jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sultan F. Alsharari
Source: Bulletin of the National Research Centre/Bulletin of the National Research Center (article, 2025-02-06)
Field: Materials Science — Surfaces, Coatings and Films

Monte Carlo simulations of backscattered electron coefficients and average penetration depths for Cu, Au, and Al under electron irradiation Abstract Understanding and analyzing backscattered electron coefficients (BSCs) and average penetration depths (APDs) are critical in material science and electron microscopy. However, despite their importance, there are relatively few studies that cover a wide range of energies and a variety of materials for accurately calculating BSCs and APDs. Therefore, a Monte Carlo (MC) simulation was conducted to examine and explore the electron backscattering coefficients and average penetration depths of copper (Cu), gold (Au), and aluminum (Al) when bombarded by energetic electrons with energies ranging from 0 to 60 kilo-electron volts (keV) at normal incidence. The results showed strong agreement with experimental data. First, for the BSCs, we have deviations ranging from 0.3 to 5.4%. Second, the empirical calibration adjustment resulted in an excellent agreement with the experimental data of APDs. For Cu, the deviation was 3.32% at 5 keV. The exceptional agreement was observed at 9 keV for Au, with a deviation of just 0.08%. In the case of Al, the adjustment achieved a strong agreement with a deviation of 2.01%. These findings improve our understanding of backscattered electrons behavior by providing accurate simulations for Cu, Au, and Al across a wide energy range, resolving discrepancies, especially for low-Z materials such as aluminum (Z = 13). The improved accuracy in predicting APD and the original BSC results support scanning electron microscopy (SEM) applications, particularly in compositional and topographic imaging. Electron ; Monte Carlo method ; Penetration (warfare) ; Irradiation ; Materials science ; Penetration depth ; Electron beam processing ; Computational physics ; Atomic physics ; Physics ; Nuclear physics ; Optics ; Mathematics ; Statistics Electron and X-Ray Spectroscopy Techniques ; X-ray Spectroscopy and Fluorescence Analysis ; Ion-surface interactions and analysis
Authors: Yu Zou | Liguang Xiao
Source: Sustainability (article, 2025-07-11)
Field: Materials Science — Materials Chemistry

DOC Study on the Effects of Catalyst Active Component Loading and Carrier Properties on the Catalytic Conversion Efficiency of Key Gaseous Pollutants Based on engine bench testing, this study investigated the effect of diesel oxidation catalytic converter (DOC) formulations on the gaseous emissions performance of diesel engines equipped with a DOC+ catalyzed diesel particulate filter (CDPF)+selective catalytic reduction (SCR) system after the treatment system. The experimental results indicate that changes in DOC formulations have no significant effect on engine fuel economy. As the precious metal loading increases and the Pt/Pd ratio decreases, the T50 for CO and HC decreases, and the low-temperature conversion rates (&lt;300 °C) for CO and HC increase. However, as the temperature continues to rise, the beneficial effect of increased precious metal loading or Pd on CO and HC conversion rates gradually weakens. The average conversion rates in the high-temperature range (≥300 °C) show little difference. The NO conversion rate increases with increasing precious metal loading. The NO conversion rate is more sensitive to Pt content, with higher Pt content formulations promoting NO oxidation, contrary to the trends observed for CO and HC conversion rates. When the SCR inlet temperature is low, high NO2 concentrations are beneficial for improving the SCR’s NOx conversion efficiency. When the SCR inlet temperature is high, the SCR’s NOx conversion efficiency exceeds 90% with no significant differences. No significant impact of DOC formulation changes on CDPF pressure drop under external conditions was observed. Catalysis ; Pollutant ; Component (thermodynamics) ; Key (lock) ; Environmental science ; Catalytic efficiency ; Chemistry ; Materials science ; Environmental chemistry ; Chemical engineering ; Computer science ; Organic chemistry ; Engineering ; Physics ; Thermodynamics Catalytic Processes in Materials Science ; Industrial Gas Emission Control ; Catalysis and Oxidation Reactions
Authors: Wei Lu | Rimei Chen | Lianlong Zhan | Xiang Qin | Renting Huang | Lei Wang | Shuangfei Wang | Hui He
Source: Nano-Micro Letters (article, 2025-11-04)
Field: Chemistry — Organic Chemistry

Micro/Nano-Reconfigurable Robots for Intelligent Carbon Management in Confined-Space Life-Support Systems Strategically coupling nanoparticle hybrids and internal thermosensitive molecular switches establishes an innovative paradigm for constructing micro/nanoscale-reconfigurable robots, facilitating energy-efficient CO<sub>2</sub> management in life-support systems of confined space. Here, a micro/nano-reconfigurable robot is constructed from the CO<sub>2</sub> molecular hunters, temperature-sensitive molecular switch, solar photothermal conversion, and magnetically-driven function engines. The molecular hunters within the molecular extension state can capture 6.19 mmol g<sup>-1</sup> of CO<sub>2</sub> to form carbamic acid and ammonium bicarbonate. Interestingly, the molecular switch of the robot activates a molecular curling state that facilitates CO<sub>2</sub> release through nano-reconfiguration, which is mediated by the temperature-sensitive curling of Pluronic F127 molecular chains during the photothermal desorption. Nano-reconfiguration of robot alters the amino microenvironment, including increasing surface electrostatic potential of the amino group and decreasing overall lowest unoccupied molecular orbital energy level. This weakened the nucleophilic attack ability of the amino group toward the adsorption product derivatives, thereby inhibiting the side reactions that generate hard-to-decompose urea structures, achieving the lowest regeneration temperature of 55 °C reported to date. The engine of the robot possesses non-contact magnetically-driven micro-reconfiguration capability to achieve efficient photothermal regeneration while avoiding local overheating. Notably, the robot successfully prolonged the survival time of mice in the sealed container by up to 54.61%, effectively addressing the issue of carbon suffocation in confined spaces. This work significantly enhances life-support systems for deep-space exploration, while stimulating innovations in sustainable carbon management technologies for terrestrial extreme environments. Robot ; Adsorption ; Photothermal therapy ; Carbon fibers ; Molecule ; Nanorobotics ; Interface (matter) ; Amide ; Amino acid Supramolecular Chemistry and Complexes ; Micro and Nano Robotics ; Supramolecular Self-Assembly in Materials
Authors: Zihao Yuan | Jie Zhang | Delin Duan
Source: International Journal of Molecular Sciences (article, 2025-01-16)
Field: Chemistry — Inorganic Chemistry

Vanadium-Dependent Haloperoxidase Gene Evolution in Brown Algae: Evidence for Horizontal Gene Transfer Compared with green plants, brown algae are characterized by their ability to accumulate iodine, contributing to their ecological adaptability in high-iodide coastal environments. Vanadium-dependent haloperoxidase (V-HPO) is the key enzyme for iodine synthesis. Despite its significance, the evolutionary origin of V-HPO genes remains underexplored. This study investigates the genomic and evolutionary dynamics of V-HPOs in brown algae, focusing on Laminariales species, particularly <i>Saccharina japonica</i>. Genomic analyses revealed the extensive expansion of the V-HPO gene family in brown algae, with 88 V-HPOs identified in <i>S. japonica</i>, surpassing the number in red algae. Phylogenetic analysis demonstrated distinct evolutionary divergence between brown and red algal V-HPOs, with the brown algal clade closely related to bacterial V-HPOs. These findings suggest horizontal gene transfer (HGT) played a key role in acquiring V-HPO genes, particularly from Acidobacteriota, a bacterial phylum known for genomic plasticity. Additionally, enriched active transposable elements were identified around V-HPO genomic clusters, highlighting their role in tandem gene duplications and rapid HGT processes. Expression profiling further revealed dynamic regulation of V-HPOs in response to environmental conditions. This study provides new insights into how HGT has driven kelp genomic adaptations and enhances understanding of marine ecological success and evolutionary processes. Biology ; Horizontal gene transfer ; Brown algae ; Algae ; Gene ; Phylogenetic tree ; Red algae ; Genetics ; Botany Vanadium and Halogenation Chemistry ; Marine and coastal ecosystems ; Marine and coastal plant biology
Authors: Sofiane Meziani | Abdelkader Hammouti | Loïc Bodiou | Nathalie Lorrain | R. Chahal | Albane Bénardais | Rémi Courson | J. Trolès | Catherine Boussard‐Plédel | Virginie Nazabal | Joël Charrier
Source: Advanced Sensor and Energy Materials (article, 2025-03-18)
Field: Chemistry — Spectroscopy

Mid-infrared integrated spectroscopic sensor based on chalcogenide glasses: Optical characterization and sensing applications A mid-infrared (mid-IR) spectroscopic sensor is developed using a chalcogenide glasses (ChGs) platform with a broad transmission band. The ridge ChGs waveguides were patterned via standard i-line photolithography and reactive ion etching, following the deposition of guiding and confinement layers through RF magnetron sputtering. The waveguides exhibit a wide transparency range from λ ​= ​3.94–8.95 ​μm, with minimum propagation losses value of 2.5 ​dB/cm at λ ​= ​7.58 ​μm. To validate the feasibility of the suggested sensor, a spectroscopic gas sensing experiment was performed using CO 2 , resulting in an estimated limit of detection (LoD) of 1.16%v at λ ​= ​4.28 ​μm, achieved with an external confinement factor Γ of 6.5%. Additionally, liquid sensing experiment was carried out using isopropanol, obtaining a LoD of 300 ppmv at λ ​= ​7.25 ​μm. Chalcogenide ; Characterization (materials science) ; Infrared ; Materials science ; Optical sensing ; Chalcogenide glass ; Optoelectronics ; Nanotechnology ; Optics ; Physics Spectroscopy and Laser Applications ; Phase-change materials and chalcogenides ; Optical and Acousto-Optic Technologies
Authors: Mohammed Meiirbekov | Abussaid Yermekov | Marat Nurguzhin | Arman Kulbekov
Source: Eastern-European Journal of Enterprise Technologies (article, 2025-02-05)
Field: Materials Science — General Materials Science

Identifying the influence of winding angles on the strength properties of carbon fiber-reinforced plastic tubes In this paper, a study of carbon fiber reinforced plastic tubes, which are widely used in overwhelming of technical industries, including aerospace industry, with single and combined winding angles (30°, 45°, 60° and 80°) fabricated by wet winding method on X-Winder machine has been carried out. The core problem addressed in this research is identifying optimal winding angles of carbon fiber reinforced plastic tubes at which the strength parameters remain in a relative equilibrium. Compressive strength, tensile strength and impact strength tests were carried out. The results of specimens with single winding angle showed that a maximum tensile strength of 630 MPa was achieved at a winding angle of ±30° and a maximum compressive strength of 380 MPa was achieved at an angle of ±80°. The maximum value of impact strength was achieved at a winding angle of ±60°. In order to obtain a balance in the strength characteristics of the tubular rods, combined reinforced winding with ±30°/45°, ±30°/60°, ±30°/80°, ±80°/45° and ±80°/60° angles were investigated. High values of compressive strength of 434 MPa, tensile strength of 675 MPa and impact strength of 165 kJ/m2 were achieved with ±30°/80° combined winding angle. The fibers of the material, which were oriented closer to the compression direction, resulted in reduced efficiency of transferring compressive forces between the fibers and decreased compressive strength. This uniform stress distribution permitted the load to be equally divided between the fibers, which effectively utilized their strength properties. Thus, results confirmed the importance of selecting the optimal winding angles to create carbon fiber reinforced plastic tubes with the required strength properties Materials science ; Composite material ; Fibre-reinforced plastic ; Fiber ; Carbon fibers ; Structural engineering ; Engineering ; Composite number Material Properties and Applications ; Mechanical and Thermal Properties Analysis ; Mechanical Behavior of Composites
Authors: Giancarla Viviana Santa-Cruz-Mérida | Juliana Ikebe Otomo | Diego Ricardo Araoz-Prado | Elaine Aparecida Rodrigues | Delvonei Alves de Andrade | Oscar Vega Bustillos
Source: Water (article, 2025-04-14)
Field: Chemistry — Electrochemistry

Advanced Analytical Approaches for Phenolic Compounds in Groundwater: A PRISMA Systematic Review Groundwater is of vital significance to achieve the 2030 Agenda and its Sustainable Development Goals (SDGs); nevertheless, it remains vulnerable to contamination from phenolic compounds. This systematic review critically evaluates the chromatographic and spectrometric techniques applied in real-case groundwater contamination studies involving phenolic compounds. It highlights advances, limitations, and research gaps. A comprehensive research strategy retrieved a total of 345 publications from the Scopus and Web of Science databases, of which 52 (from the years 1984 to 2023) met the PRISMA criteria. The review identified 107 phenolic compounds across 25 countries. Temporal and spatial analyses, source identification, and pollutant profiles were systematically assessed per country. The study also mapped priority (n = 11) and hazardous (n = 27) phenolic compounds according to the USEPA, comparing their detectability across analytical methods. The most frequently applied techniques were LC-MS and LC-MS/MS, while GC-MS demonstrated competitive performance when combined with derivatization. The study found that contamination was predominantly reported in the Global North, with industrial and domestic sewage being the main sources. The highest concentrations reported were 40 × 106 ng/L for 4-methylphenol and 50 × 106 ng/L for phenol, both of which are hazardous substances typically linked to industrial/domestic effluents and the use of pesticides. These findings highlight the imperative for regulatory measures and international scientific collaboration to enhance groundwater monitoring, particularly in the Global South, where data scarcity persists. Groundwater ; Environmental science ; Geology ; Geotechnical engineering Electrochemical Analysis and Applications ; Water Quality Monitoring and Analysis ; Analytical chemistry methods development
Authors: Vincent J.P. Boerkamp | Marie Hennebelle | Jean‐Paul Vincken | John van Duynhoven
Source: Food Research International (article, 2025-01-04)
Field: Chemistry — Analytical Chemistry

Comprehensive quantitative profiling of vegetable oil oxidation products by NMR-based oxylipidomics Profiling (computer programming) ; Chemistry ; Computer science Spectroscopy and Chemometric Analyses ; Free Radicals and Antioxidants ; Electrochemical sensors and biosensors
Authors: Lin Wei | Zhenmin Li | Mingqin Shi | Song Wu | Zhaoyang Teng | Chi Zhang
Source: Frontiers in Nutrition (review, 2025-11-27)
Field: Chemistry — Organic Chemistry

Neuroprotective properties of extra virgin olive oil polyphenols in Alzheimer’s disease: a multi-target mechanistic review Alzheimer's disease (AD) is a complex neurodegenerative disorder characterized by β-amyloid (Aβ) deposition, hyperphosphorylated tau protein, neuroinflammation, and mitochondrial dysfunction. The limited efficacy of single-target pharmacological strategies has spurred interest in multi-target therapeutic approaches. Extra virgin olive oil (EVOO), rich in diverse polyphenolic compounds, has emerged as a promising source of such multi-target neuroprotective agents. This review systematically elucidates the mechanisms of key EVOO polyphenols-hydroxytyrosol, oleuropein, tyrosol, verbascoside, oleocanthal, and ligustroside-in combating AD pathology. We highlight the growing body of evidence demonstrating that these polyphenols can synergistically inhibit the aggregation of Aβ and tau, mitigate neuroinflammation, restore mitochondrial function, reduce oxidative stress, and promote neurogenesis. Preclinical studies in cellular and animal models of AD consistently show that EVOO polyphenols can ameliorate cognitive deficits and pathological hallmarks. Future research should focus on validating these benefits in animals and clinical trials and developing optimized formulations for clinical application. In conclusion, the bioactive polyphenols in EVOO present a compelling multi-targeted therapeutic strategy with significant potential to delay the progression of AD by concurrently modulating multiple key pathological pathways. Neuroprotection ; Polyphenol ; Olive oil ; Oxidative damage ; Cognitive decline ; Oxidative stress ; Clinical trial Edible Oils Quality and Analysis ; Neurological Disease Mechanisms and Treatments ; Alzheimer's disease research and treatments
Authors: Jan Kollár | Kateřina Kopalová | Tyler J. Kohler
Source: Fottea (article, 2025-04-01)
Field: Materials Science — Biomaterials

Diatom studies three decades into the molecular age: a bibliometric analysis reveals genetic underexploration of diatoms compared to other taxa Diatoms are among the most diverse and environmentally significant protists on Earth. Like many other organismal groups, a large portion of their diversity appears to lie beyond the resolution of the traditional light microscopy-based methods routinely and sometimes exclusively utilized in their investigation. Although the technological and conceptual developments in the fields of molecular biology and bioinformatics unlocked a remarkable opportunity to study diatoms in a previously unimagined depth and breadth, molecular diatomists anecdotally claim that diatoms remain genetically understudied compared to other taxa. However, this claim has never been quantified and rigorously tested. Therefore, we performed a bibliometric analysis of over 42,000 WoS-indexed diatom documents published in the past 35 years, between 1988 and 2023. The claim is confirmed: only ~15% of the analyzed diatom literature incorporated molecular data, about half compared to other groups, including other algae, cyanobacteria, plants, fungi, and animals. Interestingly, research for all groups seems to asymptotically saturate with molecular methods once they are used in about one-third of the documents annually, an observation which has important implications. In addition, past trends in the use of molecular data in diatomology were explored and some future ones were predicted. Biology ; Taxon ; Diatom ; Evolutionary biology ; Ecology Diatoms and Algae Research ; Microbial Community Ecology and Physiology ; Aquatic Ecosystems and Phytoplankton Dynamics
Authors: Rodger Benjamín Salazar Loor | Javier Martínez-Gómez | Josencka Sarmiento Anchundia
Source: Processes (article, 2025-06-05)
Field: Materials Science — Materials Chemistry

Material Selection for the Development of Orthoses Using Multicriteria Methods (MCDMs) and Simulation Low-energy bone fractures refer to injuries that occur from minimal trauma or impact. These fractures are often a result of activities, such as falls from standing height or minor accidents, where the force exerted on the bone is insufficient to cause a break under normal conditions. To design an effective orthotic splint, it is critical to select the appropriate material that mimics the mechanical properties of traditional materials like plaster, which has long been used for immobilization purposes. In this case, Ansys CES Edupack 2025 software was utilized to evaluate and identify materials with mechanical characteristics similar to those of plaster. The software provided a list of six materials that met these criteria, but selecting the most suitable material involved more than just mechanical properties. Three different multicriteria decision-making methods were employed to ensure the best choice: TOPSIS, VIKOR, and COPRAS. These methods were applied to consider various factors, such as strength, flexibility, weight, cost, and ease of manufacturing. The results of the analyses revealed a strong consensus across all three methods. Each approach identified PLA (Polylactic Acid) as the most appropriate material for the orthotic design. Following the material selection process, simulations were conducted to assess the structural performance of the orthotic splint. The results determined that the minimum thickness required for the PLA orthosis was 4 mm, ensuring that it met all necessary criteria for acceptable stresses and deformations during the four primary movements exerted by the wrist. This thickness was sufficient to maintain the orthosis’s functionality without compromising comfort or effectiveness. Moreover, a significant improvement in the design was achieved through topological optimization, where the mass of the preliminary design was reduced by 9.58%, demonstrating an efficient use of material while maintaining structural integrity. Selection (genetic algorithm) ; Computer science ; Development (topology) ; Biochemical engineering ; Engineering ; Mathematics ; Machine learning Material Selection and Properties ; Ergonomics and Human Factors ; Innovations in Concrete and Construction Materials