jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Wenqing Rao | Fang Chen | Jiang Gong
Source: Chemistry - A European Journal (article, 2026-01-06)
Field: Chemistry — Inorganic Chemistry

Waste‐to‐MOF: Upcycling of Waste Polyimide Into Europium‐Based Metal‐Organic Framework as Efficient Fluorescence Sensor of Biogenic Amines The fluorescence sensing method based on lanthanide metal-organic frameworks (Ln-MOFs) offers high sensitivity, selectivity, and rapid, real-time detection of biogenic amines (BAs). However, their high cost, complex synthesis, and unclear sensing mechanism limit practical application. Herein, waste polyimide is utilized as a precursor to synthesize Eu-1,2,4,5-benzenetetracarboxylic acid (Eu-BTEC) via a two-step hydrothermal-solution method. Under optimum conditions, the obtained Eu-BTEC exhibits excellent fluorescence selectivity and sensitivity toward cadaverine, with an apparent constant of 1.58 ×10<sup>6</sup> L·mol<sup>-1</sup> and a detection limit of 0.17 µmol·L<sup>-1</sup>. Density functional theory calculations reveal that the amino groups of cadaverine donate electrons to Eu<sup>3+</sup>, blocking the intramolecular electron transfer from the benzene ligand to Eu<sup>3+</sup>. Owing to the absence of chromophores in cadaverine, this electron transfer leads to luminescence quenching of Eu-BTEC. To achieve visual and portable detection, Eu-BTEC-based fluorescence test strips were fabricated by spraying its suspension onto filter paper, enabling visual quantification of cadaverine (0.50 µmol·L<sup>-1</sup>) under UV light. This study not only provides a sustainable route for converting waste polyimide into Ln-MOFs but also elucidates the BA sensing mechanism through HOMO-LUMO band-gap and electron-density analyses, offering new insights into the fluorescence quenching process of Ln-MOFs. Polyimide ; Detection limit ; Fluorescence ; Intramolecular force ; Electron transfer ; Luminescence ; Quenching (fluorescence) ; Lanthanide Metal-Organic Frameworks: Synthesis and Applications ; Carbon and Quantum Dots Applications ; Polyamine Metabolism and Applications
Authors: Lihao Tang | Zijun Cui | Fei Xie | Xiaohui Rong | Yong-Sheng Hu | Yaxiang Lu
Source: Batteries (article, 2026-02-04)
Field: Materials Science — Materials Chemistry

Advances in All-Solid-State Batteries Based on Chloride Solid Electrolytes Driven by the imperative for enhanced battery safety, solid electrolytes have emerged as a leading strategy in next-generation energy storage technologies. Beyond conventional polymer, oxide, and sulfide systems, chloride-based inorganic solid electrolytes have recently garnered significant attention due to their unique combination of high ionic conductivity, favorable electrochemical stability, and processability. This work presents a comprehensive review of chloride solid electrolytes, examining their crystal structures, synthesis approaches, ionic transport mechanisms, and physicochemical stability under operational conditions. Furthermore, we discuss critical considerations for integrating these materials into practical all-solid-state batteries (ASSBs), including performance across wide temperature ranges, scalable cell fabrication methods, and cost-effectiveness. By bridging fundamental material properties with device-level engineering challenges, this review aims to provide a roadmap for future research and development, highlighting the substantial promise of chloride electrolytes in enabling safe, high-performance solid-state batteries. Electrolyte ; Fast ion conductor ; Electrochemistry ; Battery (electricity) ; Energy storage ; Ionic conductivity ; Electrochemical energy storage ; Ionic bonding Thermal Expansion and Ionic Conductivity ; Advanced Battery Materials and Technologies ; Inorganic Fluorides and Related Compounds
Authors: Shiwei Zhang | Lu Tao | Qi Sun | Deqiang Liang
Source: Advanced Synthesis & Catalysis (article, 2026-02-15)
Field: Chemistry — Organic Chemistry

Electrophotocatalytic Radical Cyclizations Cyclization reactions are pivotal for constructing cyclic scaffolds in pharmaceuticals, natural products, and functional materials. The emerging electrophotocatalytic cyclization synergistically merges the unique activation modes of photoexcitation with the precise electron‐transfer control offered by electrochemistry, mitigating the inherent limitations of standalone photocatalysis and electrocatalysis. Specifically, it overcomes the constrained redox window of photocatalysis and the mass transport issues of electrocatalysis, enabling net‐oxidative cyclizations under mild and external oxidant‐free conditions with H 2 as the byproduct. This review summarizes recent advances in electrophotocatalytic radical cyclizations, categorized by substrates (alkenes, alkynes, and non‐alkene/alkyne scaffolds). Reaction mechanisms, characteristics, scopes, and key innovations are discussed, highlighting the distinctive reactivities and selectivities unlocked by this synergistic approach. The current challenges and future perspectives in this rapidly evolving field are also outlined. Photoexcitation ; Photocatalysis ; Redox ; Radical ; Reaction conditions ; Catalysis Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Oxidative Organic Chemistry Reactions
Authors: Zhuangzhuang Ma | Zelin Ma | Minghao Lou | Fuqiang Zhao | Jiale Zhang | Wanting Li | Hongqiang Wang | Lichao Jia
Source: Materials and Solidification (article, 2026-02-27)
Field: Materials Science — Materials Chemistry

MXene–reinforced dynamic ionogels with synergistic interfacial interactions for high-performance flexible sensing applications Achieving an optimal balance between mechanical durability and electrical conductivity represents a persistent challenge in the development of soft ionic conductors for wearable sensing technologies. In this study, a dynamic ionogel composed of a 1-ethyl-3-methylimidazolium ethyl sulfate (EMIES)-infused acrylic acid-acrylamide (AA-AAm) copolymer matrix reinforced with Ti<sub>3</sub>C<sub>2</sub>T<sub>X</sub> MXene nanosheets was synthesized via a photopolymerization process. The MXene nanosheets serve as multifunctional dynamic crosslinkers, establishing multiple reversible interactions with the copolymer matrix, including hydrogen bonding, electrostatic interactions, and titanium-oxygen (Ti-O) coordination. These synergistic interfacial couplings contribute to the formation of a hierarchical network that facilitates mechanical energy dissipation while preserving effective ion transport pathways. The optimized ionogel demonstrates exceptional mechanical and electrical performance, including a tensile strain of 699%, tensile strength of 3.04 MPa, toughness of 7.84 MJ·m<sup>-3</sup>, ionic conductivity of 0.031 S·m<sup>-1</sup>, and self-healing efficiency of approximately 85.4% following 24 hours of recovery. When configured as a flexible strain sensor, the ionogel achieves a rapid response time of 187 milliseconds, a strain detection range up to 300% and maintains stable performance over 2500 mechanical loading-unloading cycles. The sensor enables continuous, real-time monitoring of biomechanical signals, including joint movement, phonation, and arterial pulse waveforms. This study presents a versatile interfacial engineering strategy for the fabrication of MXene-based dynamic ionogels, offering a promising platform for the development of mechanically resilient and electrically stable materials intended for next-generation flexible bioelectronic interfaces. Toughness ; Fabrication ; Electrical conductor ; Ultimate tensile strength ; Ionic bonding ; Durability ; Copolymer ; Piezoresistive effect ; Electrode MXene and MAX Phase Materials ; Advanced Sensor and Energy Harvesting Materials ; Gas Sensing Nanomaterials and Sensors
Authors: A. K. Kareem | Musallam A. Tabook | Esraa H. J. Mahdi | Ahmed Said Badawy | M. M. Rekha | Laxmidhar Maharana | P. Grace Kanmani Prince | Gurpreet Kaur | Hamza Fadhel Hamzah | Nadia Sarhan
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Indium phosphide quantum dots: advanced synthesis, surface engineering, and biomedical applications in imaging, sensing, and therapy Indium phosphide quantum dots (InP QDs) are emerging as non-toxic, tunable, and biocompatible semiconductor nanomaterials with transformative potential in biomedical applications. This review highlights cutting-edge synthesis methods, including nonclassical nucleation and scalable production, alongside innovative surface engineering techniques such as ligand exchange, polymer coatings, and inorganic passivation to overcome challenges like surface defects and indium release. We explore their superior near-infrared (NIR) emission and low cytotoxicity, enabling high-sensitivity NIR bioimaging, resonance energy transfer-based biosensing, photodynamic therapy, drug delivery, and neural prosthetics. Compared to other nanoparticles, InP QDs offer enhanced NIR performance and regulatory compliance, making them economically viable for diagnostics and therapeutics. By addressing safety concerns through advanced shell designs and safer precursors, InP QDs pave the way for clinical translation. This review, with a focused emphasis on the biomedical translation of InP QDs, provides a structured roadmap for researchers and clinicians to harness their potential in next-generation healthcare solutions. Indium phosphide ; Quantum dot ; Nanomaterials ; Passivation ; Biocompatible material ; Indium Quantum Dots Synthesis And Properties ; Silicon Nanostructures and Photoluminescence ; Carbon and Quantum Dots Applications
Authors: Anastasia K. Lavrinenko | Theodosios Famprikis | Victor Landgraf | Jouke R. Heringa | Stef Smeets | Victor Azizi | Simone Ciarella | Marnix Wagemaker | Alexandros Vasileiadis
Source: ChemRxiv (article, 2026-01-23)
Field: Materials Science — Materials Chemistry

GEMDAT: A Python Toolkit for Site-Resolved Diffusion Analysis in Solid-State Molecular Dynamics Molecular dynamics (MD) simulations have become essential for understanding diffusion mechanisms in solid-state materials, including ionic conductors, fuel cells, and gas sensors. Most existing studies and software packages, however, extract only basic information-tracer diffusivity and activation energies, usually assuming Arrhenius behaviour. But MD trajectories contain far more information than these standard metrics reveal. To unlock this hidden potential, we introduce GEMDAT-a user-friendly Pythonbased analysis tool designed to extract detailed diffusional properties from MD simulations of solid-state materials (https://github.com/GEMDAT-repos/GEMDAT.git). GEMDAT allows users to analyse the environment around atomic sites where species migration occurs and examine discrete jump events. The user can define these sites manually or allow GEMDAT to automatically identify them from MD simulation. Our tool provides access to vibrational amplitudes, site geometries, and site occupancies by mobile species-quantities that are also valuable for interpreting experimental diffraction data. In addition to basic properties such as mean-square displacements, radial distribution functions, and Arrhenius-based activation energies, GEMDAT calculates a wide range of diffusion-related properties, including jump rates, attempt frequencies, site-specific activation energies, collective motion, and rotational diffusion. To make the analysis workflow more efficient, GEMDAT caches data after the initial run, speeding up subsequent analyses, and generates visualizations for rapid interpretation of results. We demonstrate the application of GEMDAT on several case studies involving Li-and Na-ion conductors and plastic crystals. These examples showcase how the code extracts atomic-level structural features and connects them to macroscopic transport properties, guiding the optimization and development of solid-state materials. Python (programming language) ; Workflow ; Molecular dynamics ; Software ; Source code ; Diffusion ; Jump ; Range (aeronautics) Machine Learning in Materials Science ; Advanced Battery Materials and Technologies ; Thermal Expansion and Ionic Conductivity
Authors: Lu‐Yao Wang | Ting Liu | Wei‐Zhen Wang | Xinglei He | Ke‐Yin Ye
Source: Advanced Synthesis & Catalysis (article, 2026-02-15)
Field: Chemistry — Organic Chemistry

Electrochemical Migratory Cyclization of <i>N</i> ‐Acylsulfonimide and <i>N</i> ‐Arylsulfonyl Benzothiamide An electrochemical migratory cyclization of N ‐acylsulfonylimine readily generates the biologically interesting sulfonylimine‐functionalized benzothiazine. The implementation of continuous flow electrolysis further enhances reaction efficiency and enables gram‐scale synthesis of this heterocyclic framework, providing the material basis for future biological activity studies. In addition, a straightforward electrochemical entry to the previously inaccessible benzothiazepine from N ‐arylsulfonyl benzothioamide is developed. Electrochemistry ; Electrolysis ; Continuous flow ; Bulk electrolysis ; Biological activity ; Chemical synthesis Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Synthesis and Catalytic Reactions
Authors: Katsuhiko Ariga
Source: Materials (article, 2026-01-14)
Field: Materials Science — Materials Chemistry

The 15th Anniversary of Materials—Recent Advances in Materials Chemistry For a period of 15 years from its foundation in 2008, <i>Materials</i> has provided its readership with superior content, the production of which has been undertaken by active researchers in the field of material science [...]. Foundation (evidence) ; Audience measurement ; Field (mathematics) Boron and Carbon Nanomaterials Research ; Inorganic Fluorides and Related Compounds ; Metallurgical and Alloy Processes
Authors: Yifeng Fu | Jianguang Xu
Source: Journal of Low Power Electronics and Applications (article, 2026-02-25)
Field: Materials Science — Materials Chemistry

Applications of MXenes in Neuromorphic Computing and Memristors: From Material Synthesis and Physical Mechanisms to Integrated Sensing, Memory, and Computation In the post-Moore’s Law era, conventional Von Neumann architectures face critical limitations, such as the “memory wall” and excessive power consumption, particularly when processing unstructured data. Neuromorphic computing, inspired by the human brain, offers a promising solution through parallel processing and adaptive learning. Among the candidates for artificial synapses, memristors based on two-dimensional MXenes (specifically Ti3C2Tx) have attracted significant attention due to their unique layered structure, high metallic conductivity, and tunable physicochemical properties. This review provides a comprehensive analysis of MXene-based memristors, from material synthesis to system-level applications. We examine how different synthesis strategies, including etching methods, directly influence device performance and elucidate the underlying resistive switching mechanisms driven by ion migration, valence change, and interfacial processes. Furthermore, the review demonstrates the efficacy of MXenes in emulating biological synaptic functions—such as spike-timing-dependent plasticity (STDP) and long-term potentiation/depression (LTP/LTD)—and their application in tasks like handwritten digit recognition. Finally, we highlight emerging frontiers in flexible electronics and in-sensor computing, offering insights into the future trajectory of integrated sensing, memory, and computation. Neuromorphic engineering ; MXenes ; Von Neumann architecture ; Computation ; Memristor ; Resistive random-access memory ; Electronics MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; Ferroelectric and Negative Capacitance Devices
Authors: Anastasia K. Lavrinenko | Theodosios Famprikis | Victor Landgraf | Jouke R. Heringa | Stef Smeets | Victor Azizi | Simone Ciarella | Marnix Wagemaker | Alexandros Vasileiadis
Source: Research Square (preprint, 2026-01-29)
Field: Materials Science — Materials Chemistry

GEMDAT: A Python Toolkit for Site-Resolved Diffusion Analysis in Solid-State Molecular Dynamics Python (programming language) ; Workflow ; Molecular dynamics ; Software ; Source code ; Diffusion ; Jump ; Range (aeronautics) Machine Learning in Materials Science ; Advanced Battery Materials and Technologies ; Advanced Physical and Chemical Molecular Interactions
Authors: Hao Wu | Qifubo Geng | Xunjun He | Mingze Zhang | Sergey Maksimenko
Source: Nanomaterials (article, 2026-02-28)
Field: Materials Science — Materials Chemistry

Recent Advances in Metal Phthalocyanine for Sensing Applications In recent years, metal phthalocyanine (MPc)-based sensors have garnered significant interest for applications in environmental monitoring, biomedical diagnostics, and industrial process control, owing to their efficient and cost-effective sensing capabilities. In contrast to conventional inorganic materials, MPcs are a class of small-molecule materials characterized by a stable, π-conjugated macrocyclic framework with a tunable central metal ion. This structural architecture imparts unique physicochemical properties, including high chemical stability, excellent redox activity, structural versatility, considerable dielectric constant and electrical conductivity, along with pronounced optical absorption and excellent environmental stability. By incorporating different metal ions into the macrocyclic core, their functional characteristics can be precisely modulated to achieve high sensitivity and selectivity toward various gas, ion, or biomolecule targets. Leveraging these advantages, MPcs have been extensively utilized in diverse sensing platforms, such as photoelectric, gas, and biosensors. This review outlines recent advances in MPc-based sensor research and provides perspectives on their future development trends. Phthalocyanine ; Metal ions in aqueous solution ; Dielectric ; Biomolecule ; Metal ; Absorption (acoustics) ; Chemical sensor Porphyrin and Phthalocyanine Chemistry ; Conducting polymers and applications ; Polydiacetylene-based materials and applications
Authors: Jack Kaman | Evan J. Musterman | Kyle P. Kelley | Neus Domingo-Marimon | Volkmar Dierolf | Himanshu Jain
Source: arXiv (Cornell University) (article, 2026-03-13)
Field: Materials Science — Materials Chemistry

Electromechanical Hysteresis in Phase Change Material Sb2S3 Antimony sulfide is an emerging phase change material for optical and electrical memory and computation elements. It has additionally been reported as a ferroelectric, with recent evidence from hysteresis in piezoresponse force microscopy. Here, we complete a rigorous set of piezoresponse force microscopy experiments on a congruently crystallized Sb2S3 glass-ceramic, where piezoelectric coupling should be forbidden in glassy Sb2S3. We replicate previous results and reveal that the behavior is absent in glassy Sb2S3 but show that the response originates primarily from non-piezoelectric contributions to the signal caused by an applied voltage. This hysteretic behavior in piezoresponse force microscopy is quite similar to some electrochemically active non-ferroelectric oxides, but uniquely, it appears here with a very clear spatial contrast that is decoupled from surface topography. This shows that the electromechanical signal reflects bulk-like properties and reveals differences in electrical behavior of crystalline and amorphous phases of Sb2S3. Piezoresponse force microscopy ; Hysteresis ; Piezoelectricity ; Amorphous solid ; Phase (matter) ; Ferroelasticity ; SIGNAL (programming language) Phase-change materials and chalcogenides ; Chemical and Physical Properties of Materials ; Multiferroics and related materials
Authors: Ishita Mukherjee | Lakshminarayana Satham
Source: Journal of Molecular Chemistry. (article, 2026-03-03)
Field: Materials Science — Materials Chemistry

Sustainable Polymer-supported Catalysts for Cascade Organic Synthesis: Mechanisms, challenges, and opportunities Polymer-supported catalysts (PSCs) have emerged as versatile and sustainable platforms for enabling cascade organic transformations by uniting the selectivity of homogeneous catalysis with the recoverability and operational simplicity of heterogeneous systems. Through the strategic immobilization of catalytically active species onto engineered polymer matrices—including porous organic frameworks (POFs), cross-linked resins, and PEG-based supports—PSCs offer finely tunable environments that modulate catalyst accessibility, diffusion, and turnover efficiency. Recent advances demonstrate their ability to orchestrate complex multi-step processes such as oxidation–reduction sequences, C–C and C–X bond formations, and tandem cyclizations essential to fine chemical synthesis. This review surveys the mechanistic and structural features that dictate PSC performance across acid–base, transition-metal, and enzymatic catalysis, while critically addressing persistent limitations such as mass-transfer barriers, leaching, and catalyst deactivation. By integrating insights from catalyst design, sustainability metrics, and state-of-the-art applications, we highlight how polymer-tethering strategies can enhance selectivity, recyclability, and process economy, and identify emerging directions for developing next-generation PSCs tailored for scalable, green, and mechanistically informed cascade synthesis. Catalysis ; Cascade ; Homogeneous ; Tandem ; Sustainability ; Process (computing) ; Heterogeneous catalysis Covalent Organic Framework Applications ; Catalysis for Biomass Conversion ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Garrett W Collins | Sara L McCormack | Kierra S Forthman | Matthew S Sigman | Connor G Bischak
Source: ChemRxiv (article, 2026-01-26)
Field: Materials Science — Polymers and Plastics

Data Science and High-Throughput Spectroelectrochemistry Guided Interrogation of Sulfonate Anions for OMIECs The performance of organic mixed ionic-electronic conductors (OMIECs) for applications spanning bioelectronics, energy storage, and neuromorphic computing relies on careful optimization of both polymer and electrolyte properties. While most prior studies have focused on tuning polymer chemical structure, electrolyte chemistry remains an important yet underexplored factor governing electrochemical doping of OMIECs, influencing doping kinetics, stability, and electronic mobility. To investigate the relationships between anion identity and OMIEC performance, we performed spectroelectrochemistry measurements with 94 sulfonate anions using a custom-built robotic high-throughput spectroelectrochemistry (HT-SEC) platform. Leveraging this robust experimental dataset, we built regression models that correlate OMIEC performance metrics with key molecular descriptors. We find that the extent of electrochemical doping correlates with several molecular features, including the anion's highest occupied molecular orbital (HOMO), as well as its dipole moment, size, and propensity for intermolecular hydrogen bonding. Guided by these insights, our model identifies three sulfonate anions that enable OMIEC doping at substantially lower voltages than Cl⁻, yielding significantly enhanced volumetric capacitance (C*) in organic electrochemical transistors (OECTs). Together, this work establishes electrolyte design as a powerful and general lever for controlling electrochemical doping in OMIECs, transforming ion chemistry from a passive component into an active design parameter for next-generation OMIEC-based devices. Electrochemistry ; Electrolyte ; Sulfonate ; Doping ; Conductive polymer ; Ion ; Dipole ; Supporting electrolyte Conducting polymers and applications ; Advanced Battery Materials and Technologies ; Advanced Memory and Neural Computing
Authors: Mitchell Wood | Gabrielle Koknat | A. Richard Thompson
Source: Research Square (preprint, 2026-03-12)
Field: Materials Science — Materials Chemistry

Beyond Classical Molecular Dynamics with Layered Interatomic Potentials Interatomic potential ; Molecular dynamics ; Ion ; Potential energy ; Hamiltonian (control theory) ; Inelastic scattering ; Neutron ; Tungsten Machine Learning in Materials Science ; Fusion and Plasma Physics Studies ; Advanced Physical and Chemical Molecular Interactions