jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: M. Pylypenko | O.V. Yefimov
Source: Voprosy atomnoj nauki i tehniki. Seriâ âderno-fizičeskie issledovaniâ (article, 2026-01-30)
Field: Materials Science — Materials Chemistry

IMPROVEMENT OF STRUCTURAL MATERIAL FOR FUEL ELEMENT CLADDING OF THE DOMESTIC NUCLEAR REACTORS Improvement in the properties, such as corrosion and radiation resistance, of structural zirconium alloys fuel claddings for NPP nuclear reactors by optimizing the Fe content in them is considered. The need to ensure high radiation and corrosion resistance and reliability of fuel claddings for the safe operation of pressurized water reactors of NPPs under operating conditions is substantiated. The technology of magnesium-thermal production of spongy zirconium on laboratory installations has been studied because the using the zirconium sponge as the base of alloys provide safety criteria under LOCA conditions. Experimental studies have shown that the optimization of the Fe content in the Zr-1%Nb alloy leads to an increase in corrosion resistance in the coolant and resistance to radiation growth during irradiation. The processing of the results of the experimental studies made it possible to determine the optimal Fe content for the Zr-1%Nb alloy for fuel claddings. Cladding (metalworking) ; Corrosion ; Coolant ; Zirconium alloy ; Zirconium ; Spent nuclear fuel ; Alloy ; Nuclear fuel ; Structural material Nuclear Materials and Properties ; Thermodynamic and Structural Properties of Metals and Alloys ; Nuclear reactor physics and engineering
Authors: Abidin Gümrükçüoğlu
Source: RSC Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Synthesis and characterization of heterostructured carbon nanodots derived from <i>Pinus pinea</i> L. bark for enhanced Fe <sup>3+</sup> sensing and antioxidant activity <i>Pinus pinea</i> L. bark residues were utilized for the environmentally friendly synthesis of PP300-3 carbon nanodots (synthesized <i>via</i> pyrolytic treatment at 300 °C for 3 hours). Comprehensive structural characterization employing high-resolution transmission electron microscopy (HR-TEM), scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) revealed a hybrid nanostructure comprising crystalline graphitic domains and amorphous carbon regions. This heterogeneous structure provides excellent photoluminescent properties with a quantum yield of 3.8%. Photoluminescent characteristics were investigated through wavelength-dependent optical studies, revealing optimal photon emission efficiency at 320 nm. Screening experiments with thirty-three metal ions demonstrated that Fe<sup>3+</sup> exhibited high selectivity. Although five metal ions (Au<sup>3+</sup>, Bi<sup>3+</sup>, Pd<sup>2+</sup>, Pt<sup>2+</sup>) caused some fluorescence quenching, only Fe<sup>3+</sup> demonstrated a linear dose-dependent response suitable for quantitative analysis. With excellent analytical performance (<i>R</i> <sup>2</sup> = 0.9926, RSD < 2%, LOD = 35.43 µg L<sup>-1</sup>), a simple spectrofluorometric protocol for Fe<sup>3+</sup> determination was developed and validated in real water samples, achieving 99.56% recovery rates. Antioxidant evaluation using FRAP, CUPRAC, and DPPH assays demonstrated significant free-radical scavenging efficiency. Low SC<sub>50</sub> concentrations (4.36 ± 0.92 mg mL<sup>-1</sup>) indicate robust electron-transfer capacity and valuable antioxidant activity. In conclusion, PP300-3 carbon nanodots represent a versatile platform material with simple synthesis, environmentally friendly production, excellent analytical performance, and significant antioxidant activity, making them suitable for environmental monitoring, water quality control, and biomedical research. X-ray photoelectron spectroscopy ; Carbon fibers ; Photoluminescence ; Amorphous carbon ; Nanodot ; Fluorescence ; Fourier transform infrared spectroscopy ; Quantum yield ; Metal ions in aqueous solution Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors
Authors: Miroslava Novoveska | Thomas F. Headen | Andrea Sella | Adam J. Clancy | NEAL SKIPPER | Camilla Di Mino
Source: ChemRxiv (article, 2026-02-17)
Field: Chemistry — Physical and Theoretical Chemistry

Very Weak but Strongly Directional N-H∙∙∙π Hydrogen Bonds in Benzene Ammonia/Methylamine Solutions N-H∙∙∙π hydrogen bonding plays an important role in chemistry and biochemistry, from molecular recognition to protein folding and drug-receptor binding. Much of our understanding of such interactions is derived from X-ray crystallographic structures and experimental or theoretical studies of gas phase clusters. However, N-H∙∙∙π interactions have seldom been observed directly in their native liquid state. In this context, solutions of benzene, the archetypal π-system, with ammonia or methylamine, the simplest N-H donors, are an excellent model system. Total neutron scattering and simulation-based data refinement reveal that benzene solvation in ammonia and methylamine comprises ~17 and ~14 molecules respectively, with recurrent N-H∙∙∙π interactions. These hydrogen bonds show strong directionality in spite of a relatively long bonding distance of 2.55 Å and 2.75 Å in methylamine and ammonia, respectively. Methylamine makes a closer N-H∙∙∙π approach than ammonia, the latter being held away from the aromatic ring by the network of N-H•••N hydrogen bonds to the surrounding ammonia molecules, that is naturally disrupted in methylamine by the presence of the methyl group. Near the plane of the benzene ring, the solvation has six-fold symmetry and is dominated by bifurcated C-H∙∙∙N hydrogen bonds: the methyl group of methylamine enhances dispersion interactions around the ring that compete with the C-H∙∙∙N hydrogen bonds to structure the benzene's coordination sphere. These findings have profound implications for our understanding of this important class of weak interactions in solution, where the remarkable directionality at such distances is a structural driver in biological complexes. Methylamine ; Hydrogen bond ; Solvation ; Ring (chemistry) ; Molecule ; Benzene ; Hydrogen ; Directionality Crystallography and molecular interactions ; Advanced Chemical Physics Studies ; Protein Structure and Dynamics
Source:  (article, 2026-03-02)
Field: Materials Science — Biomaterials

Modern Perspectives on Niosomal Drug Delivery: Technological Progress, Mechanisms of Action, and Biomedical Applications Niosomal drug delivery systems have become versatile drug nanocarriers because of its structural flexibility, physicochemical stability, cost effectiveness and capacity to encapsulate both hydrophilic and hydrophobic therapeutic agents.It composed of mainly of non-ionic surfactants and cholesterol, niosomes provide controlled release of the drugs, improved bioavailability and better pharmacokinetic profiles as compared to conventional delivery systems.This is a critical analysis of the technological development of niosomes focusing on the most important physicochemical and biopharmaceutical variables that modulate the stability of the vesicle, the loading of the drug, the biodistribution and the therapeutic efficacy of the formulation.Advances in formulation strategies such as one such approach: microfluidic fabrication, surface functionalization, stimuli-responsive designs, and hybrid architectures, have greatly increased their biomedical uses in the fields of oncology, dermatology, infectious diseases, neurological disorders, gene and vaccine delivery.Mechanistic understandings of cellular uptake, barrier penetration, and control release are pointed out.In spite of some significant progress, there are still challenges concerning long term stability, large scale manufacturing, and harmonizing regulations.Future combination of Quality by Design, artificial intelligence, and continuous manufacturing is likely to facilitate clinical translation of niosomal nanomedicines. Drug ; Niosome ; Drug discovery ; Pharmaceutical technology ; Biomedicine Nanoparticle-Based Drug Delivery ; Extracellular vesicles in disease ; Nanoplatforms for cancer theranostics
Authors: Ruchira Basu | Steven Fletcher
Source: RSC Chemical Biology (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Protein structural dynamics in covalent drug design: insights from irreversible and reversible covalent inhibitors Proteins form complex networks critical to various biological processes; many become involved in disease-related pathologies - only a subset of these proteins are considered to be druggable by conventional, non-covalent small-molecule therapeutics. Covalent drugs, which encompass irreversible inhibitors and reversible covalent inhibitors, are small-molecule modalities that chemically conjugate with their therapeutic targets and have emerged as a strategy to more effectively target these proteins, with structure-based approaches guiding their design, and achieving an improved therapeutic effect, predominantly through sustained inhibitions. In this review, we focus on the impact of covalent bond formation on protein structural dynamics, such as the generation/trapping of cryptic pockets, and how these phenomena may be leveraged in orthosteric and allosteric drug design. Further, while irrreversible inhibitors result in longer residence times with permanent changes of target proteins that will require protein re-synthesis, reversible covalent inhibitors enjoy the benefit of samplng different adducts, wherein one particular conjugate may be favoured through stabilizing structural reogranizations; this may prove significant when a protein presents multiple nucleophilic residues, and selectivity is a concern. Herein, we explore selected case studies that examine the mechanistic consequences of protein-drug conjugations, recommending a more dynamic structural perspective in rational drug development. Covalent bond ; Druggability ; Allosteric regulation ; Conjugate ; Drug discovery ; Protein structure ; Protein–protein interaction ; Peptidomimetic ; Covalent binding Click Chemistry and Applications ; Protein Degradation and Inhibitors ; Synthesis and Reactivity of Heterocycles
Authors: Katrin Amann-Winkel | Yizhi Liu | Tobias Eklund | Aigerim Karina | Svenja Hoevelmann | Robert Bauer | Seonju You | Claudia Goy | Nele Striker | Alexander Gierke | Kenneth Hess | Kai Schlage | Lars Bocklage | Fernando Ardana Lamas | Hao Wang | Yifeng Jiang | Yohei Uemura | Christopher Milne | Kyung Hwan Kim | Bridget Murphy | Felix Lehmkuhler | Peter Zalden
Source: Research Square (preprint, 2026-02-02)
Field: Materials Science — Materials Chemistry

Formation of nanoscale vacuum films governing thermal resistance in amorphous ice Amorphous solid ; Nanoscopic scale ; Dewetting ; Picosecond ; Amorphous ice ; Diffraction ; Thermal ; Molecular dynamics ; Crystallization Material Dynamics and Properties ; nanoparticles nucleation surface interactions ; Surface Modification and Superhydrophobicity
Authors: David G. Nicol | Aurora Uras | Nathalie Lidgi-Guigui | William J. Peveler | Núria Martínez-Carreras | Fabien C−P. Massabuau
Source: ACS Applied Optical Materials (article, 2026-02-04)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Gallium Oxide-Based Photodetectors for Water Quality Monitoring We present an approach to water quality monitoring using gallium oxide (Ga<sub>2</sub>O<sub>3</sub>) ultrawide-band-gap semiconductors. Nitrates, dissolved organic carbon, and suspended solid concentrations are three commonly measured water quality parameters that display optical absorption ranging from the deep ultraviolet to the visible region. This broad spectral region poses a challenge for accurate and efficient (simultaneous) measurement of absorption/extinction arising from varying concentrations of these parameters because silicon (Si), the classical detector material, has poor performance across this optical region. To overcome these limitations, we propose the use of ultrawide-band-gap semiconductors to trace changes in optical absorption from varying water compositions by measuring the photocurrent response at different wavelengths. Here, we use α-phase Ga<sub>2</sub>O<sub>3</sub> as a suitable material to measure a broad photocurrent response ranging from 200 to 465 nm. The photocurrent response consisted of three well-defined regions inherently linked to the rich electronic landscape of the material. Region (i) (200-250 nm) corresponds to band-to-band excitation of charge carriers, aligning well with the absorption characteristics of nitrates. Region (ii) (250-350 nm) corresponds to band tail-related transitions, allowing a photocurrent response to dissolved organic carbon concentrations. Finally, we utilize defect-mediated transitions in Region (iii) (350-465 nm) to monitor suspended solid concentrations. It was observed here that the sensitivity of the photocurrent response to the changing water composition strongly depends on the excitation wavelength, where 225, 260, and 465 nm excitation yielded (for our setup) the best results for the monitoring of nitrates, dissolved organic carbon, and suspended solid concentrations, respectively. Photocurrent ; Photodetector ; Ultraviolet ; Absorption (acoustics) ; Semiconductor ; Gallium ; Excitation ; Photoconductivity Ga2O3 and related materials ; Advanced Photocatalysis Techniques ; Neonatal and Maternal Infections
Authors: Kaique do Rosário Oliveira | Sergio Luis Gonzalez Gonzalez Assias | Merlin C. E. Bandeira | Davi Ferreira de Oliveira | Hector Guillermo Kotik | Cesar Giron Camerini
Source: Materials (article, 2026-04-10)
Field: Materials Science — Metals and Alloys

Monitoring Hydrogen-Induced Cracking in Tensile Wires of Flexible Pipes by Acoustic Emission Technique This study explored the continuous monitoring of hydrogen-induced cracking (HIC) in high-strength steel tension wires used in metal-based flexible pipes, exposed to a H2S-saturated aqueous environment, using acoustic emission (AE) techniques. Armor wire samples were subjected to sour conditions under controlled environments for 24 and 96 h. To reinforce and validate the AE findings, a comprehensive characterization was performed, including X-ray microtomography, optical microscopy, and scanning electron microscopy. The experimental results demonstrated that AE techniques effectively monitored the evolution of HIC damage in the armor wire samples, enabling the identification of distinct damage stages and cracking phenomena. These findings confirm that AE can serve as a valuable complementary tool during HIC testing, optimizing test duration and providing insights into the kinetics of the cracking process. Acoustic emission ; Cracking ; Ultimate tensile strength ; Tension (geology) ; Tensile testing ; Characterization (materials science) Hydrogen embrittlement and corrosion behaviors in metals ; Material Properties and Failure Mechanisms ; Structural Integrity and Reliability Analysis
Authors: Jorge I. Mendoza | Raúl G. Zambrano | María J. Jurado | Luis Miguel López Carral | María Isabel Lamas
Source: Applied Sciences (article, 2026-03-11)
Field: Materials Science — Metals and Alloys

Mechanical, Numerical and Microstructural Assessment of Hydrogen Embrittlement in ASTM A36 Steel Under Four-Point Bending Loading Hydrogen embrittlement poses a recognized risk to the structural integrity of carbon steels used in maritime and hydrogen-related infrastructure. This study presents an experimental, numerical, and microstructural assessment of hydrogen embrittlement in ASTM A36 steel under four-point bending loading. Specimens with and without pre-existing notches were subjected to controlled cathodic hydrogen charging for exposure times up to 36 h to evaluate the combined effects of hydrogen diffusion and stress concentration. Experimental force–vertical displacement responses showed a progressive degradation of mechanical performance with increasing hydrogen exposure, characterized by reductions in yield force, ultimate force, and flexural stiffness, with more evident effects in notched specimens. Quantitative analysis indicated reductions of up to approximately 15% in yield force and 4% in flexural rigidity. Finite element models were developed to reproduce the experimental force–displacement behavior, showing good agreement and supporting the adopted numerical approach. Microstructural analysis by scanning electron microscopy revealed hydrogen-assisted damage mechanisms, including intergranular and transgranular microcracking, interfacial decohesion, hydrogen trapping at inclusions, and localized surface blistering near notch roots. The combined results indicate that hydrogen exposure leads to measurable reductions in stiffness and load-bearing capacity, particularly in the presence of geometric discontinuities. Hydrogen embrittlement ; Hydrogen ; Embrittlement ; Bending ; Flexural strength ; Intergranular corrosion ; Finite element method ; Intergranular fracture ; Cathodic protection Hydrogen embrittlement and corrosion behaviors in metals ; Structural Integrity and Reliability Analysis ; Material Properties and Failure Mechanisms
Authors: David Nicol | Aurora Uras | Nathalie Lidgi-Guigui | William J. Peveler | Núria Martínez-Carreras | Fabien C-P. Massabuau
Source: ENLIGHTEN (Jurnal Bimbingan dan Konseling Islam) (article, 2026-01-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Gallium oxide-based photodetectors for water quality monitoring We present an approach to water quality monitoring using gallium oxide (Ga2O3) ultrawide-band-gap semiconductors. Nitrates, dissolved organic carbon, and suspended solid concentrations are three commonly measured water quality parameters that display optical absorption ranging from the deep ultraviolet to the visible region. This broad spectral region poses a challenge for accurate and efficient (simultaneous) measurement of absorption/extinction arising from varying concentrations of these parameters because silicon (Si), the classical detector material, has poor performance across this optical region. To overcome these limitations, we propose the use of ultrawide-band-gap semiconductors to trace changes in optical absorption from varying water compositions by measuring the photocurrent response at different wavelengths. Here, we use α-phase Ga2O3 as a suitable material to measure a broad photocurrent response ranging from 200 to 465 nm. The photocurrent response consisted of three well-defined regions inherently linked to the rich electronic landscape of the material. Region (i) (200–250 nm) corresponds to band-to-band excitation of charge carriers, aligning well with the absorption characteristics of nitrates. Region (ii) (250–350 nm) corresponds to band tail-related transitions, allowing a photocurrent response to dissolved organic carbon concentrations. Finally, we utilize defect-mediated transitions in Region (iii) (350–465 nm) to monitor suspended solid concentrations. It was observed here that the sensitivity of the photocurrent response to the changing water composition strongly depends on the excitation wavelength, where 225, 260, and 465 nm excitation yielded (for our setup) the best results for the monitoring of nitrates, dissolved organic carbon, and suspended solid concentrations, respectively. Photocurrent ; Photodetector ; Ultraviolet ; Absorption (acoustics) ; Semiconductor ; Gallium ; Excitation ; Photoconductivity Ga2O3 and related materials ; Neonatal and Maternal Infections ; Advanced Photocatalysis Techniques
Authors: Wenyan Zhai
Source: Coatings (article, 2026-03-05)
Field: Materials Science — Materials Chemistry

Protective Coatings for Demanding Applications: A Special Issue on the Deposition, Characterization, and Performance of Advanced Anti-Corrosion and Lubricating Systems In short, a coating is a functional thin film “grown” on the surface of a substrate, prepared through physical, chemical, or mechanical methods [...] Coating ; Metal coating Corrosion Behavior and Inhibition ; Metal and Thin Film Mechanics ; Surface Modification and Superhydrophobicity
Authors: K. P. Soundarapandian | Sebastián Castilla | Stefan M. Koepfli | Simone Marconi | Laurenz Kulmer | Ioannis Vangelidis | R. De La Bastida | Enzo Rongione | Bernat Terrés | Seth Ariel Tongay | Kenji Watanabe | Takashi Taniguchi | Elefterios Lidorikis | Klaas‐Jan Tielrooij | Juerg Leuthold | Frank H. L. Koppens
Source: Nature Communications (article, 2026-03-25)
Field: Materials Science — Materials Chemistry

High-speed graphene-based sub-terahertz receivers enabling wireless communications for 6G and beyond Wireless data traffic has grown at an unprecedented rate, creating an urgent need for innovative solutions to overcome current technological limitations. Sub-terahertz (sub-THz) carrier frequencies offer increased capacity and low attenuation for short-range wireless applications. Here, we demonstrate sub-THz receivers based on graphene, which offer several advantages over state-of-the-art sub-THz receivers, such as a direct detection scheme, passive operation, and compactness. We exploit multiple concepts incorporated into a single device, including a high-quality sub-THz cavity placed in the vicinity of a high-mobility graphene channel to overcome its intrinsically low absorption. The graphene receivers achieve a multigigabit-per-second data rate with a maximum distance of ~ 3 m from the transmitter. We demonstrate a trade-off between bandwidth and responsivity: a setup-limited 40 GHz bandwidth in low-responsivity devices, and a maximum responsivity of 0.16 A/W in devices with a 2 GHz bandwidth. Our findings enable applications such as chip-to-chip communication and close-proximity device-to-device communication. Bandwidth (computing) ; Wireless ; Exploit ; Graphene ; Responsivity ; Channel (broadcasting) ; Chip Graphene research and applications ; Millimeter-Wave Propagation and Modeling ; Plasmonic and Surface Plasmon Research
Authors: Giulio Cordaro | Juande Sirvent | Cristian Mocuta | Fjorelo Buzi | Thierry Martin | Federico Baiutti | Alex Morata | Albert Tarancón | Dominique Thiaudière | Guilhem Dezanneau
Source: ArXiv.org (article, 2026-02-19)
Field: Materials Science — Materials Chemistry

Wide-Surface Furnace for In Situ X-Ray Diffraction of Combinatorial Samples using a High-Throughput Approach The combinatorial approach applied to functional oxides has enabled the production of material libraries that formally contain infinite compositions. A complete ternary diagram can be obtained by pulsed laser deposition (PLD) on 100 mm silicon wafers. However, interest in such materials libraries is only meaningful if high-throughput characterization enables the information extraction from the as-deposited library in a reasonable time. While much commercial equipment allows for XY-resolved characterization at room temperature, very few sample holders have been made available to investigate structural, chemical, and functional properties at high temperatures in controlled atmospheres. In the present work, we present a furnace that enables the study of 100 mm wafers as a function of temperature. This furnace has a dome to control the atmosphere, typically varying from nitrogen gas to pure oxygen atmosphere with external control. We present the design of such a furnace and an example of X-ray diffraction (XRD) and fluorescence (XRF) measurements performed at the DiffAbs beamline of the SOLEIL synchrotron. We apply this high-throughput approach to a combinatorial library up to 735 {\textdegree}C in nitrogen and calculate the thermal expansion coefficients (TEC) of the ternary system using custom-made MATLAB codes. The TEC analysis revealed the potential limitations of Vegard's law in predicting lattice variations for high-entropy materials. Diffraction ; Characterization (materials science) ; TEC ; Beamline ; In situ ; Ternary operation ; Analytical Chemistry (journal) ; Lattice (music) ; Silicon Machine Learning in Materials Science ; Catalysis and Oxidation Reactions ; X-ray Diffraction in Crystallography