jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Eugen Varga | János Kelemen | Enikö Kiss | Dávid István Kis | Attila Bata
Source: Periodica Polytechnica Mechanical Engineering (article, 2025-07-21)
Field: Materials Science — Materials Chemistry

Manufacturing Process of Laboratory Bipolar Plates Designed with Gas Flow Simulation In present paper a low-resource-demanding targeted manufacturing technique is demonstrated for serpentine-structured bipolar plates (BPPs) for Proton Exchange Membrane Fuel Cell (PEMFC) test systems. In the phase of the technical design, Computational Fluid Dynamics (CFD) simulations were conducted to analyze the BPPs during continuous operation. The simulations revealed that the proposed 4-serpentine flow field with channel and land width of 1 mm and channel depth of 2 mm effectively distributes reactant gases across the active area of the Membrane Electrode Assembly (MEA), minimizing stagnant flow regions under operating conditions. The CFD simulations demonstrated that the flow channel design facilitated efficient water drainage, reducing the risk of water accumulation that could impede gas diffusion and decrease cell performance. Water mole fraction at the outlet was calculated to 0.3, while power dissipation density of the active areas reached homogeneously 5.4 × 10−3 W/m3. BPPs with the appropriate structure were manufactured through a cost-efficient Wire Electrical Discharge Machining (WEDM) and Computer Numerical Control (CNC) milling technique highly appropriate for unique production of test cell components. Process (computing) ; Process engineering ; Flow (mathematics) ; Materials science ; Manufacturing process ; Mechanical engineering ; Computer science ; Engineering ; Composite material ; Mechanics ; Physics Graphite, nuclear technology, radiation studies ; Engineering Applied Research ; Cyclone Separators and Fluid Dynamics
Authors: Jaehoon Kim | Sang Ouk Chin | Dokyoung Kim | Yun‐Sang Lee
Source: Health Nanotechnology (article, 2025-11-25)
Field: Materials Science — Materials Chemistry

Porous silicon nanoparticles for cancer bioimaging and therapy: from early designs to modern theranostic platforms Porous silicon nanoparticles (pSiNPs) have attracted significant attention as versatile nanocarriers for cancer bioimaging and therapy due to their controllable porosity, high surface area, and unique biodegradability. Based on these properties, pSiNPs enable the efficient loading of various therapeutics and bioimaging probes, including drugs, peptides, nucleic acids, and imaging probes. Furthermore, the easy surface modification of pSiNPs can enhance tumor targeting specificity and enable controlled drug release. Unlike other inorganic nanomaterials that can accumulate in tissues, pSiNPs degrade into biocompatible orthosilicic acid, ensuring excellent in vivo safety. In addition to these properties, the inherent optical properties of pSiNPs allow their use as both drug tracers and optical imaging enhancers. These multifunctional properties have led to rapid advancements in cancer nanomedicine, particularly in the fields of fluorescence, magnetic resonance, and photoacoustic imaging, and have also led to significant advancements in therapeutic modalities such as chemotherapy, immunotherapy, and photo-induced therapy. This review summarizes recent advances in pSiNPs-based cancer bioimaging and therapy, highlighting the structural advantages, imaging capabilities, and therapeutic efficacy of pSiNPs. Furthermore, we examine key challenges and future prospects for clinical application, highlighting the potential of pSiNPs as a next-generation platform for precision oncology. Nanocarriers ; Photoacoustic imaging in biomedicine ; Nanomedicine ; Biocompatible material ; Cancer ; Cancer therapy ; Optical imaging ; Nanomaterials ; Surface modification Silicon Nanostructures and Photoluminescence ; Carbon and Quantum Dots Applications ; Nanoplatforms for cancer theranostics
Authors: Yuyang Yin | Changlong Zheng | Shengpeng Hu | Xiaowei Liu
Source: Journal of Physics Conference Series (article, 2025-10-01)
Field: Materials Science — Polymers and Plastics

Interfacial Investigation of Photosensitive Polyimide and Metallic Copper under In Situ Transmission Electron Microscopy The interfacial stability between polymer-based macromolecular materials and metallic components in advanced packaging architectures plays a critical role in enhancing chip reliability. Current research on photosensitive polyimide/copper (PSPI/Cu) interfacial properties suffers from insufficient empirical data due to significant material property disparities, nanoscale interfacial dimensions, and methodological limitations, particularly regarding interfacial failure mechanisms induced by ionic migration. Therefore, the research on the performance of the PSPI/Cu interface is of great significance. Utilizing in situ heating transmission electron microscopy (TEM), we dynamically monitored the nucleation and migration behavior of nanoparticles at the PSPI/Cu interface with atomic-scale resolution. Experimental observations revealed the nanoparticle evolution process: initial nucleation distant from the interface, subsequent thermal growth, and final stabilization as discrete spherical particles (average diameter approximately 10 nm). Mechanistic analysis indicates that nanoparticle formation originates from two synergistic factors: (1) chemical interaction between hydroxyl ions (OH − ) from the polyimide precursor solution and copper substrate during imidization, and (2) oxygen permeation through the PSPI matrix, which facilitates copper oxidation and subsequent nanoparticle coarsening. These phenomena ultimately lead to interfacial void formation and mechanical decohesion. The findings establish a theoretical framework for optimizing photosensitive polyimide formulations and process parameters, offering critical guidance for enhancing thermal stability in the redistribution layer (RDL) technologies for next-generation advanced packaging applications. Polyimide ; Nucleation ; Nanoparticle ; Transmission electron microscopy ; Copper ; Thermal stability ; Void (composites) ; Nanoscopic scale Synthesis and properties of polymers ; Copper Interconnects and Reliability ; Polymer crystallization and properties
Authors: Shigesaburo Ogawa | Kotaro Ekida | Akinori Ueno | Norio NOMURA | Kumiko Yamamoto | Koichi Niwa
Source: Journal of Oleo Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Preparation and Characterization of Luminescent Alkyl β-D-galactoside–curcuminoid Dye Composites &lt;i&gt;via&lt;/i&gt; Micelle-to-fiber Transition in Aqueous Systems The precise understanding and control of the phase behavior of surfactant aqueous systems have enabled the development of diverse materials in the fields of foods, cosmetics, and pharmaceuticals. In this study, we investigated aqueous systems of the bio-based surfactants alkyl β-d-galactosides (CnGals, where n represents the chain length; n = 6, 8, 10, 11, and 12). First, we confirmed that CnGals aqueous systems formed micelle solutions upon heating and hydrogel upon cooling. In particular, decyl β-d-galactoside (C10Gal) exhibited a homogeneous fiber morphology at low concentrations (0.1 wt.%), whereas larger n values afforded an inhomogeneous solid matrix and smaller n values required higher concentrations or did not form a fiber structure. In addition, the C10Gal micelles solubilized curcuminoid dyes such as demethoxycurcumin and curcumin and allowed preparing luminescent fibers upon cooling the solution. The removal of water afforded the corresponding C10Gal-dye solid composite with a high luminescence quantum yield. Powder X-ray diffraction and differential thermal analysis suggested the formation of a stable adduct or cocrystal with a unique interaction between the curcuminoid dyes and C10Gal. Therefore, we successfully prepared an environmentally friendly, highly luminescent organic solid via micelle-to-fiber transition of an environmentally friendly surfactant induced by a mild temperature change. Aqueous solution ; Micelle ; Alkyl ; Luminescence ; Fiber ; Chemistry ; Characterization (materials science) ; Composite material ; Materials science ; Organic chemistry ; Nanotechnology ; Optoelectronics Polydiacetylene-based materials and applications ; Analytical Chemistry and Chromatography ; Curcumin's Biomedical Applications
Authors: Jerome Oloto | Simbarashe Kapfudzaruwa | Jacob Muthu
Source: Journal of Research Updates in Polymer Science (review, 2025-07-04)
Field: Materials Science — Polymers and Plastics

Polymer Nanocomposite Coatings for CO2 Pipeline Corrosion Control: A Comprehensive Review Carbon dioxide (CO2) is the most significant greenhouse gas, accounting for 77% of global warming and is produced by the combustion of fossil fuels in industries. Carbon capture, storage and utilization (CCUS) is a possible pathway in achieving the emission reduction target set by the Canadian government in 2050. The transportation of the captured CO2 to storage is a critical factor in the CCUS process, which is frequently hindered by corrosion. The impurities in CO2 lead to corrosion risks, which are generally addressed using inhibitors, corrosion-resistant alloys, and polymer coatings in the oil and gas sector. However, CO2 corrosion is more complex than CO2 sweet corrosion. It is difficult to obtain a single inhibitor capable of mitigating CO2 corrosion in pipelines, and corrosion-resistant alloys are too expensive to be used throughout all sections of the pipeline. Polymers are employed as coatings. For gaseous and supercritical CO2, which leads to defects in the coatings, such as blisters and porosity. As a result, researchers have focused on using nanocomposite coatings to control CO2 corrosion. This review paper focused on the interactions of CO2 with impurities on polymer and polymer nanocomposites. In particular, the most commonly used clay and graphene polymer nanocomposites coatings and their interactions with CO2 were discussed. Further, the transport properties of CO2 through polymers and polymer nanocomposites and the interaction mechanism were analyzed. The paper concludes with the processing methods used for the polymer and polymer nanocomposite coatings. Materials science ; Corrosion ; Nanocomposite ; Polymer ; Pipeline (software) ; Composite material ; Polymer nanocomposite ; Mechanical engineering ; Engineering Polymer Nanocomposites and Properties ; Polymer Foaming and Composites ; Polymer Nanocomposite Synthesis and Irradiation
Authors: N. Barišić | D. K. Sunko
Source: ArXiv.org (article, 2025-12-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Cuprates, Pnictides and Sulfosalts: Lessons in Functional Materials Murunskite K$_2$Cu$_3$FeS$_4$ is a representative sulfosalt, isostructural to the pnictides, but with electronic properties more similar to the insulating parent compounds of the cuprates. We use it as a bridge to compare the chemical and physical roles of metal and ligand orbitals in cuprates and pnictides. In cuprates, ionicity, covalency, and metallicity are tightly interwoven to give rise to high-temperature superconductivity (SC). Their most remarkable property is the interaction of an ionically localized hole on the copper (Cu) with a Fermi liquid (FL) on the oxygens (O), which is critically important for understanding all key properties of these materials. The localization is due to strong correlations on the Cu $3d$ orbital. We describe a scenario in which the localized hole gives rise both to SC by Cooper scattering of O holes, and to Fermi arcs, as observed in cuprate spectroscopy, the latter by a purely kinematic projection of the static local disorder, without invoking any residual interactions between the mobile O FL carriers. In the pnictides, the orbitals responsible for binding and metallic conduction appear to be separate. The Fe $3d$ $e_{g}$ orbitals hybridized with the ligands set the lattice spacing. The $3d$ $t_{2g}$ orbitals overlap directly between the Fe atoms, resulting in several electronic bands appearing at the Fermi level. The ensuing Fermi liquid exhibits both charge and magnetic correlations. We argue that a similar SC scenario as in the cuprates is plausible in the pnictides, except that a light FL scatters on a slow nearly-antiferromagnetic (AF) one, rather than on localized holes as in the cuprates. Atomic orbital ; Cuprate ; Delocalized electron ; Fermi level ; Electronic structure ; Isostructural ; Superconductivity ; Fermi liquid theory Iron-based superconductors research ; Physics of Superconductivity and Magnetism ; Chemical and Physical Properties of Materials
Authors: Yujie Feng | Sheng Bao | Zaixing Wang | Yongxian Liu | Yongxing Jiao | Lingling Wang | Xiufu Hua | Renbo Wei
Source: High-temperature materials. (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

High-Temperature Dielectric Energy Storage Materials Fabricated by Crosslinking Titanium Dioxide and Polyarylene Ether Nitrile Dielectric materials have broad application prospects in the field of high-temperature electronic power systems. Up to now, high-temperature dielectric materials are mainly prepared by using high glass transition temperature (Tg) polymers. However, the incompatibility between polymers and fillers, which are incorporated for high energy density, leads to soaring dielectric losses at high temperatures, resulting in a nosedive of discharged energy density (Ud) and efficiency (η). In this paper, we report the fabrication of high-temperature dielectric materials via the self-crosslinking of phthalonitriles from phthalonitriles modified titanium dioxide (TiO2-2CN) and phthalonitriles terminated polyarylene ether nitrile (PEN-2CN). TiO2-2CN is firstly synthesized and characterized, then incorporated into PEN-2CN to prepare TiO2/PEN nanocomposites, which transform into TiO2-PEN hybrids afterwards. The fabricated TiO2-PEN hybrids are confirmed by the change of SEM sectional morphology, as well as the increase of their Tg and thermal decomposition temperature (Td). With the addition of TiO2-2CN, both the Tg, Td, and Ud of TiO2/PEN nanocomposites are improved. In addition, due to the formation of covalent bonds within TiO2-PEN, the hybrids exhibit excellent high-temperature dielectric energy storage performance. Specifically, at 150 °C, the Ud of 10 wt% TiO2-PEN is 0.60 J/cm−3, which is over 95% of that at RT. Moreover, η is greater than 90% and remains unchanged after 10,000 charge and discharge cycles. This method used for preparing TiO2-PEN hybrids through a self-crosslinking reaction of phthalonitriles provides a new approach for preparing high-temperature dielectric materials. Nitrile ; Titanium dioxide ; Materials science ; Ether ; Dielectric ; Energy storage ; Composite material ; Chemical engineering ; Polymer chemistry ; Organic chemistry ; Chemistry ; Optoelectronics ; Thermodynamics Synthesis and properties of polymers ; Advanced Battery Materials and Technologies ; Dielectric materials and actuators
Authors: Bahmei, Fatemeh | Bahramifar, Nader | Ghasemi, Shahram | Younesi, Habibollah | Weil, Marcel
Source: Repository KITopen (Karlsruhe Institute of Technology) (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Comparison of environmental impacts in the production of graphene from biomass waste and the Hummers' method Biomass (ecology) ; Production (economics) ; Raw material ; Environmental impact assessment ; Bioenergy ; Renewable energy Graphene research and applications ; Fiber-reinforced polymer composites ; Thermochemical Biomass Conversion Processes
Authors: Michael Y. Toriyama | Jiawei Zhan | Shun Kanai | Giulia Galli
Source: npj 2D Materials and Applications (article, 2025-11-26)
Field: Materials Science — Materials Chemistry

Strategies to search for two-dimensional materials with long spin qubit coherence time Two-dimensional (2D) materials that can host qubits with long spin coherence time (T2) have the distinct advantage of integrating easily with existing microelectronic and photonic platforms, making them attractive for designing novel quantum devices with enhanced performance. However, the relative lack of 2D materials as spin qubit hosts, as well as appropriate substrates that can help maintain long T2, necessitates a strategy to search for candidates with robust spin coherence. Here, we develop a high-throughput computational workflow to predict the nuclear spin bath-driven qubit decoherence and T2 in 2D materials and heterostructures. We initially screen 1172 2D materials and find 189 monolayers with T2 > 1 ms, higher than that of naturally-abundant diamond. We then construct 1554 lattice-commensurate heterostructures between high-T2 2D materials and select 3D substrates, and we find that T2 is generally lower in a heterostructure than in the bare 2D host material; however, low-noise substrates (such as CeO2 and CaO) can help maintain high T2. To further accelerate the material screening effort, we derive analytical models that enable rapid predictions of T2 for 2D materials and heterostructures. The models offer a simple, yet quantitative, way to determine the relative contributions to decoherence from the nuclear spin baths of the 2D host and substrate in a heterostructural system. By developing a high-throughput workflow and analytical models, we expand the genome of 2D materials and their spin coherence times for the development of spin qubit platforms. Quantum decoherence ; Qubit ; Coherence (philosophical gambling strategy) ; Workflow ; Spin (aerodynamics) ; Heterojunction ; Spin engineering Diamond and Carbon-based Materials Research ; 2D Materials and Applications ; Advanced NMR Techniques and Applications
Authors: Wenqiang Ma | Pei‐Cheng Jiang | Yan Wang | Yushu Zhang | Xiaoxuan Liu | Guiyou Zhu | Jianwei Guo
Source: Journal of Polymer Science (article, 2025-05-30)
Field: Materials Science — Biomaterials

Dynamic Salt Bond Networks in Self‐Healing Silicone‐Nanoparticle Composites for Enhanced Mechanical and Antibacterial Performance ABSTRACT Preserving food quality and safety necessitates advanced packaging solutions. In this study, through the Coulomb interaction between the carboxyl group on the side chain of polydimethylsiloxane (PDMS) and zinc oxide nanoparticles (ZnO NPs), a novel and sustainable food packaging composite material was prepared using the ion crosslinking strategy. In order to obtain an ideal combination of high mechanical strength, elasticity, and antibacterial properties, the particle size of ZnO NPs was accurately controlled at about 4 nm, and the molar ratio of ‐COOH/ZnO was 2/1. The antimicrobial rate of the prepared ZnO‐PDMS‐COOH composite to Escherichia coli and Staphylococcus aureus exceeds 99.99%, and the irrecoverable strain is only 11.85% after 5000 compression cycles. Compared with traditional packaging, the ZnO‐PDMS‐COOH composite material has excellent mechanical properties and antibacterial activity, which can protect the test fruit from almost all mechanical force damage, including shock, vibration, compression, and puncture, and prolong its storage life. This recyclable and remolded composite packaging material helps reduce spoilage during food transportation and storage and reduce environmental pollution caused by the waste of packaging materials. Materials science ; Composite number ; Food packaging ; Composite material ; Polydimethylsiloxane ; Nanoparticle ; Silicone ; Environmental pollution ; Nanotechnology ; Chemistry Nanocomposite Films for Food Packaging ; Electrospun Nanofibers in Biomedical Applications ; Antimicrobial agents and applications
Authors: Dr. Rakesh Kumar Kurre
Source: International Journal of Advanced Research in Science Communication and Technology (article, 2025-01-30)
Field: Materials Science — Materials Chemistry

Design and Performance Enhancement of SrSnO₃ and BaSnO₃ Gas Sensors Using Novel Doping and Synthesis Strategies This paper explores the advanced applications of SrSnO₃ and BaSnO₃ materials in gas sensor technologies, emphasizing their critical role in addressing modern industrial and environmental challenges. The high sensitivity, selectivity, and stability of these perovskite oxides have earned them a reputation for their capacity to detect dangerous gases such as nitrogen oxides, carbon monoxide, and hydrogen. The purpose of this work is to investigate the many ways in which the structural, electrical, and gas-sensing characteristics of these materials are affected by the doping of rare earth elements and metal oxides. Doping tactics are highlighted as a means to induce oxygen vacancies and boost charge carrier mobility, which ultimately leads to enhanced sensor performance. In addition, the study investigates a number of different synthesis methods, including as sol-gel, co-precipitation, and solid-state processes, and evaluates the influence that these methods have on morphology, phase purity, and scalability. The association between the structure of the material and the gas-sensing efficiency is examined using advanced characterization methods such as X-ray diffraction (XRD), scanning electron microscopy (SEM), and transmission electron microscopy (TEM). The flexibility of SrSnO3 and BaSnO3 sensors is demonstrated by an in-depth analysis of their applications in important fields such as industrial safety, vehicle emission control, and environmental monitoring. Emerging developments, such as nano-structuring and hybrid material designs, are also investigated, with the goal of showcasing the potential of these innovative approaches to revolutionize sensor technology. At the end of the publication, a demand is made for more research to be conducted on cost-effective synthesis techniques, long-term stability studies, and integration with smart systems in order to improve the performance and usability of these materials. The purpose of this in-depth analysis is to offer a valuable basis for the advancement of gas sensor technologies based on SrSnO3 and BaSnO3, which will address both the present and future sensing demands. Performance enhancement ; Doping ; Perovskite (structure) ; Flexibility (engineering) ; Characterization (materials science) ; Carbon dioxide sensor ; Charge carrier Electronic and Structural Properties of Oxides ; Gas Sensing Nanomaterials and Sensors ; Chemical and Physical Properties of Materials
Authors: Hong Zhang | Meijiao Gao | Xin Zhang | Zhi Wang
Source: Catalysts (article, 2025-10-02)
Field: Chemistry — Organic Chemistry

Engineered Leghemoglobin as a High-Performance Biocatalyst for Carbene N–H Insertion: Active-Site Remodeling Unlocks Catalytic Proficiency Leghemoglobin (LegH), a plant-derived hemoprotein, is engineered for the first time as a standalone biocatalyst for carbene N–H insertion. Through semi-rational design, the K65P mutation in the heme pocket significantly enhances catalytic efficiency. Under mild aqueous conditions (PBS buffer, 25 °C), the K65P variant achieves 92% yield in the model reaction between benzylamine and ethyl α-diazoacetate—surpassing wild-type LegH by &gt;1.6-fold in initial reaction rate. The mutant also exhibits markedly improved thermostability. This work establishes engineered LegH as a high-performance, cofactor-free biocatalyst for C–N bond formation, providing a sustainable platform for synthesizing chiral amine derivatives. The catalytic proficiency and inherent stability of the K65P mutant demonstrate the potential of plant hemoproteins in non-natural carbene transfer reactions without requiring immobilization supports. Biocatalysis ; Carbene ; Yield (engineering) ; Catalysis ; Amine gas treating ; Benzylamine ; Heme Cyclopropane Reaction Mechanisms ; Chemical Reactions and Isotopes ; Nanomaterials for catalytic reactions