantum yield. Replacing the N–H group in BdD8 with a CD3 moiety (BdD8CD3) and using a methylated host (CzCH3) further extends the RTP lifetime to 1.870 s. This improvement arises from isotope‐induced suppression of non‐radiative decay and enhancement of ISC, as evidenced by a reduction in the non‐radiative rate from 2.01 to 0.51 s −1 and an increase in the ISC rate from 4.91 × 10⁷ s −1 to 6.21 × 10⁷ s −1 . Building on this success, we applied the strategy to benzo[b]carbazole (BCz) derivatives, which similarly exhibited enhanced RTP performance. Finally, we demonstrate time‐resolved multi‐information encoding enabled by this ultralong afterglow system. Phosphorescence ; Intersystem crossing ; Persistent luminescence ; Dopant ; Afterglow ; Moiety ; Carbazole Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Atomic and Subatomic Physics Research
Authors: Giuseppina Anna Corrente | Agostina Lina Capodilupo | Gianluca Accorsi | Francesca Scarpelli | Alessandra Crispini | Amerigo Beneduci
Source: SmartMat (article, 2025-06-01)
Field: Materials Science — Materials Chemistry

Multi‐Stimuli Responsive Ionic Liquid Crystals: The Fluorenoviologens ABSTRACT Materials capable of tunable optical absorption and fluorescence properties in response to multiple external stimuli, while providing a readable signal, have garnered significant scientific interest. Such materials hold promise for applications in wearable electronics, anticounterfeiting technologies, self‐powered light sources and displays, human–machine interfaces, and intelligent sensing systems. A highly effective approach to achieving multi‐stimuli optical responsiveness is to integrate various functionalities into a single structure, such as reversible electrochemistry, ion and electronic charge transport, photoluminescence, and supramolecular organization (e.g., mesomorphism). Here, we introduce a new class of thermotropic smectic ionic liquid crystals, composed of the bistriflimide salts of π‐conjugated fluorenoviologen dications. The dications feature a central fluorene core functionalized in position 2,7 with two pyridine moieties, whose nitrogen atoms are alkylated with promesogenic alkyl chains of varying lengths. In their bulk liquid crystalline phases, these materials exhibit ON/OFF electrofluorochromism (under UV photoexcitation), with voltage‐triggered fluorescence quenching and a shift from yellow to dark electrochromism. Additionally, they display thermofluorochromism, showing a striking fluorescence color change from green to blue on going from the crystalline solid phase at room temperature to the liquid crystalline phases at high temperatures. Electrochromism ; Materials science ; Thermotropic crystal ; Ionic liquid ; Supramolecular chemistry ; Photoluminescence ; Liquid crystal ; Organic electronics ; Quenching (fluorescence) ; Fluorescence ; Ionic bonding ; Polyfluorene ; Photochemistry ; Nanotechnology ; Ion ; Chemical physics ; Optoelectronics ; Liquid crystalline ; Chemistry ; Molecule ; Organic chemistry ; Electroluminescence ; Electrode ; Physical chemistry ; Optics Luminescence and Fluorescent Materials ; Ionic liquids properties and applications ; Porphyrin and Phthalocyanine Chemistry
Authors: Artur Brotons‐Rufes | Sergio Posada‐Pérez | Juan Pablo Martínez | Steven P. Nolan | Albert Poater
Source: Coordination Chemistry Reviews (article, 2025-06-11)
Field: Chemistry — Organic Chemistry

Challenges in olefin metathesis: past, present and future Olefin metathesis has become a cornerstone in modern synthetic chemistry, enabling diverse applications across organic synthesis, polymer science, and industrial processes. Despite its transformative impact, significant challenges persist, including catalyst stability, functional group tolerance, selectivity, and scalability. Ruthenium-based catalysts dominate the field, yet their sensitivity to oxygen, moisture, and harsh conditions limits industrial applicability. Functional group incompatibility and the difficulty in achieving precise product selectivity further hinder its versatility, particularly in cross-metathesis (CM) and ring-closing metathesis (RCM). Advances in catalyst recycling, green chemistry practices, and alternative systems using earth-abundant metals like iron are promising but remain underdeveloped. Expanding substrate scope, improving mechanistic understanding, and integrating metathesis with other catalytic processes offer opportunities for innovation. Addressing these issues through predictive catalysis, novel ligand design, and artificial intelligence-driven insights will enhance the sustainability and efficiency of metathesis, cementing its role as a pivotal reaction in future chemical synthesis. • Olefin Metathesis is key in modern synthesis, supporting green chemistry in organic, polymer, and industrial applications. • Ruthenium catalysts dominate, but issues such as stability, functional group tolerance, and decomposition limit efficiency and scalability. • Advances in catalyst design, such as CAAC ligands, have improved Z-selectivity in cross-metathesis reactions. • Research is focused on developing more sustainable, earth-abundant metal catalysts like iron and manganese. • Achieving precise control in CM reactions remains a significant challenge, necessitating tailored catalyst structures. Chemistry ; Olefin metathesis ; Metathesis ; Olefin fiber ; Salt metathesis reaction ; Combinatorial chemistry ; Organic chemistry ; Nanotechnology ; Catalysis Synthetic Organic Chemistry Methods ; Chemical Synthesis and Analysis ; Model-Driven Software Engineering Techniques
Authors: Lin Huang | Chao Zhang | Yun Fu | Yibin Jiang | Enyuan He | Ming‐Qiang Qi | Ming‐Hao Du | Xiang‐Jian Kong | Jun Cheng | Leroy Cronin | Cheng Wang
Source: Journal of the American Chemical Society (article, 2025-06-17)
Field: Materials Science — Materials Chemistry

Natural-Language-Interfaced Robotic Synthesis for AI-Copilot-Assisted Exploration of Inorganic Materials The automation of chemical synthesis presents opportunities to enhance experimental reproducibility and accelerate discovery. Traditional closed-loop approaches, while effective in specific domains, are often constrained by rigid workflows and the requirement for specialized expertise. Here, we introduce a chemical robotic explorer integrated with an artificial intelligence (AI) copilot to enable a more flexible and adaptive synthesis, simplifying the process from inspiration to experimentation. This modular platform uses a large language model (LLM) to map natural language synthetic descriptions to executable unit operations, including temperature control, stirring, liquid and solid handling, filtration, etc. By integrating AI-driven literature searches, real-time experimental design, conversational human-AI interaction, and feedback-based optimization, we demonstrate the capabilities of AI in successfully synthesizing 13 compounds across four distinct classes of inorganic materials: coordination complexes, metal-organic frameworks, nanoparticles, and polyoxometalates. Notably, this approach enabled the discovery of a previously unreported family of Mn-W polyoxometalate clusters, showing the potential of AI-enhanced robotics as a generalizable and adaptable platform for material innovation. Modular design ; Executable ; Automation ; Robotics ; Workflow ; Artificial intelligence ; Process (computing) ; Computer science ; Chemistry ; Polyoxometalate ; Nanotechnology ; Robot ; Programming language ; Engineering ; Database ; Mechanical engineering Polyoxometalates: Synthesis and Applications ; Machine Learning in Materials Science ; Advanced Photocatalysis Techniques
Authors: Amul Jain | S.C. Goswami | Sanjib Banerjee
Source: Macromolecular Chemistry and Physics (article, 2025-05-14)
Field: Materials Science — Polymers and Plastics

Advances in Self‐Healing Polymers: Mechanisms, Applications, and Future Perspectives Abstract Advanced materials called self‐healing polymers are made to replicate biological processes and fix damage on their own. These polymers solve important issues with performance, sustainability, and durability in a range of applications. Their processes can be roughly divided between extrinsic systems, which use external agents, and intrinsic systems, which rely on reversible chemical connections (covalent or supramolecular). Their mechanical and functional qualities have been improved by recent developments such as dynamic covalent bonding, shape‐memory materials, and nanotechnology. These polymeric materials have a variety of uses, including enhanced safety and longevity in aerospace by fixing cracks in structural elements. They are used in biomedicine for implanted devices, hydrogels, and tissue engineering because they are biocompatible and have the ability to repair themselves dynamically. Self‐healing technologies help renewable energy systems by making solar panels and wind turbine blades more durable. These materials allow for the creation of robust and adaptable structures using 3D printing. It is anticipated that cutting‐edge technologies like artificial intelligence and nanotechnology will further enhance self‐healing mechanisms, opening the door for sustainable, multipurpose materials. In material science, self‐healing polymers have revolutionary potential to address the increasing need for creative, long‐lasting, and environmentally friendly solutions. Nanotechnology ; Self-healing hydrogels ; Biomimetics ; Self-healing ; Biocompatible material ; Materials science ; Self-healing material ; Durability ; Environmentally friendly ; Smart material ; Biomimetic materials ; Supramolecular polymers ; Polymer ; Supramolecular chemistry ; Engineering ; Composite material ; Chemistry ; Biomedical engineering ; Polymer chemistry Polymer composites and self-healing ; biodegradable polymer synthesis and properties ; Polydiacetylene-based materials and applications
Authors: Hongyu Niu | Yakun Cao | Ke Yang | Hanhai Dong | Qingli Cheng | Yanru Chen
Source: Composites Part A Applied Science and Manufacturing (article, 2025-09-08)
Field: Materials Science — Materials Chemistry

Review of boron nitride based polymer composites with ultrahigh thermal conductivity: Critical strategies and applications Boron nitride ; Fabrication ; Thermal conductivity ; Electrical conductor ; Filler (materials) ; Thermal management of electronic devices and systems ; Flexibility (engineering) ; Hexagonal boron nitride ; Electronics Thermal properties of materials ; Graphene research and applications ; Composite Material Mechanics
Authors: Cancan Li | Lindong Ma | Zhenjie Xue | Wei Li | Shan Zhu | Tie Wang
Source: Advanced Science (review, 2025-04-26)
Field: Materials Science — Materials Chemistry

Pushing the Frontiers: Artificial Intelligence (AI)‐Guided Programmable Concepts in Binary Self‐Assembly of Colloidal Nanoparticles Colloidal nanoparticle self-assembly is a key area in nanomaterials science, renowned for its ability to design metamaterials with tailored functionalities through a bottom-up approach. Over the past three decades, advancements in nanoparticle synthesis and assembly control methods have propelled the transition from single-component to binary assemblies. While binary assembly has been recognized as a significant concept in materials design, its potential for intelligent and customized assembly has often been overlooked. It is argued that the future trend in the assembly of binary nanocrystalline superlattices (BNLSs) can be analogous to the '0s' and '1s' in computer programming, and customizing their assembly through precise control of these basic units could significantly expand their application scope. This review briefly recaps the developmental trajectory of nanoparticle assembly, tracing its evolution from simple single-component assemblies to complex binary co-assemblies and the unique property changes they induce. Of particular significance, this review explores the future prospects of binary co-assembly, viewed through the lens of 'AI-guided programmable assembly'. Such an approach has the potential to shift the paradigm from passive assembly to active, intelligent design, leading to the creation of new materials with disruptive properties and functionalities and driving profound changes across multiple high-tech fields. Nanoparticle ; Nanotechnology ; Self-assembly ; Binary number ; Colloid ; Colloidal particle ; Materials science ; Computer science ; Artificial intelligence ; Engineering ; Chemical engineering ; Mathematics Quantum Dots Synthesis And Properties ; Gold and Silver Nanoparticles Synthesis and Applications ; Pickering emulsions and particle stabilization
Authors: Qibin Liu | Z.P. Chen | Anthony Guiseppi‐Elie | Fanling Meng | Liang Luo
Source: Smart Molecules (review, 2025-03-20)
Field: Materials Science — Biomaterials

Recent progress on nanotechnologies for enhancing blood‐brain barrier permeability The blood-brain barrier (BBB) is a substantial impediment to effectively delivering central nervous system (CNS) therapies. In this review, we provide a comprehensive dissection of the BBB's elaborate structure and function and discuss the inherent limitations of conventional drug delivery mechanisms due to its impermeability. We summarized the creative deployment of nanocarriers, the astute modification of small molecules to bolster their CNS penetration capabilities as well as the burgeoning potential of magnetic nanoparticles and optical techniques that are positioned to enable more precise and targeted drug delivery across the BBB and we discuss the current clinical application of some nanomedicines. In addition, we emphasize the indispensable role of artificial intelligence in designing novel materials and the paramount significance of interdisciplinary research in surmounting clinical challenges associated with BBB penetration. Our review meticulously integrates these insights to accentuate the impact of nanotechnological innovations in BBB research and CNS disease management. It presents a promising trajectory for the evolution of patient care in neurological disorders and suggests that these scientific strides could lead to more efficacious treatments and improved outcomes for those afflicted with such conditions. Nanocarriers ; Nanotechnology ; Blood–brain barrier ; Drug delivery ; Neuroscience ; Risk analysis (engineering) ; Computer science ; Brain function ; Medicine ; Central nervous system ; Psychology ; Materials science Nanoparticle-Based Drug Delivery ; Gold and Silver Nanoparticles Synthesis and Applications ; Epilepsy research and treatment
Authors: Alituniguli Maimaiti | Bing Yan
Source: Advanced Functional Materials (article, 2025-03-05)
Field: Materials Science — Materials Chemistry

Detecting Like a Dog: Biomimetic Olfactory Sensory Fiber for Ultrasensitive Tracing of Illicit Drugs Simulants Based on Photoluminescent HOF Nanosheets Abstract Developing phosphorescent sensors for the sensitive identification of illicit drugs simulants remain significant challenges, particularly when integrating nanomaterials. Inspired by the capillary structures in a dog's nose, the phosphorescent 2D HOF nanosheets with graphene‐like structure are prepared via the host–guest interaction, which emit both fluorescence and phosphorescence signals. This leads to the fabrication of a dual‐emissive ratiometric probe (Eu@CAM‐PPA) for ultrasensitive liquid phase detection of illicit drug simulants. Additionally, a bionic hydrogel fiber using aqueous interfacial cross‐linking is designed, demonstrating potential for vapor phase tracing of illicit drug simulants. Additionally, AI‐assisted bionic sensors are employed to identify illicit drug simulant vapors with high precision by detecting specific odor fingerprints. Priority to the reported chemical sensors, this work has introduced fluorescence and phosphorescence dual signals, providing a prospective tool for on‐site and real‐time detection of illicit drug simulants. Most importantly, this work bridges the gap of phosphorescent detection on illicit drugs simulants in both liquid and vapor phase based on the integration of nanomaterials, ultimately achieving the significant advancements in sensing field. Phosphorescence ; Materials science ; Nanomaterials ; Nanotechnology ; Drug detection ; Fluorescence ; Photoluminescence ; Chemistry ; Optoelectronics ; Chromatography Luminescence and Fluorescent Materials ; Polydiacetylene-based materials and applications ; Advanced Chemical Sensor Technologies
Authors: Qiuping Wang | Yuen Wu | Yu Mao | Lei Zheng
Source: Trends in Food Science & Technology (article, 2025-02-07)
Field: Materials Science — Materials Chemistry

Single-atom nanozymes: Recent advances and perspectives toward application in food analysis Nanotechnology ; Data science ; Computer science ; Materials science Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Nanocluster Synthesis and Applications
Authors: Alemayehu Kidanemariam | Sungbo Cho
Source: Biosensors (review, 2025-07-07)
Field: Materials Science — Materials Chemistry

Recent Advances in Metal–Organic Framework-Based Nanozymes for Intelligent Microbial Biosensing: A Comprehensive Review of Biomedical and Environmental Applications Metal-organic framework (MOF)-based nanozymes represent a groundbreaking frontier in advanced microbial biosensing, offering unparalleled catalytic precision and structural tunability to mimic natural enzymes with superior stability and specificity. By engineering the structural features and forming composites, MOFs are precisely tailored to amplify nanozymatic activity, enabling the highly sensitive, rapid, and cost-effective detection of a broad spectrum of microbial pathogens critical to biomedical diagnostics and environmental monitoring. These advanced biosensors surpass traditional enzyme systems in robustness and reusability, integrating seamlessly with smart diagnostic platforms for real-time, on-site microbial identification. This review highlights cutting-edge developments in MOF nanozyme design, composite engineering, and signal transduction integration while addressing pivotal challenges such as biocompatibility, complex matrix interference, and scalable manufacturing. Looking ahead, the convergence of multifunctional MOF nanozymes with portable technologies and optimized in vivo performance will drive transformative breakthroughs in early disease detection, antimicrobial resistance surveillance, and environmental pathogen control, establishing a new paradigm in next-generation smart biosensing. Nanotechnology ; Biosensor ; Reusability ; Biochemical engineering ; Computer science ; Systems engineering ; Engineering ; Materials science Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Nanoplatforms for cancer theranostics