jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Qiqi Li | Iyad Ramdane | Jirameth Tarnsangpradit | Pascal Rembert | R. Sainidou | Yu Cang | Krzysztof Matyjaszewski | Michael Rainer Bockstaller | Bartłomiej Graczykowski | George Fytas
Source: Nanoscale (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Process-dependent hypersonic phonon dispersion of brush particle metamaterials The self-assembly of polymer-grafted nanoparticles (PGN) has drawn interest as a platform approach for the fabrication of hybrid materials in which novel functionalities, such as photonic or phononic band gap formation, arise from the interplay of microstructure regularity and brush interactions. However, the complex dynamical processes associated with polymer and particle constituents render PGN assembly structures susceptible for the arrest of metastable states and impart sensitivity of physical properties to process conditions. For the case of poly(methyl methacrylate) (PMMA)-grafted silica particles, the use of volatile solvents (such as tetrahydrofuran) during film formation results in metastable microstructures with reduced effective medium sound velocity but increased width of the band gap as compared to equilibrated films cast from toluene solution. The linear acoustic dispersion obtained from Brillouin light spectroscopy combined with elastodynamic calculations suggest that the use of volatile solvents increases the free volume of PMMA, while maintaining the local order of particles within the film. Surprisingly, stop-band formation was more pronounced in metastable microstructures. The origin for this unusual behavior resides in the hybridization mechanism underlying the gap formation. Thus, the increased contrast of elastic constants 'overcompensates' the loss of long-range positional order and amplifies the hybridization gap that originates from the dipolar (<i>ℓ</i> = 1) resonance of the SiO<sub>2</sub> cores coupled to the polymer grafts of neighboring PGNs. Metastability ; Band gap ; Microstructure ; Particle (ecology) ; Dispersion (optics) ; Brillouin zone ; Relaxation (psychology) ; Phonon ; Dipole ; Nanoparticle Thermal properties of materials ; Near-Field Optical Microscopy ; Acoustic Wave Phenomena Research
Authors: Paula Mercado-Martínez | Sergi González-Zaragoza | Javier Pascual-Bernabeu | K. Gutiérrez-Silva | Gorka Marco-Velasco | Josep Pasqual Cerisuelo | Jose D. Badia-Valiente | A. Chafer
Source: Applied Sciences (article, 2026-01-08)
Field: Materials Science — Polymers and Plastics

Physicochemical Recycling of Cotton from Textile Waste Driven by the Ionic Liquid [DBNH][AcO] via Wet Spinning Through Factorial Design of Experiments The textile industry is positioned as one of the most significant contributors to waste generation but remains with low implementation of post-consumer recycling practices. In response to this challenge, this study focuses on the physicochemical recycling of cotton derived from textile waste aided by a protic ionic liquid, 1,5-diazabicyclo [4.3.0]non-5-ene acetate ([DBNH][OAc]), as a green alternative solvent for dissolving cotton and generating a dope, which is then transformed into a filament through the wet spinning technique. A dedicated setup was developed for the spinning process, and an experimental design based on a statistical factorial approach was applied to optimise the spinning conditions, as temperature, die diameter and velocity of extrusion. The mechanical properties of the filaments, including tenacity and elongation at break, were analysed to assess their performance. The statistical model facilitated the simultaneous optimisation of both responses—tenacity and elongation—resulting in the following optimal conditions: a temperature of 95 °C, a flow rate of 70 μL·min−1, and an extrusion diameter of 0.4 mm. The results demonstrate that both the selected solvent and wet spinning are effective in producing filaments suitable for reuse in the textile industry. Remarkably, filaments derived from textile waste exhibited superior mechanical properties compared to those obtained from virgin white cotton. Spinning ; Textile ; Textile industry ; Factorial experiment ; Dissolution ; Extrusion ; Ionic liquid ; Reuse Textile materials and evaluations ; Dyeing and Modifying Textile Fibers ; Advanced Cellulose Research Studies
Authors: Parveen Kumaria | Pawan Kumarb
Source: International Journal of Science Strategic Management and Technology (article, 2026-04-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Mechanisms and Practical Applications of Advanced Microwave Absorbing Nanomaterials: A Comprehensive Review Microwave absorbing nanomaterials (MAMs) have emerged as a critical class of functional materials designed to mitigate electromagnetic interference (EMI), enhance stealth technologies, and enable advanced biomedical and communication applications. 2008 onwards, there is a drastic change in nanomaterials which are linked with wide range of tailored dielectric and magnetic properties, optimized impedance matching, and multifunctional integration design of absorbers. This review provides a comprehensive overview of the fundamental mechanisms governing microwave absorption, including dielectric loss, magnetic resonance, interfacial polarization, and multiple scatter effects. Particular emphasis is placed on the role of nanostructuring, hybridization, and core shell architectures in enhancing absorption efficiency across broad frequency ranges. Nanomaterials such as graphene, carbon nanotubes, and carbon foams have demonstrated exceptional dielectric loss and tunable conductivity, while magnetic nanoparticles (Fe₃O₄, Co, Ni, ferrites) contribute to magnetic resonance and synergistic effects. Polymer and hybrid nanocomposites further expand the design space, offering lightweight, flexible, and scalable solutions. Fabrication techniques including sol–gel, hydrothermal synthesis, chemical vapor deposition, and melt blending have been refined to achieve reproducibility and industrial relevance. Diverse applications in consumer electronics, stealth coatings in defense, wireless communication devices, and biomedical platforms such as hyperthermia therapy and biosensing. With significant advances, the challenges remain in balancing absorption efficiency with material cost, scalability, and environmental sustainability. By systematically analyzing mechanisms, materials, fabrication strategies, and applications, this review aims to provide a roadmap for the next generation of microwave absorbing nanomaterials. Nanomaterials ; Microwave ; Fabrication ; Dielectric ; Magnetic nanoparticles ; Carbon nanotube ; Absorption (acoustics) ; Wireless Electromagnetic wave absorption materials ; Magnetic Properties and Synthesis of Ferrites ; Nanocomposite Films for Food Packaging
Authors: Dariusz Lewandowski | Grzegorz Hreczycho
Source: Scientific Reports (article, 2026-01-22)
Field: Chemistry — Organic Chemistry

Triazine-based cobalt pincer complex for regioselective C-H borylation of furans Selective C-H borylation of heteroarenes is a valuable strategy for accessing organoboron intermediates, with cobalt pincer complexes demonstrating the potential of first-row transition metals as efficient alternatives to precious-metal catalysts. Here, we report the first application of a triazine-based PNP cobalt pincer complex in the α-selective C-H borylation of furans. The catalytic system affords mono- and di-borylated furans under mild conditions and good to excellent yields, delivering twelve borylated products, including four novel compounds and seven not previously accessed via cobalt catalysis. The synthetic utility of the products was showcased through transformations such as Suzuki-Miyaura coupling and Cu<sub>2</sub>O-mediated homocoupling, as well as by utilizing in-situ generated HBpin. A plausible Co(I)/Co(III) catalytic cycle is proposed, expanding the scope of cobalt-catalyzed C-H functionalization. Borylation ; Pincer movement ; Cobalt ; Catalysis ; Regioselectivity ; Scope (computer science) ; Organometallic chemistry Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions ; Organoboron and organosilicon chemistry
Authors: Martin Koller
Source: Bioengineering (article, 2026-02-26)
Field: Materials Science — Biomaterials

Advances in Polyhydroxyalkanoate (PHA) Production, Volume 4 Over the last few decades, polyhydroxyalkanoate (PHA) biopolyesters, produced by a vast variety of natural and genetically engineered microorganisms, mainly from the kingdoms of bacteria and archaea, have gained increasing attention in the scientific community and in various industries [...]. Polyhydroxyalkanoates ; Volume (thermodynamics) ; Genetically engineered ; Variety (cybernetics) ; Bacteria ; Metabolic engineering biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Polymer-Based Agricultural Enhancements
Authors: Jie Zhang | Longgang Guo | Lin Li | Jian Qin | Zhiqiang Zhang | Zefeng Yang
Source: Inventions (article, 2026-02-12)
Field: Materials Science — Materials Chemistry

Preparation and Performance of High-Thermal-Conductivity Composite Materials for Online Monitoring Equipment of Ultra-High Voltage Bushings In response to thermal failure risks in ultra-high voltage (UHV) bushing online monitoring devices and maintenance equipment—caused by high heat generation of electronic components and the intrinsically low thermal conductivity of conventional resin encapsulation materials—this study proposes a novel modification strategy based on flash Joule heating (FJH). Distinct from conventional interface modification methods, the proposed approach enables cross-scale, in situ microsoldering between multi-walled carbon nanotubes (MWCNTs) and carbon fibers (CFs), constructing a multiscale reinforcement network with integrated thermal transport and mechanical load transfer pathways. The transient ultra-high-temperature thermal shock generated by FJH not only effectively removes inert impurities on CF surfaces but also drives carbon structural reconstruction, enabling graphitic-level welding of MWCNTs onto the fiber surface. This micro-welded architecture fundamentally differs from traditional filler dispersion or interface coating strategies, which often suffer from the trade-off between interfacial thermal transport and mechanical bonding. By contrast, the FJH-induced carbon–carbon bonded nodes form a continuous conductive and load-bearing network at the micro–nano scale. Characterizations using scanning electron microscopy (SEM), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS) confirm successful in situ welding of MWCNTs onto CF surfaces. Meanwhile, FJH treatment effectively removes oxygen-containing functional groups and surface impurities. Analysis of carbon bonding evolution indicates that the welding efficiency reaches its maximum at 90 V. Macroscopic performance tests demonstrate that, compared with epoxy resin, the thermal conductivity of the multiscale reinforced system increases by approximately 168%, while the mechanical strength improves by 62.72%. This study provides new theoretical insights and technical pathways for the development of next-generation polymer composite materials with both high thermal conductivity and high mechanical strength. Carbon nanotube ; Thermal conductivity ; Welding ; Composite number ; Thermal conduction ; Epoxy ; Raman spectroscopy ; Thermal ; Electrical conductor ; Nanocomposite Carbon Nanotubes in Composites ; Thermal properties of materials ; Fiber-reinforced polymer composites
Authors: Carlo Gonzato | Sandip M. Wadhai | Jean‐Louis Clement | Florent Malloggi | Yohann Guillaneuf | Olivier Soppera
Source: Advanced Materials Technologies (article, 2026-01-29)
Field: Chemistry — Organic Chemistry

Nitroxide‐Mediated Photo‐Polymerization: A Swiss Army Knife for Microfluidic Design ABSTRACT Microfluidic systems have attracted growing interest from both academic and industrial communities, particularly for medical and pharmaceutical applications. While 3D printing (3DP) offers an attractive route for the rapid prototyping of such devices, it often suffers from limitations such as inert surface chemistry, poor functionalisation, and challenging sealing procedures. In this work, we demonstrate the use of nitroxide‐mediated photopolymerisation (NMP2) implemented in a Digital Light Processing (DLP) platform as a versatile approach to print and assemble polymer‐based microstructures for microfluidic applications. By designing a tailored photocurable resin, NMP2 enables the fabrication of base (P1) layers embedding nitroxide moieties that subsequently initiate a truly surface‐initiated polymerisation of neat monomers (P2) arbitrarily chosen among the acrylate family. This strategy allows the straightforward and rapid formation of DLP‐patterned P2 features — including pillar arrays, Y‐shaped circuits (e.g., with 200 µm channels width), and microfluidic geometries — simply by spreading unmodified monomers on preformed P1 substrates, with no need for additional photoinitiator. Moreover, this process enables the direct sealing of P2 layers with polymeric P1 covers, providing a glue‐free and annealing‐free welding method that prevents clogging and ensures robust bonding. The demonstrated versatility and functional compatibility of NMP2 with the wide chemical variety of acrylate monomers are expected to significantly expand the scope of DLP photostructuring for the fabrication of next‐generation microfluidic systems. Microfluidics ; Fabrication ; Acrylate ; Rapid prototyping ; Digital microfluidics ; Inert Photopolymerization techniques and applications ; Advanced Polymer Synthesis and Characterization ; Nanofabrication and Lithography Techniques
Authors: Junjin Chen | Dongdong Qi | J. S. Jiang
Source: Molecules (article, 2026-04-02)
Field: Materials Science — Materials Chemistry

Computational Study of Linker Polarity Effects on Optical Electron Transfer in Imine- and Acylhydrazone-Linked Covalent Organic Frameworks Using Fragment Models Covalent organic frameworks (COFs) have become a research hotspot in photocatalytic materials in recent years due to their highly ordered structures, tunable topologies, and excellent optoelectronic properties. However, the relationship between linker polarity and the direction of optical electron transfer between adjacent structural units remains poorly understood. This study employs density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations to systematically investigate the effects of polarity reversal in imine and acylhydrazone linkers, as well as different fragment models, on the effective optical net electron transfer. To this end, four representative fragment models (K01-K04) were constructed to simulate linear, multi-connected, and branched environments. The results show that, across all models, the direction of the effective optical net electron transfer from phenyl unit (<b><i>Ph</i></b>) to <b><i>UnitB</i></b> (QPh→UnitB) is highly consistent with the polarity direction of the linker. In imine-linked systems, when the dipole moment of the linker aligns with the intrinsic dipole moment direction between <b><i>Ph</i></b> and <b><i>UnitB</i></b>, the absolute value of QPh→UnitB is significantly enhanced; in acylhydrazone-linked systems, only K02 and K03 exhibit similar behavior, while K01 and K04 show no obvious enhancement. These findings provide important guidance for designing efficient photocatalytic COFs: tuning the linker orientation to match the intrinsic polarity of adjacent structural units can significantly improve the efficiency of optical net electron transfer between them. Linker ; Polarity (international relations) ; Dipole ; Electron transfer ; Density functional theory ; Covalent bond ; Imine ; Polar Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Radical Photochemical Reactions
Authors: Mohammad Ghaddaffi Mohd Noh | Nor Yuliana Yuhana | Mohammad Hafizuddin Hj Jumali | Mohammad Syazwan Onn | Ruzilah Sanum
Source: Applied Sciences (article, 2026-02-14)
Field: Materials Science — Biomaterials

Sustainable Aragonite Production from Lime Feedstock Using Continuous Mineral Carbonation System and Seawater as a Natural Chemical Inducer Conventional production methods of aragonite production utilize chemical inducers to promote the evolution of the calcite crystalline phase to the aragonite phase of calcium carbonate. The chemical inducers used require a considerable amount of magnesium chloride (MgCl2) to induce crystallization, which is a major operational cost. Application of such materials in large amounts can be a deterrent to achieving a sustainable and economically feasible end-product derived from carbon dioxide (CO2) molecules. A number of previous research works focused mainly on optimizing the usage of MgCl2 or introducing alternative chemical inducers for aragonite production. In this work, we are proposing the usage of natural seawater as it is a naturally available and abundant resource to induce the synthesis and continuous production of aragonite compounds. Due to inconsistent quality and salinity of the natural seawater sampled, harvested, and dried, Red Sea Salt is utilized, blended at 33 g/L throughout the laboratory experiments for better statistical control, and is referred to as blended or artificial seawater. A methodology of utilizing seawater, which has a considerable concentration of MgCl2 compound, can be utilized as a sustainable, natural, and economically feasible natural inducer to synthesize aragonite has been developed by utilizing artificial seawater for laboratory proof of concept. The main effects identified for the optimization of aragonite synthesis are lime (CaO) feedstock concentration in seawater, reaction temperature, and reaction duration. The experiment results indicated that only by increasing temperature and reaction duration, or both, can the aragonite yield be increased. It is suggested that the range of operation to obtain &gt; 80% aragonite purity has been identified with the reaction temperature at 90 °C, reaction duration of 10 min, and CaO concentration in seawater at 1 g/L. The quality of the aragonite synthesized via seawater is characterized using XRD, ICP, FESEM, and TGA, and compared with aragonite particles synthesized using MgCl2 inducers. In comparison, seawater aragonite has lower residual alkalinity compared to both calcite and aragonite via MgCl2 and has a mixture of predominantly needle-shaped crystalline structure and remnants of cubic-shaped particles, presumably calcite, suitable for application in food, beverages, and pharmaceuticals (calcium antacids, nutritional supplements, chewable, lozenges). Aragonite ; Lime ; Seawater ; Carbonation ; Raw material ; Magnesium ; Calcite ; Calcium carbonate Calcium Carbonate Crystallization and Inhibition ; CO2 Sequestration and Geologic Interactions ; Chemical Looping and Thermochemical Processes
Authors: Alexandra Leluk
Source: RWTH Publications (RWTH Aachen) (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Functionalized polymers for nano- and microcomposites: towards improvement of the electrochemical reliability and humidity robustness of PCB assemblies Functionalized polymer ligands are polymer chains equipped with functional groups that interact with surfaces, molecules or a polymer matrix. Their versatility, ease of processing and tuneable molecular weight make them suitable for modern applications. By interacting with nano- or microparticles, composite materials are created which are becoming increasingly important in miniaturized technologies such as optoelectronics, sensors, microelectronics and automotive engineering. Precise material selection and a thorough understanding of the interactions between the individual components of the composites are essential. Nanocomposites exhibit their optical properties through absorption and scattering at specific resonance wavelengths, provided size and shape remain stable. Microcomposites, which are intended to improve the corrosion resistance and lifetime of electronic components, require strong adhesion to polymer matrices, fillers or interfaces in order to increase homogeneous dispersion, moisture resistance and electrochemical reliability. This thesis focuses on how functionalized polymer ligands can address these challenges at both the nano- and microscale. Investigations of gold nanoparticles show that by varying the polymer molecular weight of multidentate amino-terminated polymer ligands, the interparticle distances and thus, the nanoparticle optical properties can be precisely controlled. It is demonstrated herein for the first time that the amino functionality and a moderate binding significantly enhance the shape stability of anisotropic particles by preferentially binding to their lateral surfaces. Furthermore, a polymer-assisted synthesis of gold nanoparticles with defined spacings is presented. Main focus of this work is on the functionalization of micrometer-sized fumed silica for polymer coatings in printed circuit board assemblies. Short-chain conventional organosilanes are found to exhibit migration effects that can lead to interactions with flux residues in solder pastes, resulting in corrosion. Inspired by the success of polymer ligands previously used for nanocomposites, short-chain organosilanes are replaced with glycidyl ether-terminated polymer ligands. Their higher molecular weight shows reduced migration, resulting in improved adhesion. Tests on printed circuit board assemblies confirm their high electrochemical reliability. As a future perspective, neutron imaging is proposed as an innovative method to detect critical defects in polymer coatings, offering a promising approach to evaluate future insulating materials. Polymer ; Nanoparticle ; Surface modification ; Microelectronics ; Nanocomposite ; Polymer nanocomposite ; Fumed silica ; Composite number Polymer Nanocomposites and Properties ; Chemical and Physical Properties of Materials ; Silicone and Siloxane Chemistry
Authors: Joaquín Hernández-Fernández | Rafael González-Cuello | Ortega-Toro Rodrigo
Source: Journal of Composites Science (article, 2026-01-30)
Field: Materials Science — Materials Chemistry

Electronic Stability and Global Reactivity Descriptors of Cu–Sc Nanoclusters: A Multilevel DFT–PCA Study The electronic stability and global reactivity of CuxScγ (x + y = 4) bimetallic nanoclusters were investigated within the framework of rational design of functional materials and active catalytic phases. M06-2X/def2-TZVP DFT was used for geometric optimization and electronic characterization, and global descriptors were calculated, including ΔEgap, chemical toughness, chemical potential, and electrophilicity. The orbital contribution was analyzed using DOS/PDOS with Multiwfn; PCA and ANOVA were applied to quantify descriptor–structure relationships. The results show that adding Sc changes the cluster’s electron density and stiffness in a consistent manner, enabling distinction between more stable and more reactive configurations. In particular, Cu3Sc is the most electronically stable, exhibiting the highest ΔEgap, while Cu2Sc2 shows a more tunable electronic response, consistent with scenarios requiring greater reactivity. Multivariate analysis shows that ΔEgap accounts for most of the electronic variability in the dataset, making it the primary descriptor for selection and design. Taken together, these results open a descriptor-guided path to designing active Cu–Sc phases for supported catalysis and to their assembly into tunable metal nanocomposites. Bimetallic strip ; Nanoclusters ; Electronic structure ; Stability (learning theory) ; Reactivity (psychology) ; Density functional theory ; Catalysis Machine Learning in Materials Science ; Nanocluster Synthesis and Applications ; Advanced Chemical Physics Studies