jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Marek Florkowski
Source: Discover Electronics (article, 2025-07-19)
Field: Materials Science — Materials Chemistry

Collection: Instrumentation and measurement techniques for high voltage applications–Partial discharge echo measurement approach for high voltage insulation assessment Abstract In this article, an original measurement methodology and detection approach, called partial discharge echo (PDE), applied to the electrical insulation systems of high voltage (HV) power devices is presented. This novel methodology and instrumentation extend the conventional partial discharge measurement approach, perceived as one of the crucial indicators of HV electrical insulation integrity. The application areas refer to electrical insulation in power grids, industrial network devices, and electrification in emerging transportation sectors such as electric vehicles, high-speed rail, propulsion in maritime vehicles, or more electric aircrafts. The experiments were carried out on the model specimens representing both a defect in HV polymeric power cable insulation and degradation of the motor winding insulation. The assessment was focused on PD echo characteristics, such as the echo decay time constant, duration of the echo cluster, inception level during base excitation and in echo period, and the charge magnitude attributes. Applying an analytical approach, the echo decay time constant was extracted from the PD phase-resolved patterns. A comparison of PD echo attributes in new and aged specimens revealed a clear dependence of the echo pattern on the condition of the dielectric surface. It was found in the research that, in the case of polyethylene specimen, the main PD echo attribute represented by the extracted decay time constant was reduced from 10.42 ms for the untreated sample to 1.04 ms for the electrically deteriorated sample. Simultaneously, the ratio of the echo peak magnitude to PD charge absolute magnitude has increased from 0.44 to 0.59 for the new and electrically aged specimen, respectively. In the case of twisted-pair motor winding insulation, the calculated PD echo decay time constant was 33.0 ms for new specimen and 6.1 ms for thermally deteriorated specimen. The PDE magnitude parameter yielded values of 0.18 and 0.19 in the above experiment. A reduction in the PD echo inception voltage from 1.4 kV to 1.2 kV was also observed. PDE is a non-invasive technique that may provide additional insight into the insulation surface conditions and charge-transport effects, offering new diagnostic attributes that expand the assessment of insulation conditions that are not possible by conventional PD measurements. Partial discharge ; Echo (communications protocol) ; Voltage ; Materials science ; Instrumentation (computer programming) ; High voltage ; Electrical engineering ; Dielectric ; Power (physics) ; Acoustics ; Engineering ; Computer science ; Physics ; Optoelectronics High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Electrical Fault Detection and Protection
Authors: Mahfud Ibadi | Sugeng Supriadi | Herry Purnomo | Muhamad Hananuputra Setianto | Heri Budi Wibowo | Yudan Whulanza
Source: Science of Sintering (article, 2025-01-01)
Field: Materials Science — Ceramics and Composites

Challenges and innovative solutions in fabrication of ceramic matrix composite for ultra high-temperature application Ceramic Matrix Composites (CMCs) are transformational materials with outstanding thermal stability, mechanical strength, and resilience to severe conditions, making them important in aerospace, energy, and defence applications. This paper examines the novel approaches and problems of creating CMCs for ultra-high-temperature settings, emphasizing material selection, reinforcing strategies, and advanced production techniques. Recent improvements include using silicon carbide (SiC) and zirconium oxide (ZrO?) as matrix materials and reinforcements, such as continuous fibers and whiskers, to improve performance. Advanced processing methods, such as Polymer Infiltration Pyrolysis (PIP) and Chemical Vapor Infiltration (CVI), provide precise microstructure customization for high-demand applications. Despite these gains, challenges such as oxidation resistance, surface degradation, and cost-effective scaling persist. Integrating non-destructive evaluation techniques and adhering to high-quality standards is essential for boosting reliability. This review emphasizes the promise of CMCs in satisfying critical technological objectives while underlining the need for continuous research into processing advancements and environmental durability to enhance their application in ultra-high-temperature sectors. Fabrication ; Materials science ; Composite number ; Ceramic ; Ceramic matrix composite ; Matrix (chemical analysis) ; Composite material ; Ceramic composite ; Mechanical engineering ; Engineering Advanced ceramic materials synthesis ; Additive Manufacturing and 3D Printing Technologies ; Aluminum Alloys Composites Properties
Authors: Mehdi Dehghani | Hadi Zare‐Zardini | Hossein Eslami | Mojtaba Ansari | Farzaneh Fesahat
Source: Scientific Reports (article, 2025-09-29)
Field: Materials Science — Biomaterials

Anticancer efficacy of albumin nanoparticles co-loaded with silver nanoparticles and 5FU in animal model of colon cancer Colorectal cancer (CRC) remains a major challenge to global health and chemotherapy, while effective, often suffers from non-specificity, limited efficacy and severe side effects. 5-Fluorouracil (5FU), a cornerstone of chemotherapy for colorectal cancer, has a short half-life and systemic toxicity. Targeted delivery systems are crucial to overcome these limitations. The aim of this study was to develop and evaluate albumin nanoparticles (ANPs) co-loaded with green-synthesized silver nanoparticles (AgNPs) and 5FU (Ag-5FU-ANPs) as a potential strategy to improve chemotherapeutic efficacy and reduce toxicity in the treatment of colorectal cancer. The AgNPs were synthesized from a green tea extract, characterized (UV-Vis, TEM/SEM, DLS) and showed a spherical morphology with an average size of 89.9 nm. Four nanoparticle formulations (ANP, Ag-ANP, 5FU-ANP, Ag-5FU-ANP) were prepared using a solvent displacement method. Characterization revealed successful encapsulation efficiency (EE) (%EE > 70-80% efficiency) and controlled release kinetics (according to the Higuchi model, > 90% release in 3 days). In vitro studies in normal human fibroblast cells (HFF) showed acceptable cytotoxicity for Ag-5FU-ANP compared to free agents, with minimal hemolysis. In a 21-day colon cancer model using Wistar rats with CT26-induced tumors, intravenous administration of Ag-5FU-ANP showed the most significant anticancer effect, reducing tumor size and tumor weight compared to other groups. Histopathological analysis confirmed increased apoptosis and decreased necrosis in the Ag-5FU-ANP group. However, while the combination therapies showed increased renal toxicity compared to ANP, Ag-5FU-ANP showed less severe hematological toxicity (anemia, leukocytosis) than 5FU monotherapy. The blood analysis confirmed these results. These results suggest that Ag-5FU-ANPs represent a promising dual drug delivery system for colorectal cancer, improving therapeutic outcomes through better localization of the drug and potential exploitation of the anti-cancer properties of AgNPs, while mitigating some systemic side effects associated with 5FU monotherapy through controlled release. Further optimization is required to balance efficacy and toxicity for potential clinical application. Toxicity ; Colorectal cancer ; Cytotoxicity ; Apoptosis ; Albumin ; In vivo ; Drug delivery ; Chemotherapy ; Drug Nanoparticle-Based Drug Delivery ; Nanoparticles: synthesis and applications ; Curcumin's Biomedical Applications
Authors: Jing Lan | Hao Fu | Haibin Qu | Xingchu Gong
Source: Pharmaceuticals (article, 2025-10-16)
Field: Chemistry — Analytical Chemistry

Energy Conservation and Production Efficiency Enhancement in Herbal Medicine Extraction: Self-Adaptive Decision-Making Boiling Judgment via Acoustic Emission Technology <b>Background:</b> Accurately detecting the onset of saturated boiling in herbal medicine extraction processes is critical for improving production efficiency and reducing energy consumption. However, the traditional monitoring methods based on temperature suffer from time delays. To address the challenge, acoustic emission (AE) signals were used in this study owing to its sensitivity to bubble behavior. <b>Methods:</b> An AE signal acquisition system was constructed for herbal extraction monitoring. Characteristics of AE signals at different boiling stages were analyzed in pure water systems with and without herbs. The performance of AE-based and temperature-based recognition of boiling stages was compared. To enhance applicability in different herb extraction systems, multivariate statistical analysis was adopted to compress spectral-frequency information into Hotelling's T<sup>2</sup> and SPE statistics. For real-time monitoring, a self-adaptive decision-making boiling judgment method (BoilStart) was proposed. To evaluate the robustness, the performance of BoilStart under different conditions was investigated, including extraction system mass and heating medium temperature. Furthermore, BoilStart was applied to a lab-scale extraction process of Dabuyin Wan, which is a practical formulation, to assess its performance in energy conservation and efficiency improvement. <b>Results:</b> AE signal in the 75-100 kHz frequency band could reflect the boiling states of herbal medicine extraction. It was more sensitive to the onset of saturated boiling than the temperature signal. Compared with SPE, Hotelling's T<sup>2</sup> was identified as the optimal indicator with higher accuracy. BoilStart could adaptively monitor saturated boiling across diverse herbal systems. The absolute error of BoilStart's boiling determination ranged from 1.5 min to 2.0 min. The increasing-temperature time was reduced by about 22-36%. For the extraction process of Dabuyin Wan, after adopting BoilStart, the increasing-temperature time was reduced by about 29%, and the corresponding energy consumption was lowered by about 26%. <b>Conclusions:</b> The first AE-based method for precise boiling state detection in herbal extraction was established. BoilStart's model-free adaptability met industrial demands for multi-herb compatibility. This offered a practical solution to shorten ineffective heating phases and reduce energy consumption. Boiling ; Extraction (chemistry) ; Acoustic emission ; Energy (signal processing) ; SIGNAL (programming language) ; Production (economics) ; Approximation error Spectroscopy and Chemometric Analyses
Authors: Ahmet Harmankaya | Hilal Medetalibeyoğlu | Abdurrahman Atalay | Ahmet Buğra Ortaakarsu | Sevda Manap | Ebru Koca | Çiğdem Yıldız | Nejdet Köçek | Haydar Yüksek
Source: Structural Chemistry (article, 2025-09-23)
Field: Chemistry — Organic Chemistry

Synthesis, spectroscopic characterization, and multiscale computational ınvestigation of a novel 1,2,4-triazole derivative targeting AChE, BChE, and COX enzymes Hyperpolarizability ; Molecular dynamics ; Pharmacophore ; Molecular orbital ; Docking (animal) ; Stacking ; Electrophile ; Ionization energy ; Acetylcholinesterase Synthesis and Biological Evaluation ; Enzyme function and inhibition ; Chemical Reactions and Mechanisms
Authors: Deepika Aggarwal | kamal kamal | Manjusha Choudhary
Source: International Journal of Environmental Sciences (article, 2025-06-18)
Field: Materials Science — Materials Chemistry

Recent Updates On Green Synthesized Silver Nanoparticles: Preparation Technologies, Properties, And Applications In Biomedical Sector Nanotechnology is attracting significant interest as a novel research domain focused on the production of nanomaterials for applications across several sectors. Green-synthesized AgNPs are the most environmentally benign and sustainable choice, and their nanoscale size and exceptional capacity to alter physical, chemical, and biological characteristics have made them very popular. Amongst the diverse forms of nanoparticles, green synthesizedAgNPs have become prominent as the most prevalent and extensively employed owing to their remarkable qualities. The implementation of plant-derived materials reductants enhances the attractiveness of silver nanoparticle manufacturing. This review highlights the various therapeutic properties of AgNPsproduced through plant-mediated methods. Furthermore, an effort is undertaken to present a clarified description of the operational processes that govern the pharmacological effects of green AgNPs. This manuscript comprehensively covers the preparation technology, significance of green synthesis with characterization techniques used for evaluation and broadly describes antibacterial qualities, wound healing, anticancer, antioxidant potential, and tissue engineering with regulatory challenges Nanotechnology ; Silver nanoparticle ; Nanoparticle ; Materials science Nanoparticles: synthesis and applications
Authors: Yuan‐Chao Hu | Hajime Tanaka
Source: Nature Communications (article, 2025-06-17)
Field: Materials Science — Ceramics and Composites

Unveiling hidden particle-level defects in glasses In crystals, defects are well-defined and crucial to their mechanical properties. In contrast, the structural disorder in glasses makes it challenging to directly identify defects at the particle level. However, low-frequency quasi-localised modes (QLMs) in glasses provide valuable insights, acting as mechanical defects associated with shear transformation zones and soft spots. Using molecular dynamics simulations of two-dimensional glasses, we identify a particle-level defect responsible for generating QLMs. The primary QLM originates from a "key-core" square of four particles vibrating in a two-in, two-out pattern, interpretable as a microscopic Eshelby inclusion. The motion of these particles induces nearby volumetric and far-field shear deformations, forming a characteristic four-leaf pattern. Despite the structural isotropy of the glass, these QLMs introduce notable mechanical anisotropy, particularly in nano-sized glasses. Crucially, pinning the key-core particles dramatically reduces shear modulus anisotropy, confirming their role as "localised particle-level defects." This discovery deepens our understanding of glass defects and offers valuable insights for nanoscale glass applications. Particle (ecology) ; Computer science ; Biology Glass properties and applications ; Material Dynamics and Properties ; Geological and Geochemical Analysis
Authors: Bing Yan | Angelica Chen | Kyunghyun Cho
Source: Digital Discovery (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Inconsistency of LLMs in molecular representations We examine whether LLMs capture the underlying chemistry beyond symbolic representations by evaluating task consistency when using SMILES strings vs. IUPAC names as inputs. Representation (politics) ; Chemistry ; Cognitive science ; Epistemology ; Computer science ; Psychology ; Political science ; Philosophy Machine Learning in Materials Science ; Biomedical Text Mining and Ontologies ; Topic Modeling
Authors: Jia Yuan Chng | David S. Sholl
Source: The Journal of Physical Chemistry C (article, 2025-09-04)
Field: Chemistry — Inorganic Chemistry

Equilibrium Separation of Siloxanes in Metal–Organic Frameworks We present an <i>in silico</i> assessment of metal-organic frameworks (MOFs) for the equilibrium separation of linear and cyclic siloxanes. Using a combination of configurational bias/continuous fractional component Monte Carlo (CB/CFCMC) simulations and Ideal Adsorbed Solution Theory (IAST), we investigated the adsorption of both equimolar and nonequimolar mixtures of linear and cyclic siloxanes in a selection of synthesizable MOFs with medium to large pore volumes. We showed that configurational entropy effects drive the preferential adsorption of linear siloxanes over cyclic siloxanes. Based on synthesizability metrics we identified ZIF-70 as a promising adsorbent for the separation of linear and cyclic siloxanes. Self-diffusivities of linear and cyclic siloxanes in ZIF-70 calculated from molecular dynamics simulations show that equilibrium can be reached on reasonable time scales. We explored vacuum-temperature swing adsorption (VTSA) as a potential method for the recovery of adsorbed linear siloxanes from ZIF-70, achieving a 75% reduction in adsorbed phase concentration. Additionally, we demonstrated that supercritical CO<sub>2</sub> offers an alternative desorption strategy by displacing adsorbed linear siloxanes in ZIF-70 at pressures above 200 bar driven by entropy effects. Separation (statistics) ; Metal-organic framework ; Metal ; Materials science ; Chemistry ; Polymer science ; Organic chemistry ; Metallurgy ; Computer science ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Adsorption and biosorption for pollutant removal ; Analytical chemistry methods development
Authors: Monika Wiśnik-Sawka | Wojciech Fabianowski | Dorota Gajda
Source: Materials (article, 2025-01-10)
Field: Chemistry — Spectroscopy

Innovative Supported Membranes for Ion Mobility Spectrometer (IMS) Sample Introduction Systems with High Permeability Relative to Toxic Agents in Air (TAAs) One of the main objectives of the ion mobility spectrometry (IMS) technique is to reduce moisture in detection systems, which causes the formation of ion clusters and ion water and a reduction in formed clusters' activity. Thus, one of the methods limiting moisture in a sampling injection system is to use hydrophobic polymeric membranes. The use of membranes with high permeability relative to the analysed organic compounds is required, including toxic agents in air (TAAs). Such requirements align with those of polydimethylsiloxane (PDMS) membranes. Unfortunately, thin PDMS membranes are not mechanically resistant. In this study, relatively thin PDMS membranes were reinforced with fine mesh fabric supports. These supports were chemically modified with selected oligoglycol derivatives and finally coated with PDMS. The obtained membranes were tested for water permeability and TAA simulants. Membrane ; Ion ; Ion-mobility spectrometry ; Sample (material) ; Spectrometer ; Materials science ; Chemistry ; Analytical Chemistry (journal) ; Chemical engineering ; Chromatography ; Engineering ; Organic chemistry ; Physics Analytical Chemistry and Chromatography ; Analytical Chemistry and Sensors ; Mass Spectrometry Techniques and Applications
Authors: Antonio Tiralosi | Maria Teresa Cambria | M. Campanella | Vincenzo Paratore | Cristina Russo | Lucia Malaguarnera | Maria Stella Valle
Source: International Journal of Molecular Sciences (review, 2025-08-19)
Field: Chemistry — Inorganic Chemistry

Nanomaterials in COPD: Emerging Therapeutic and Diagnostic Frontiers with a Focus on Metal–Organic Frameworks Chronic obstructive pulmonary disease (COPD) is one of the leading causes of morbidity and mortality worldwide. Although conventional therapies are effective in controlling symptoms, they remain limited in altering the course of the disease and significantly reducing the chronic inflammation and oxidative stress underlying it. In this context, nanoparticles and nanomaterials are emerging as innovative tools capable of overcoming traditional pharmacological barriers due to their ability to deliver therapeutic oligonucleotides, antioxidants, and drugs in a targeted manner, modulate immune responses, and improve the bioavailability of active compounds. In particular, metal-organic frameworks (MOFs) stand out as ideal candidates for inhalable drug delivery in COPD, owing to their permanent crystalline porous structure, high specific surface area, and versatile chemical functionalization. This review provides the most recent preclinical evidence on the use of different nanoparticles in COPD, with a focus on the therapeutic and diagnostic potential of MOFs. It discusses their biocompatibility, drug loading strategies, and controlled release mechanisms and explores future perspectives for clinical translation. COPD ; Focus (optics) ; Metal-organic framework ; Nanotechnology ; Nanomaterials ; Medicine ; Materials science ; Chemistry ; Internal medicine ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Inhalation and Respiratory Drug Delivery ; Gas Sensing Nanomaterials and Sensors
Authors: Eva Kogler | Mihir Ranjan Sahoo | Chia‐Nien Tsai | Fabian Jöbstl | Roman Lucrezi | Peter I. C. Cooke | Birgit Kunert | Roland Resel | Chris J. Pickard | Matthew Julian | Rohit P. Prasankumar | Mahmoud I. Hussein | Christoph Heil
Source: Communications Materials (article, 2025-11-21)
Field: Materials Science — Materials Chemistry

Vacancy-free cubic superconducting NbN enabled by quantum anharmonicity Abstract Niobium nitride is renowned for its exceptional mechanical, electronic, magnetic, and superconducting properties. The ideal 1:1 stoichiometric δ -NbN cubic phase, however, is known to be dynamically unstable, and repeated experimental observations have indicated that vacancies are necessary for its stabilization. In this work, we demonstrate that when the structure is fully relaxed and allowed to distort under quantum anharmonic effects, a stable cubic phase with space group $$P\bar{4}3m$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mi>P</mml:mi> <mml:mover> <mml:mrow> <mml:mn>4</mml:mn> </mml:mrow> <mml:mo>¯</mml:mo> </mml:mover> <mml:mn>3</mml:mn> <mml:mi>m</mml:mi> </mml:math> emerges — 65 meV/atom lower in free energy than the δ phase. This discovery is enabled by state-of-the-art first-principles calculations accelerated by machine-learned interatomic potentials. To evaluate the vibrational properties with quantum anharmonic effects accounted for, we use the stochastic self-consistent harmonic approximation and molecular dynamics spectral energy density methods. Electron-phonon coupling calculations based on the anharmonic phonon dispersion yield a superconducting transition temperature of 20 K, which aligns with experimentally reported values for near-stoichiometric NbN. These findings challenge the long-held assumption that vacancies are essential for stabilizing cubic NbN and point to the potential of synthesizing the ideal 1:1 stoichiometric phase as a route to achieving enhanced superconducting performance in this technologically significant material. Anharmonicity ; Superconductivity ; Phonon ; Niobium nitride ; Coupling (piping) ; Phase (matter) ; Quantum ; Niobium Boron and Carbon Nanomaterials Research ; Inorganic Chemistry and Materials ; Metal and Thin Film Mechanics