jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: José Ruiz‐Franco | Andrea Giuntoli
Source: Nature Communications (article, 2025-05-01)
Field: Materials Science — Polymers and Plastics

Inducing mechanical self-healing in polymer glasses Polymer glasses such as the plastics used in pipes, structural materials, and medical devices are ubiquitous in daily life. The nature of their low molecular mobility is still poorly understood and it leads to brittle mechanical behavior, damage, and fracture over time. It also prevents the design of self-healing mechanisms that expand the material's lifespan, as more commonly done in recent years for higher mobility amorphous polymers such as gels and rubbers. We demonstrate through numerical simulations that controlled oscillatory deformations enhance the local molecular mobility of glassy polymers without compromising their structural or mechanical stability. We apply this principle to increase the molecular mobility around the surface of a cylindrical crack, counterintuitively inducing fracture repair and recovering the mechanical properties of the pristine material. Our findings are a first step to establish a general physical mechanism of self-healing in glasses that may inspire the design and processing of new glassy materials. Self-healing ; Self-healing material ; Polymer ; Materials science ; Wound healing ; Nanotechnology ; Composite material ; Medicine ; Surgery Polymer composites and self-healing ; Advanced Sensor and Energy Harvesting Materials ; Building materials and conservation
Authors: Milan Králik | Peter Koóš | Martin Markovič | Pavol Lopatka
Source: Molecules (review, 2025-08-05)
Field: Materials Science — Materials Chemistry

Research and Developments of Heterogeneous Catalytic Technologies This review outlines a comprehensive methodology for the research and development of heterogeneous catalytic technologies (R&D_HeCaTe). Emphasis is placed on the fundamental interactions between reactants, solvents, and heterogeneous catalysts-specifically the roles of catalytic centers and support materials (e.g., functional groups) in modulating activation energies and stabilizing catalytic functionality. Particular attention is given to catalyst deactivation mechanisms and potential regeneration strategies. The application of molecular modeling and chemical engineering analyses, including reaction kinetics, thermal effects, and mass and heat transport phenomena, is identified as essential for R&D_HeCaTe. Reactor configuration is discussed in relation to key physicochemical parameters such as molecular diffusivity, reaction exothermicity, operating temperature and pressure, and the phase and "aggressiveness" of the reaction system. Suitable reactor types-such as suspension reactors, fixed-bed reactors, and flow microreactors-are evaluated accordingly. Economic and environmental considerations are also addressed, with a focus on the complexity of reactions, selectivity versus conversion trade-offs, catalyst disposal, and separation challenges. To illustrate the breadth and applicability of the proposed framework, representative industrial processes are discussed, including ammonia synthesis, fluid catalytic cracking, methanol production, alkyl tert-butyl ethers, and aniline. Catalysis ; Microreactor ; Chemical reaction engineering ; Chemistry ; Heterogeneous catalysis ; Chemical engineering ; Methanol ; Thermal diffusivity ; Alkyl ; Biochemical engineering ; Process engineering ; Nanotechnology ; Materials science ; Organic chemistry ; Thermodynamics Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Manoj Kumar Mandapaka | B. Veeraswami
Source: Separation Science Plus (article, 2025-05-01)
Field: Chemistry — Analytical Chemistry

A Simple and Rapid Analytical Method to Detect and Quantify the N‐Nitroso Desmethyl Diltiazem Impurity by Liquid Chromatography‐Tandem Mass Spectrometry in Diltiazem Hydrochloride ABSTRACT N‐nitroso desmethyl diltiazem is a known genotoxic impurity in the cardiovascular drug product diltiazem hydrochloride, raising significant concerns due to its potential carcinogenicity. Detection of such impurities at trace levels is crucial to ensure drug safety and regulatory compliance. Thus, an effective and robust analytical method has been developed and validated with improved specificity, sensitivity, and separation efficiency using multiple reaction monitoring acquisition mode to detect and quantify the traces of N‐nitroso desmethyl diltiazem in diltiazem hydrochloride. Achieved an excellent separation and quantification of N‐nitroso desmethyl diltiazem and diltiazem hydrochloride in a short run time of 24 min by using a C18 Atlantis T3 column with a gradient composition of 0.1% formic acid in water as mobile phase A and 100% acetonitrile as mobile phase B, 0.5 mL min −1 flow rate, and a 10 µL injection volume. Mass spectrometric conditions comprised 1.00 kV interface and focus voltage through positive polarity in multiple reaction monitoring mode, with precursor ion at 429.90 m / z and product ion at 283.25 m / z . This method demonstrated excellent specificity, achieving baseline separation of N‐nitroso desmethyl diltiazem from matrix components, and exhibited linearity within a concentration range of 0.0025–0.1 µg mL −1 . Validation parameters, including accuracy, precision, and robustness, are obtained within acceptable limits as per International Council for Harmonization guidelines, ensuring the method's reliability. This study addressed the limitations of previous techniques and underscored the method's potential for routine analysis to meet regulatory compliance requirements. Diltiazem ; Diltiazem hydrochloride ; Chromatography ; Chemistry ; Liquid chromatography–mass spectrometry ; Desmethyl ; Analyte ; Mass spectrometry ; Impurity ; Tandem mass spectrometry ; Analytical Chemistry (journal) ; Metabolite ; Organic chemistry Analytical chemistry methods development ; Coordination Chemistry and Organometallics ; Radioactive element chemistry and processing
Authors: Yin Tang | Soohyun Ban | Zhihan Xu | Jing Sun | Zhijun Ning
Source: Nanomaterials (review, 2025-01-12)
Field: Materials Science — Surfaces, Coatings and Films

Advancements in Superhydrophobic Paper-Based Materials: A Comprehensive Review of Modification Methods and Applications Superhydrophobic paper-based functional materials have emerged as a sustainable solution with a wide range of applications due to their unique water-repelling properties. Inspired by natural examples like the lotus leaf, these materials combine low surface energy with micro/nanostructures to create air pockets that maintain a high contact angle. This review provides an in-depth analysis of recent advancements in the development of superhydrophobic paper-based materials, focusing on methodologies for modification, underlying mechanisms, and performance in various applications. The paper-based materials, leveraging their porous structure and flexibility, are modified to achieve superhydrophobicity, which broadens their application in oil-water separation, anti-corrosion, and self-cleaning. The review describes the use of these superhydrophobic paper-based materials in diagnostics, environmental management, energy generation, food testing, and smart packaging. It also discusses various superhydrophobic modification techniques, including surface chemical modification, coating technology, physical composite technology, laser etching, and other innovative methods. The applications and development prospects of these materials are explored, emphasizing their potential in self-cleaning materials, oil-water separation, droplet manipulation, and paper-based sensors for wearable electronics and environmental monitoring. Nanotechnology ; Materials science ; Computer science ; Engineering Surface Modification and Superhydrophobicity ; Advanced Cellulose Research Studies ; Advanced Sensor and Energy Harvesting Materials
Authors: Sreedevi Paramparambath | Kamil Oflaz | Mithra Geetha | Marwa El‐Azazy | Ahmed S. El‐Shafie | Kishor Kumar Sadasivuni
Source: Chemistry Africa (article, 2025-01-24)
Field: Chemistry — Electrochemistry

A Dual Approach to Detecting Iron Ions and Analyzing Water Quality Abstract This research establishes the foundation for developing an IoT (internet of things)-enabled sensor developed for the rapid and precise detection of Fe ions (Fe + 3 and Fe + 2 ) in drinking water. The investigation incorporates the utilization of Phenol red (PR), Universal indicator (UI), and Eriochrome black T (EBT) dyes, revealing their effectiveness in Fe ion detection. UV-visible tests and calibration graphs determined remarkably low average detection limits and exhibited stability at varying temperatures. Their exceptional sensitivity and selectivity across all Fe ionic states are crucial for continuous monitoring and on-site testing, making them well-suited for practical applications. Moreover, the limit of detection (LOD) of Fe ions in dyes are found to be 0.0189 mM for PR dye, 0.2 mM for UI, and 0.192 mM for EBT dye solution. Validation of the procedure was achieved right through fabrication of a 3D-printed tool. The integration of RGB (Red Green Blue) analysis with the 3D-printed prototype enabled the assessment and detection of iron ions (Fe + 3 and Fe + 2 ), visually represented in a unique RGB chart. This technical progress involves notable implications for Fe detection, demonstrating its ability for using in evaluating environmental and health conditions. Additionally, this novel approach can replace well established sophisticated instruments due to their rapidity and selectivity. Dual (grammatical number) ; Ion ; Quality (philosophy) ; Water quality ; Dual purpose ; Environmental science ; Computer science ; Materials science ; Chemistry ; Physics ; Engineering ; Philosophy ; Biology Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Water Quality Monitoring and Analysis
Authors: Guo Zou | Qihuan Li | Zhenhao Jiang | Wentong Gao | Yixiang Cheng
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Fast emission color switching of circularly polarized luminescence in platinum(<scp>ii</scp>) liquid crystalline co-assembly Developing stimuli-responsive circularly polarized luminescence (CPL) materials that feature fast emission color switching for advanced information encryption presents a scientifically significant yet formidable challenge. Herein, we construct a supramolecular co-assembly system demonstrating transiently responsive CPL emission color switching, enabling mechanically-modulated information encryption. Combining a highly luminescent Pt(II) liquid crystal (Pt8) with the anchored binaphthyl inducers (<i>R</i>/<i>S</i>-M) forms chiral co-assemblies (<i>R</i>/<i>S</i>-M)<sub>0.03</sub>-(Pt8)<sub>0.97</sub>, which assemble into twisted nanobelts (180 °C) and helical nanofibers (260 °C) exhibiting green (<i>λ</i> <sub>em</sub> = 545 nm, <i>g</i> <sub>em</sub> = 0.038) and red CPL (<i>λ</i> <sub>em</sub> = 640 nm, <i>g</i> <sub>em</sub> = 0.133), respectively. Notably, mechanical grinding transforms the 180 °C-annealed (<i>R</i>/<i>S</i>-M)<sub>0.03</sub>-(Pt8)<sub>0.97</sub> into nanoparticles, resulting in a fast dynamic switching of CPL emission color from green to orange-red (<i>λ</i> <sub>em</sub>: 545 → 625 nm, <i>g</i> <sub>em</sub>: 0.038 → 0.058). Reheating the grinding films (<i>R</i>/<i>S</i>-M)<sub>0.03</sub>-(Pt8)<sub>0.97</sub> to 180 °C restores the initial green CPL of the nanobelts. Based on the fast CPL emission color switching, we demonstrate the applications of these supramolecular chiral co-assemblies for mechanically-modulated information encryption. Luminescence ; Platinum ; Materials science ; Liquid crystalline ; Optoelectronics ; Circular polarization ; Photochemistry ; Optics ; Liquid crystal ; Chemistry ; Physics ; Organic chemistry ; Catalysis Liquid Crystal Research Advancements ; Nanocluster Synthesis and Applications ; Porphyrin and Phthalocyanine Chemistry
Authors: Gwanho Kim | Kaiying Zhao | Shengyou Li | Guangtao Zan | EunAe Shin | Minji Kwon | Cheolmin Park
Source: Communications Materials (article, 2025-07-23)
Field: Materials Science — Materials Chemistry

MXenes for blue energy harvesting Blue energy harvesters, which generate renewable energy through interactions with water and moisture, provide innovative solutions for addressing global energy and sustainability demands. Although materials such as graphene-based materials, cellulose, and metal-organic frameworks have been investigated for these devices, their practical application has been hindered by challenges including chemical instability, scalability issues, and fabrication complexity. MXenes, a class of two-dimensional transition metal carbides and nitrides, have emerged as promising candidates for blue energy harvesting. Their exceptional hydrophilicity, tunable surface chemistry, and high electrical conductivity facilitate efficient ion transport and charge transfer processes. These properties render MXenes particularly suitable for integration into various blue energy harvesting systems, including hydrovoltaics, solar steam generators, and osmotic power systems. This review systematically analyzes the mechanisms, material designs, and performance metrics of MXene-based energy devices, emphasizing their significant advantages over conventional materials. Furthermore, it provides insights into the current state of MXene-based blue energy technologies and explores future research directions to enhance their potential as transformative solutions for sustainable energy systems. Blue energy harvesting has grown in prominence in recent years, involving energy generation based on water and moisture. This Review discusses the use of MXenes in blue energy, considering the basic properties of MXenes and their devices MXenes ; Energy harvesting ; Environmental science ; Energy (signal processing) ; Computer science ; Engineering ; Mathematics ; Statistics ; Chemical engineering MXene and MAX Phase Materials ; Energy Harvesting in Wireless Networks ; Advanced Sensor and Energy Harvesting Materials
Authors: Victoria E. Opryshko | S. A. Krasnova | Andrey А. Mikhaylov | Yulia A. Bogdanova | Alexander Yu. Smirnov | Михаил С. Баранов | Dmitrii S. Ivanov
Source: Molecules (article, 2025-07-23)
Field: Chemistry — Organic Chemistry

Photochemically-Enabled Umpolung Conversion of 2-Acyloxybenzaldehydes into 2-Hydroxybenzofuranones 2-Acyloxybenzaldehydes are converted into 2-hydroxybenzofuranones in good to excellent yields (60-99%). The reaction proceeds at room temperature in DMSO upon 365 nm LED irradiation under photocatalyst-free conditions. The present atom-economical synthetic approach represents the aldehyde group umpolung reactivity. Umpolung ; Aldehyde ; Reactivity (psychology) ; Photocatalysis ; Chemistry ; Combinatorial chemistry ; Photochemistry ; Organic chemistry ; Catalysis ; Medicine Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Catalytic C–H Functionalization Methods
Authors: Roman Mysyk | Daniel Carriazo | Damien Saurel | María Arnaiz | Olivier Crosnier | Thierry Brousse | Kangkang Ge | Pierre‐Louis Taberna | Patrice Simon | Sander Ratso | Einar Karu | Alberto Varzi | Juan Pablo Badillo | Andrea Hainthaler | Akshaya S. Sidharthan | Andrea Balducci | Obinna Egwu Eleri | Amaia Sáenz de Buruaga | J. Olarte | Juan Dayron Lopez Cardona | Fatemeh Bahmei | Sebastián Pinto Bautista | Marcel Weil | Jon Ajuria
Source: Batteries & Supercaps (article, 2025-01-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The Value Chain of Sustainable Dual Carbon Sodium Ion Capacitors Abstract Now that fast action is needed to mitigate the effects of climate change, developing new technologies to reduce the worldwide carbon footprint is critical. Sodium ion capacitors can be a key enabler for widespread transport electrification or massive adoption of renewable technologies. However, a years‐long journey needs to be made from the first proof‐of‐concept report to a degree of maturity for technology transfer to the market. To shorten this path, this work gathers all the stakeholders involved in the technical development of the sodium ion capacitor technology, covering the whole value chain from academics (TRL 1–3) and research centers (TRL3–5) to companies and end‐users (TRL 6–9). A 360‐degree perspective is given on how to focus the research and technology development of sodium ion capacitors, or related electrochemical energy storage technologies, from understanding underlying operation mechanisms to setting up end‐user specifications and industrial requirements for materials and processes. This is done not only in terms of performance metrics, but mainly considering relevant practical parameters, i. e., processability, scalability, and cost, leading up to the final sustainability evaluation of the whole of the technology by Life Cycle Assessment (LCA) and Life Cycle Cost (LCC) analysis, which is of utmost importance for society and policymakers. Dual (grammatical number) ; Sodium ; Value (mathematics) ; Capacitor ; Carbon fibers ; Chain (unit) ; Carbon chain ; Ion ; Environmental science ; Business ; Materials science ; Chemistry ; Electrical engineering ; Mathematics ; Physics ; Composite material ; Metallurgy ; Engineering ; Composite number ; Statistics ; Voltage ; Organic chemistry Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Advanced Battery Materials and Technologies
Authors: Ramiro Quirós‐Ovies | Natalia Martín Sabanés | C. García-Pérez | Ramón Bernardo Gavito | Daniel Granados | Emilio M. Pérez | Jesús Santamaría | Víctor Sebastián
Source: Chemical Engineering Journal (article, 2025-02-19)
Field: Materials Science — Materials Chemistry

Continuous exfoliation of 2H-MoS2 in a microwave-heated microfluidic contactor • Continuous MW-assisted microfluidics enables scalable MoS 2 exfoliation in flow. • Optimized parameters yield large, ultrathin flakes with lateral sizes in the µm range. • Exfoliation yield at high concentrations (30 mg/mL) reaches up to 25 %. • Continuous flow enhances production rate to 385 mg/h, 20 times higher than batch mode. • The method offers a reproducible approach for high-quality 2D material production. Microwave (MW)-assisted exfoliation of molybdenum disulfide (MoS 2 ) has been demonstrated to produce exceptionally large area (in the µm 2 range), ultrathin (< 4 layers) flakes operating in the batch mode. Here, we develop a continuous system capable of producing few-layer MoS 2 flakes of similar quality to those obtained through the batch procedure but with enhanced efficiency and scalability. The proposed microfluidic-based method introduces a controlled, stable, and reproducible process for exfoliating MoS 2 in a liquid medium. By optimizing parameters such as flow rate, channel geometry, power of the MW heating and solvent selection, we were able to consistently achieve flake sizes in the µm range and thicknesses below 6 nm, comparable to those obtained via batch MW exfoliation. The continuous nature of the system allows for scalable production, addressing one of the major limitations of batch processes. While developed for MoS 2 flakes, it can be translated to any two-dimensional (2D) material with suitable microwave-absorbing properties, potentially paving the way for the continuous production of a wide variety of large-area ultrathin flakes. Contactor ; Microwave ; Microfluidics ; Exfoliation joint ; Materials science ; Microwave heating ; Chemical engineering ; Chemistry ; Chromatography ; Nanotechnology ; Engineering ; Thermodynamics ; Telecommunications ; Graphene ; Physics 2D Materials and Applications ; MXene and MAX Phase Materials ; Molecular Junctions and Nanostructures
Authors: Nandhinee Radha Shanmugam | Joshua Rainbow | Jeong‐Chan Lee | Pawan Jolly | Donald E. Ingber
Source: Small Science (review, 2025-10-21)
Field: Chemistry — Electrochemistry

Label‐Free Electrochemical Impedance Spectroscopy for Biosensing: Evolving Interfaces and Mechanistic Insights The evolution of label-free electrochemical biosensors has revolutionized the field of analytical detection by enabling rapid, direct, and sensitive detection of a wide range of analytes. Electrochemical impedance spectroscopy (EIS) provides mechanistic insight into the interfacial changes occurring at the electrode/electrolyte interface, thereby enabling real-time monitoring. Direct detection of molecular binding events at the electrode interface is made possible by sensing measurable shifts in interfacial impedance characteristics. Despite their versatility, the commercial translation of EIS-enabled biosensors has been hindered by challenges in achieving robust sensitivity, specificity, and reproducibility. Recent progress in the field, including integration of nanoengineered electrode materials and novel biorecognition elements, has addressed some of these limitations, resulting in marked improvements in EIS-based biosensor performance. This review discusses the mechanistic principles underlying label-free EIS biosensing and highlights recent developments in electrode surface modification and sensor architecture. It also explores the integration of novel biorecognition elements and describes how their impact on sensor performance may be assessed. Current limitations and future directions for the application of EIS-enabled sensors in clinical diagnostics, environmental analysis, and food safety monitoring are also considered. Biosensor ; Dielectric spectroscopy ; Electrode ; Electrical impedance ; Interface (matter) Electrochemical Analysis and Applications ; Analytical Chemistry and Sensors ; Advanced biosensing and bioanalysis techniques
Authors: Melahat Sevgül Bakay Ağbulut | Erdem Elibol | Musa Çadırcı | Tuna Demirci
Source: Journal of Fluorescence (article, 2025-01-20)
Field: Materials Science — Materials Chemistry

Fluorescent CdTe/ZnS Core/Shell Quantum Dots for Sensitive Metabolite Detection in Real Samples This study highlights the aqueous synthesis of CdTe/ZnS core/shell quantum dots (QDs) and their application as fluorescence sensors for detecting critical metabolites, including folic acid, glucose, and vitamin C, in real biological samples. The synthesized QDs exhibit excellent quantum efficiency, stability, and biocompatibility, enhanced by mercaptopropionic acid (MPA) ligands, enabling eco-friendly and accurate sensing. Detection limits of 0.84 µg/mL for folic acid, 0.33 mM for glucose, and 1.15 µg/mL for vitamin C were achieved with high linearity (R<sup>2</sup> > 0.97). These results underscore the potential of CdTe/ZnS QDs in advanced biosensing technologies, offering sensitive and selective metabolite detection through a robust FRET-based mechanism. The versatility and aqueous solubility of these QDs pave the way for their integration into multiplex diagnostic systems for enhanced biomedical applications. Chemistry ; Quantum dot ; Cadmium telluride photovoltaics ; Fluorescence ; Biocompatibility ; Detection limit ; Aqueous solution ; Nanotechnology ; Biosensor ; Metabolite ; Combinatorial chemistry ; Chromatography ; Organic chemistry ; Biochemistry ; Materials science Quantum Dots Synthesis And Properties ; Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis