jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sree Adinarayana Dasari | David L. West | Walter Disharoon | Yuheng He | T.G. Williamson | Carolina Hau Loo | Nima Ghalichechian
Source: IEEE Transactions on Instrumentation and Measurement (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Anisotropic Complex Permittivity Measurement of Vanadium Dioxide Thin Films Across Phase Transition Temperature In this paper, we present methodologies and devices to characterize the uniaxial complex permittivity of vanadium dioxide (VO<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub>) thin films on c-plane sapphire. We report the anisotropic complex permittivity values of VO<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> as a function of temperature. To address the challenge of characterizing an anisotropic film with a thickness of tens to hundreds of nanometers, we propose two planar transmission-line-based devices. A coplanar waveguide line and a microstrip ring resonator are designed to be sensitive to the material under test complex permittivity in-plane (ε<italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><sub>r</sub></i>,<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">||</sub>) and out of plane (ε<italic xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"><sub>r</sub></i>,⊥), respectively. These devices were fabricated in-house with a VO<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> film contrast ratio of 10<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">5</sup>. An automated test setup was designed to measure the scattering parameters of the devices near the phase transition with a fine resolution (ΔT = 0.1 °C), enabling the extraction of temperature-dependent complex permittivity over a wide bandwidth covering 1 GHz to 67 GHz. Analytical quasi-static models are used to estimate the permittivity, and the results are further refined by minimizing the standardized error between simulation and measurement using a Bayesian optimizer. VO<sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sub> exhibits stable permittivity and loss tangent near room temperature with a non-linear increase approaching the phase transition point. The extracted permittivity and loss tangent are modeled using sigmoid and exponential functions, respectively, to capture their nonlinear behavior at the phase transition and enable implementation in simulation tools. Vanadium dioxide ; Materials science ; Permittivity ; Anisotropy ; Phase transition ; Thin film ; Temperature measurement ; Condensed matter physics ; Vanadium ; Relative permittivity ; Transition temperature ; Optoelectronics ; Dielectric ; Optics ; Thermodynamics ; Nanotechnology ; Metallurgy ; Physics Transition Metal Oxide Nanomaterials ; Surface Roughness and Optical Measurements ; Gas Sensing Nanomaterials and Sensors
Authors: Asep Sugih Nugraha | Nasim Amiralian | Md. Shahriar A. Hossain | Yusuke Yamauchi
Source: npj Materials Sustainability (article, 2025-10-31)
Field: Materials Science — Materials Chemistry

Nanoporous gold architectures: design, function, and emerging applications Gold (Au), once valued mainly for its stability and shine, now shows remarkable catalytic and plasmonic properties at the nanoscale. Nanoporous gold (np-Au) stands out with high surface area, tunable pores, and good conductivity, enabling advanced catalysis and sensing. This review summarises recent progress in np-Au synthesis, structure–property relationships, and emerging applications, while addressing challenges in controlling porosity, crystallinity, and multifunctional integration. Nanoporous ; Plasmon ; Catalysis ; Surface plasmon resonance ; Colloidal gold Nanoporous metals and alloys ; Electrocatalysts for Energy Conversion ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Vy M. Dong | Minghao Wang | Xintong Hou | Stephanie A. Corio | Lori Digal | Jennifer S. Hirschi
Source: Research Square (preprint, 2025-04-01)
Field: Chemistry — Organic Chemistry

Copper Catalysis with Arynes: Unlocking Site-Selective Arylation of Pyrazoles Aryne ; Catalysis ; Copper ; Chemistry ; Combinatorial chemistry ; Business ; Medicinal chemistry ; Organic chemistry Cyclization and Aryne Chemistry ; Catalytic Alkyne Reactions ; Catalytic Cross-Coupling Reactions
Authors: Boyu Zhao | Paul Wilson
Source: Macromolecular Chemistry and Physics (article, 2025-09-08)
Field: Chemistry — Organic Chemistry

Aqueous Electrochemically Triggered Atom Transfer Radical Polymerization Using Alternative Cathode Materials ABSTRACT Aqueous electrochemically triggered atom transfer radical polymerization of oligo(ethylene glycol) methyl ether methacrylate ( M n = 300 g.mol −1 , OEGMA 300 ) using a Cu II ‐bipyridine complex (Cu II (bipy) 2 ) is investigated using a standard platinum (Pt) cathode before exploring alternative cathode materials including carbon‐based materials; graphite (Gr), glassy carbon (GC) and reticulated vitreous carbon (RVC). The polymerization of OEGMA 300 proceeds with a reduced electrolysis period and reaction time (t E app = 20 min, t OFF = 40 min) compared to the previously reported system. Under these conditions, alternative metal‐based electrodes did not perform as well as Pt; however, Gr, GC, and RVC electrodes furnished poly(oligo[ethylene glycol] methyl ether methacrylate) (POEGMA 300 ) with comparable, and the potential for superior control compared to Pt. Atom-transfer radical-polymerization ; Aqueous solution ; Electrolysis ; Ether ; Cathode ; Radical polymerization ; Polymerization ; Platinum ; Glassy carbon Advanced Polymer Synthesis and Characterization ; Conducting polymers and applications ; Radical Photochemical Reactions
Authors: Rawinun Sutthikitivorakul | Pranee Phinyocheep | Wasan Tessanan
Source: Trends in Sciences (article, 2025-03-15)
Field: Materials Science — Biomaterials

Enhancing Mechanical and Thermal Properties of Recycled Poly(Lactic Acid) with Multi-Branched Polyethyleneimine for Sustainable Recycling Applications The single-use plastic coffee cup made from poly(lactic acid) (PLA) was modified for sustainable recycling to widen its applications by melt blending with multi-branched polyethyleneimine. Different concentrations (0.25 to 1 wt.%) and molecular weights (Mw of 2,000 and 25,000 g/mol) of the multi-branched polyethyleneimine (MPEI) were utilized as a mechanical modifier for the recycled poly(lactic acid) (rPLA). As a result, an attenuated total reflectance accessory equipped with Fourier transform infrared spectroscopy (ATR-FTIR) and carbon nuclear magnetic resonance spectroscopy (13C-NMR) indicated the formation of the amide linkage between the carboxylic acid group of rPLA and the amine group of MPEI under the given melt mixing condition. Incorporating 0.75 wt.% of MPEI, with a molecular weight of 25,000 g/mol, significantly enhances the properties of recycled PLA, increasing tensile strength by about 9 MPa and impact resistance by around 3.6 kJ/m² compared to the unmodified rPLA. The phase morphological property of rPLA/MPEI blend system exhibited a typical miscible blend and ductile microstructure aspect, characterized by uniform homogeneity and visible microfibrils on the impact-fractured surface. A slight decrease in the glass transition temperature (Tg) further indicated enhanced interfacial interactions, contributing to improved mechanical performance. Furthermore, the incorporation of MPEI notably increases the thermal decomposition temperature of the blends, demonstrating its effectiveness in enhancing the mechanical and thermal properties of recycled PLA. This advancement paves a promising strategy for expanding the material’s applicability while fostering sustainable recycling into high-value products. HIGHLIGHTS Single-use coffee plastic waste from poly(lactic acid) was developed for recycling to broader applications through blending with multi-branched polyethyleneimine. Multi-branched polyethyleneimine was utilized to effectively optimize the mechanical and thermal properties of the polymeric blends. The addition of MPEI significantly improved the mechanical strength and fracture resistance of recycled poly(lactic acid). The blends exhibit a typical miscible microstructure with a ductile appearance, reflecting improved material compatibility and flexibility. Enhanced thermal stability of recycled poly(lactic acid) was achieved by incorporating multi-branched polyethyleneimine. GRAPHICAL ABSTRACT Lactic acid ; Thermal ; Materials science ; Chemical engineering ; Geology ; Engineering ; Bacteria biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis
Authors: Mingxiao Ma | Xiangdong Yao | Jiang-Long Wang | Xingqiang Shi | Ruining Wang | Ruqian Lian | Dongxiao Kan | Jing Cai
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Structural engineering of MXenes for enhanced magnesium ion diffusion: a computational study The unique layered structure and tunable surface terminations of MXenes play a critical role in Mg<sup>2+</sup> storage and diffusion dynamics. This study systematically investigates the behavior of Mg<sup>2+</sup> in Ti<sub>3</sub>C<sub>2</sub>O<sub>2</sub> and its nitrogen-doped derivatives through theoretical calculations. In Ti<sub>3</sub>C<sub>2</sub>O<sub>2</sub> monolayers, Mg<sup>2+</sup> exhibits a high diffusion barrier of 0.81 eV due to strong electrostatic interactions. However, AA-stacking reduces this barrier to 0.32 eV by introducing staggered active sites. The instability caused by interlayer O-O repulsion is mitigated by modulating the N/O ratio (Ti<sub>3</sub>C<sub>2</sub>O<sub>1.78</sub>N<sub>0.22</sub>), resulting in a diffusion barrier of 0.27 eV. Transition metal substitution further optimizes performance, as exemplified by Nb<sub>3</sub>C<sub>2</sub>N<sub>2</sub>, which achieves an ultralow barrier of 0.23 eV through weakened N-N covalency and enhanced metal-N interactions. Voltage analysis reveals that Nb<sub>3</sub>C<sub>2</sub>N<sub>2</sub> possesses dual functionality as both cathode (4.00 V) and anode (0.64 V), contrasting with the anode-specific behavior observed in Ti-based MXenes. MXenes ; Stacking ; Diffusion ; Magnesium ; Ion ; Metal ; Materials science ; Chemistry ; Chemical physics ; Nanotechnology ; Physics ; Thermodynamics ; Metallurgy ; Organic chemistry MXene and MAX Phase Materials ; Graphene research and applications ; Advanced Memory and Neural Computing
Authors: Hongbin Wang | Le‐Xin Wang | Linqing Luo | Liang Cheng | Xu Xu
Source: Journal of Inorganic Materials (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Electrolytic CO <sub>2</sub> Performance of La <sub>0.3</sub> Sr <sub>0.6</sub> Ti <sub>1-</sub> <i> <sub>x</sub> </i> Ni <i> <sub>x</sub> </i> O <sub>3-</sub> <i> <sub>δ</sub> </i> -based Fiber Fuel Electrode for Solid Oxide Electrolysis Cell Materials science ; Analytical Chemistry (journal) ; Crystallography Advancements in Solid Oxide Fuel Cells ; Fuel Cells and Related Materials ; Catalytic Processes in Materials Science
Authors: Jie Zhang | Tianliang Zhao | Tingping Hou | Yanjun Li | Kaiming Wu
Source: Metals (article, 2025-06-30)
Field: Materials Science — Materials Chemistry

Ductile–Brittle Transition Mechanism and Dilute Solution Softening Effect of Body-Centered Cubic Metals Body-centered cubic (BCC) metals, extensively utilized in low-alloy high-strength steels and heat-resistant alloys, exhibit a pronounced ductile–brittle transition (DBT) at cryogenic temperatures, marked by a well-defined yet narrow ductile–brittle transition temperature (DBTT) window. This paper overviews the research progress regarding the DBT mechanism of BCC metals. This mechanism was recently found to be related to the mobility of screw dislocation relative to edge dislocation, a decrease in which can induce a critical drop in the proliferation efficiency of dislocation sources. Furthermore, this paper summarizes the current research on the dilute solution softening effect of BCC metals, which has been frequently observed and studied in refractory alloys. The mechanism of this effect involves the low-temperature mobility of screw dislocations that could be promoted by specific solute atoms through kink pair nucleation. This offers a potential strategy for reducing the DBTT of low-alloy steels using a dilute solution, namely microalloying in metallurgy. However, the current understanding of the relationship between the macroscopic ductility of BCC alloys and the dilute solution softening effect is limited. This review aimed to draw attention to this relationship and strengthen related research. Softening ; Brittleness ; Materials science ; Mechanism (biology) ; Transition metal ; Metallurgy ; Composite material ; Chemistry ; Physics ; Organic chemistry Microstructure and mechanical properties ; Metallurgy and Material Forming ; Additive Manufacturing Materials and Processes
Authors: Juan Peña‐Martínez | Jessica Beltrán Martínez | Ana Cano-Ortíz | Noelia Rosales‐Conrado
Source: Sustainable Chemistry (review, 2025-05-19)
Field: Chemistry — Physical and Theoretical Chemistry

Teaching the Nature of Science Through Biodiesel Synthesis from Waste Cooking Oil: A Literature Review with Experimental Insights This work reviews the use of biodiesel synthesis experiments in science education, emphasising their potential for explicit nature of science (NOS) teaching. Through a literature review and experimental insights, it highlights how transesterification of waste cooking oil (WCO) with a basic catalyst can serve as an educational tool. While biodiesel reaction conditions are well-documented, this study presents them in a pedagogical context. Simple viscosity and density measurements illustrate empirical analysis, while a design of experiments (DoE) approach using a Hadamard matrix introduces systematic optimisation and scientific reasoning. By integrating biodiesel synthesis with explicit NOS instruction, this work provides educators with a framework to foster critical thinking and a deeper understanding of scientific inquiry. Additionally, this approach aligns with green chemistry principles and resource efficiency, reinforcing the broader relevance of sustainable chemistry. Biodiesel ; Cooking oil ; Biochemical engineering ; Waste management ; Environmental science ; Engineering ethics ; Engineering ; Chemistry ; Organic chemistry Various Chemistry Research Topics ; Biodiesel Production and Applications
Authors: Fue Han | Hongwei Zhang | Jingnan Zhang
Source: Nanomaterials (article, 2025-04-03)
Field: Materials Science — Ceramics and Composites

The Macroscopic Stress–Macroscopic Strain Relationship of the Hierarchical Honeycomb Nanoporous Materials by the Spherical Nanoindentation Simulation The spherical nanoindentation macroscopic stress-macroscopic strain relationship of hierarchical honeycomb nanoporous material is defined by combining the spherical nanoindentation simulation and the uniaxial compression simulation. At the same time, the macroscopic elastic modulus and the macroscopic yielding stress of the hierarchical material are obtained from the curves through different methods. The results show that the macroscopic stress-macroscopic strain curve of the hierarchical nanoporous materials nanoindented to a depth of 30 nm is basically consistent with the curve of the hierarchical nanoporous materials when uniaxially compressed down to 25 nm. Through the nanoindentation and uniaxial compression, the macroscopic elastic moduli and the macroscopic yielding stresses are also close to the scale formula. Nanoindentation ; Nanoporous ; Materials science ; Elastic modulus ; Composite material ; Stress–strain curve ; Stress (linguistics) ; Compression (physics) ; Nanotechnology ; Deformation (meteorology) Advanced ceramic materials synthesis ; Metal and Thin Film Mechanics ; Advanced materials and composites
Authors: Răzvan Ştefan Boiangiu | Nicoleta Laura Popa | Marius Mihăşan
Source: Biochemistry and Molecular Biology Education (article, 2025-04-11)
Field: Chemistry — Physical and Theoretical Chemistry

Impact of <scp>3D</scp>‐printed molecular models on student understanding of macromolecular structures: a compensatory research study A strong understanding of molecular structure is key for mastering structure-function concepts in life sciences and is based on the visualization of biomolecules. Therefore, various approaches to help students translate between the 2D space of a textbook figure to the 3D space of a molecule have been developed. Object-based learning is an approach that gives students a tangible way to view and manipulate physical structures in three dimensions, strengthening learning and challenging students to engage with and interrogate the object. In this work, atomically accurate physical models of macromolecules have been fabricated using consumer-grade 3D printers and integrated into two lectures. The impact of the models on students' ability to overcome common misunderstandings related to proteins and DNA structures was evaluated in a randomized controlled experiment using a compensatory research design. To our knowledge, this is the first time when such a design, where each of the two groups of students works alternatively as a control and as an intervention group, has been used to evaluate the impact of physical models on learning gains. Presenting the physical molecular models in the class and allowing students 3-5 min to handle them was enough to convert low-gain lectures into medium-gain lectures. The students found the models helpful because they offered a hands-on experience, enhancing their focus and engaging their visual memory. Despite some identified drawbacks, using physical models of molecules fabricated using 3D printing is a great way of improving bio-molecular education with low costs. Object (grammar) ; Visualization ; Class (philosophy) ; Computer science ; Function (biology) ; Human–computer interaction ; Multimedia ; Space (punctuation) ; 3d printed ; Mathematics education ; Nanotechnology ; Artificial intelligence ; Psychology ; Engineering ; Materials science ; Biology ; Biomedical engineering Various Chemistry Research Topics ; Science Education and Perceptions ; Science Education and Pedagogy
Authors: Christina Schmidt | Kristina Lorenzen | Joachim Schulz | Huijong Han
Source: Biomolecules (review, 2025-10-22)
Field: Materials Science — Materials Chemistry

Standard Sample Preparation for Serial Femtosecond Crystallography The development of serial crystallography (SX), including serial synchrotron crystallography (SSX) at synchrotron sources and serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs), has facilitated the collection of high-resolution diffraction data from micron-sized crystals, providing unique insights into the structures and dynamics of biomolecules at room temperature. Standard samples are essential for the commissioning of new XFEL instruments and the validation of experimental setups. In this review, we summarize currently used standard proteins and describe representative microcrystal preparation workflows for four widely adopted models, lysozyme, myoglobin, iq-mEmerald, and photoactive yellow protein (PYP), drawing on established methodologies and accumulated experience from their applications at the European XFEL. By consolidating existing knowledge and integrating protocols that have been systematically refined and optimized through our experimental efforts, this review aims to provide practical guidance for the serial crystallography community, thereby enhancing reproducibility and ensuring consistent experimental performance across facilities. Femtosecond ; Synchrotron ; Reproducibility ; Diffraction ; X-ray crystallography ; Laser ; Workflow ; Sample preparation ; Angstrom Enzyme Structure and Function ; Crystallization and Solubility Studies
Authors: Minho Yoon | Seongjae Choi | Heung‐Sik Kim
Source: ACS Omega (article, 2025-01-06)
Field: Materials Science — Materials Chemistry

Direct Observation of Photoexcited Localized Energy States of Atomically Deposited ZnO Transistors by Analyzing Transfer Characteristics Zinc oxide (ZnO) thin-film transistors (TFTs) can be promising for applications in wide-band light absorption. However, they suffer from retarded photoresponse characteristics due to atomic defects and the resulting localized electronic states. To investigate the photoinduced localized states of the ZnO TFTs, here, we combine X-ray photoelectron spectroscopy, atomic force microscopy, and density functional theory (DFT) calculations. Specifically, we derive a relationship between the density of states (DOS) and the thermally activated field-effect mobility. The derived model allows us to extract the DOS of photoexcited ZnO TFTs, which notably increased under light exposure, indicating that the lattice structure of the ZnO film changes. DFT calculations further support this finding, showing that photoinduced oxygen vacancies result in lattice distortions along the <i>c</i>-axis. These results suggest that the sluggish photoresponse of ZnO TFTs originates from light-induced lattice distortion caused by photoinduced oxygen vacancies, which create extended localized states. Materials science ; Density functional theory ; Optoelectronics ; Thin-film transistor ; X-ray photoelectron spectroscopy ; Density of states ; Spectroscopy ; Band gap ; Lattice (music) ; Transistor ; Zinc ; Molecular physics ; Condensed matter physics ; Nanotechnology ; Chemistry ; Computational chemistry ; Nuclear magnetic resonance ; Physics ZnO doping and properties ; Thin-Film Transistor Technologies ; Ga2O3 and related materials
Authors: Ivan Vrdoljak | Ivana Miličević | Oliver Romić | Robert Bušić
Source: Journal of Composites Science (article, 2025-12-02)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Effect of High Carbon Nanotube Content on Electromagnetic Shielding and Mechanical Properties of Cementitious Mortars The increasing exposure to non-ionizing electromagnetic (EM) radiation driven by urbanization and digitalization has encouraged the development of building materials with EM shielding properties. This study investigates the potential of enhancing the electromagnetic shielding properties of cement mortars by incorporating multi-walled carbon nanotubes (MWCNT) in various dosages (1%, 3%, 6%, 9% and 10% by binder mass). The microstructural and mechanical effects of MWCNT addition, as well as their efficiency in reducing EM transmission in the frequency range of 1.5–10 GHz (covering LTE, 5G, WiFi, and radar systems), were analyzed. S21 measurements were performed using a modified coaxial transmission line method with a vector network analyzer. Results show that increasing the MWCNT content enhances EM shielding effectiveness but simultaneously affects the mortar’s microstructure and mechanical properties. Higher MWCNT levels achieved the best EM shielding, with an improvement of up to 27.66 dB compared to ordinary mortar in the navigation radar frequency range. These findings confirm the potential of MWCNT-modified mortars for protecting buildings and sensitive infrastructure—such a hospitals, communication hubs, data centers and military facilities—from EM radiation. Electromagnetic shielding ; Mortar ; Carbon nanotube ; Microstructure ; Cementitious ; Electromagnetic radiation ; Microwave ; Radar Electromagnetic wave absorption materials ; Electromagnetic Fields and Biological Effects ; Smart Materials for Construction