jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Paul Bruyère | Éric Vagnon | Yvan Avenas
Source: Energies (article, 2024-04-25)
Field: Materials Science — Materials Chemistry

Field Plate Integration for Mitigating Partial Discharge Activity in PCB-Embedded Power Electronic Modules This paper proposes a concept based on field plate (FP) integration inside printed circuit board (PCB)-embedded power modules. The goal is to reduce the electric field at their surface and thus increase the partial discharge inception voltage (PDIV). Electrostatic simulations are first carried out to analyze the electric field reduction induced by the use of FPs. Then, dedicated experiments are proposed to demonstrate that the actual PDIV increases in AC sinus 50 Hz when FPs are implemented. More specifically, it is observed that an optimal FP length exists. Several analyses based on simulations and experiments are thus proposed to explain this phenomenon. Finally, an assessment of PD activity and PD location is presented to support the analysis. AC sinus 50 Hz characterizations indicate that PDIV can be increased by 178% compared to PCBs without FPs with a proper definition of equipotential prolongation and PCB length. Equipotential ; Printed circuit board ; Partial discharge ; Electric field ; Electrical engineering ; Power (physics) ; Field (mathematics) ; Voltage ; Electronic engineering ; Engineering ; Computer science ; Materials science ; Physics ; Mathematics High voltage insulation and dielectric phenomena ; Electromagnetic Compatibility and Noise Suppression ; Electrostatic Discharge in Electronics
Authors: Nina Bergman | Jonas Bergquist | Mikael Hedeland | Magnus Palmblad
Source: Journal of the American Society for Mass Spectrometry (article, 2024-09-23)
Field: Chemistry — Spectroscopy

Text Mining and Computational Chemistry Reveal Trends in Applications of Laser Desorption/Ionization Techniques to Small Molecules Continued development of laser desorption/ionization (LDI) since its inception in the 1960s has produced an explosion of soft ionization techniques, where ionization is assisted by the physical or chemical properties of a structure or matrix. While many of these techniques have primarily been used to ionize large biomolecules, including proteins, some have recently seen increasing applications to small molecules such as pharmaceuticals. Small molecules pose particular challenges for LDI techniques, including interference from the matrix or support in the low mass range. To investigate trends in the application of soft LDI techniques to small molecules, we combined text mining and computational chemistry, looking specifically at matrix substances, analyte properties, and the research domain. In addition to making visible the history of LDI techniques, the results may inform the choice of method and suggest new avenues of method development. All software and collected data are freely available on GitHub (https://github.com/ReinV/SCOPE), VOSviewer (https://www.vosviewer.com), and OSF (https://osf.io/zkmua/). Chemistry ; Ionization ; Small molecule ; Molecule ; Computational chemistry ; Chemical physics ; Nanotechnology ; Organic chemistry ; Ion Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies ; Analytical Chemistry and Chromatography
Authors: Yingli Liu | Shaojie Wen | Jiancheng Yin | Haihe Zhou
Source: Journal of Materials Science (article, 2024-08-01)
Field: Materials Science — Materials Chemistry

ASaRE-Net: automatic information extraction from Al-Si alloy materials science literature for corpus construction Computer science ; Sentence ; Information extraction ; Alloy ; Knowledge graph ; Graph ; Representation (politics) ; Knowledge extraction ; Natural language processing ; Artificial intelligence ; Information retrieval ; Data mining ; Theoretical computer science ; Materials science Machine Learning in Materials Science ; Hydrogen embrittlement and corrosion behaviors in metals ; Corrosion Behavior and Inhibition
Authors: Na Qin | Wei Lai | Haibiao Chen
Source: SSRN Electronic Journal (preprint, 2024-01-01)
Field: Materials Science — Materials Chemistry

Insights into the Development of Electrocatalysts Based on Information Extracted from Literatures Using Natural Language Processing Natural (archaeology) ; Computer science ; Natural language processing ; Nanotechnology ; Materials science ; Geography Machine Learning in Materials Science ; Topic Modeling ; Electrocatalysts for Energy Conversion
Authors: Xiaochao Wang | Wanli Zhang | Wenxu Zhang
Source: Journal of Chemical Information and Modeling (article, 2024-07-23)
Field: Materials Science — Materials Chemistry

Dielectric Ceramics Database Automatically Constructed by Data Mining in the Literature Vast published dielectric ceramics literature is a natural database for big-data analysis, discovering structure-property relationships, and property prediction. We constructed a data-mining pipeline based on natural language processing (NLP) to extract property information from about 12,900 published dielectric ceramics articles and normalized more than 20 properties. The micro-F1 scores for sentence classification, named entities recognition, relation extraction (related), and relation extraction (same), are 91.6, 82.4, 91.4, and 88.3%, respectively. We demonstrated the distribution of some essential properties according to the publication years to reveal the tendency. In order to test the reliability of the data extraction, we trained an XGBoost model to predict the dielectric constant and used the SHAP module to interpret the contribution of each feature in order to identify some of the factors that determine the dielectric properties. The result shows that including <i>Q</i> × <i>f</i> in the model can increase the dielectric constant prediction accuracy. Our work can give some hints to experimentalists on their way to improve the performances of cutting-edge materials. Dielectric ; Database ; Ceramic ; Computer science ; Data mining ; Information retrieval ; Data science ; Materials science ; Metallurgy ; Optoelectronics Ferroelectric and Piezoelectric Materials ; Multiferroics and related materials ; Microwave Dielectric Ceramics Synthesis
Authors: Katarzyna Macur | Anna Roszkowska | Paulina Czaplewska | Natalia Miękus | Ilona Klejbor | Janusz Moryś | Tomasz Bączek
Source: PROTEOMICS - CLINICAL APPLICATIONS (article, 2024-08-28)
Field: Chemistry — Spectroscopy

Pressure Cycling Technology Combined With MicroLC‐SWATH Mass Spectrometry for the Analysis of Sex‐Related Differences Between Male and Female Cerebella: A Promising Approach to Investigating Proteomics Differences in Psychiatric and Neurodegenerative Diseases Although this study utilizes a small sample, our results indicate that the studied male and female mice cerebella possessed differing proteome compositions, mainly with respect to energy metabolism processes. Cycling ; Proteomics ; Mass spectrometry ; Psychology ; Medicine ; Computational biology ; Biology ; Chemistry ; Chromatography ; Genetics ; Geography Advanced Proteomics Techniques and Applications ; Genetic Neurodegenerative Diseases ; Adipose Tissue and Metabolism
Authors: Jinzhao Yang | Jie Chen | Qing-qing Li | Ren‐ai Xu | Xiaohai Chen
Source: Frontiers in Pharmacology (article, 2024-08-20)
Field: Chemistry — Organic Chemistry

Effects of three flavonoids on the metabolism of lenvatinib Lenvatinib is a first-line therapy for the treatment of hepatocellular carcinoma (HCC), an active multi-target tyrosine kinase inhibitor (TKI). The interaction between Traditional Chinese Medicine (TCM) and chemicals has increasingly become a research hotspot. The objective of this study was to pinpoint the effects of three flavonoids on the metabolism of lenvatinib. Enzyme reaction system was established and optimized <i>in vitro</i>, and <i>in vivo</i> experiments were conducted in Sprague-Dawley (SD) rats, where the analytes were detected by ultra performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS). We found that among three flavonoids, luteolin and myricetin had strong inhibitory effects on lenvatinib metabolism, with half-maximal inhibitory concentration (IC<sub>50</sub>) values of 11.36 ± 0.46 µM and 11.21 ± 0.81 µM in rat liver microsomes (RLM), respectively, and 6.89 ± 0.43 µM and 12.32 ± 1.21 µM in human liver microsomes (HLM), respectively. In Sprague-Dawley rats, the combined administration of lenvatinib and luteolin obviously expanded the exposure to lenvatinib; however, co-administered with myricetin did not have any changes, which may be due to the poor bioavailability of myricetin <i>in vivo</i>. Furthermore, the inhibitory type of luteolin on lenvatinib showed an un-competitive in RLM and a mixed in HLM. Collectively, flavonoids with liver protection, especially luteolin, may inhibit lenvatinib metabolism <i>in vitro</i> and <i>in vivo</i>. Lenvatinib ; Pharmacology ; Chemistry ; Traditional medicine ; Medicine ; Internal medicine ; Hepatocellular carcinoma Synthesis and biological activity ; Cancer Mechanisms and Therapy ; Colorectal Cancer Treatments and Studies
Authors: Meiyu Zhou | Huilin Zhang | Qi Xiao | Kexin Li | Xiaoting Li | Haiyan Chu
Source: China CDC Weekly (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Potential Adverse Outcome Pathways of Chlorinated Organophosphate Flame Retardants These results enhance knowledge of the health hazards linked to Cl-OPFRs, supporting the creation of focused risk evaluations and suitable regulatory actions. Adverse Outcome Pathway ; Organophosphate ; Medicine ; Adverse effect ; Pharmacology ; Pesticide ; Computational biology ; Biology Flame retardant materials and properties ; Pesticide Exposure and Toxicity ; Vanadium and Halogenation Chemistry
Authors: Mizuki Fukasawa | Tomokazu Fukuda | Takuya Akashi
Source: arXiv (Cornell University) (preprint, 2024-02-27)
Field: Chemistry — Organic Chemistry

Method of Tracking and Analysis of Fluorescent-Labeled Cells Using Automatic Thresholding and Labeling High-throughput screening using cell images is an efficient method for screening new candidates for pharmaceutical drugs. To complete the screening process, it is essential to have an efficient process for analyzing cell images. This paper presents a new method for efficiently tracking cells and quantitatively detecting the signal ratio between cytoplasm and nuclei. Existing methods include those that use image processing techniques and those that utilize artificial intelligence (AI). However, these methods do not consider the correspondence of cells between images, or require a significant amount of new learning data to train AI. Therefore, our method uses automatic thresholding and labeling algorithms to compare the position of each cell between images, and continuously measure and analyze the signal ratio of cells. This paper describes the algorithm of our method. Using the method, we experimented to investigate the effect of the number of opening and closing operations during the binarization process on the tracking of the cells. Through the experiment, we determined the appropriate number of opening and closing processes. Thresholding ; Fluorescence ; Tracking (education) ; Artificial intelligence ; Fluorescent labelling ; Computer science ; Computer vision ; Pattern recognition (psychology) ; Physics ; Image (mathematics) ; Psychology ; Optics Click Chemistry and Applications ; Advanced Biosensing Techniques and Applications
Authors: Serik Akhmediev | Т. С. Филиппова | Gulzhaukhar ORYNTAYEVA | Gulzada Tazhenova
Source: Material and Mechanical Engineering Technology (article, 2024-12-26)
Field: Materials Science — Materials Chemistry

Strength Calculation of Variable Bending Rigidity Rods in the Presence of Initial Cambers along Their Axes The paper studies the stress-strain state of a rod with variable bending rigidity, compressed by an axial concentrated force in the presence of initial deflections along its axis. The initial differential equation of longitudinal bending is solved by the numerical finite difference method with the number of divisions along the axis equal to eight. Two problems are solved simultaneously: bending strength and stability under central compression. The calculated deflection diagrams are given depending on the change in the axial load value, taken as a fraction of the critical force, as well as depending on the conditions of fixing the ends of the rod. The results of the study are the formation of 7th order resolution matrices for the numerical calculation of longitudinal-transverse bending of the rod. Critical forces for various boundary conditions at the ends of the rod, and the values of the resulting deflections are determined. Boundary value problem ; Rod ; Deflection (physics) ; Critical load ; Bending ; Differential equation ; Pure bending ; Bending of plates ; Numerical analysis Structural mechanics and materials ; Heat Transfer and Mathematical Modeling ; Composite Structure Analysis and Optimization
Authors: Kam C. Poon | Maddison I. Segal | Alexander J. Bahnick | Yin Mei Chan | Chang Gao | Matthew L. Becker | Charlotte K. Williams
Source: Angewandte Chemie (article, 2024-06-19)
Field: Chemistry — Organic Chemistry

Digital Light Processing to Afford High Resolution and Degradable CO<sub>2</sub>‐Derived Copolymer Elastomers Abstract Vat photopolymerization 3D printing has proven very successful for the rapid additive manufacturing (AM) of polymeric parts at high resolution. However, the range of materials that can be printed and their resulting properties remains narrow. Herein, we report the successful AM of a series of poly(carbonate‐ b ‐ester‐ b ‐carbonate) elastomers, derived from carbon dioxide and bio‐derived ϵ‐decalactone. By employing a highly active and selective Co(II)Mg(II) polymerization catalyst, an ABA triblock copolymer ( M n =6.3 kg mol −1 , Ð M =1.26) was synthesized, formulated into resins which were 3D printed using digital light processing (DLP) and a thiol‐ene‐based crosslinking system. A series of elastomeric and degradable thermosets were produced, with varying thiol cross‐linker length and poly(ethylene glycol) content, to produce complex triply periodic geometries at high resolution. Thermomechanical characterization of the materials reveals printing‐induced microphase separation and tunable hydrophilicity. These findings highlight how utilizing DLP can produce sustainable materials from low molar mass polyols quickly and at high resolution. The 3D printing of these functional materials may help to expedite the production of sustainable plastics and elastomers with potential to replace conventional petrochemical‐based options. Copolymer ; Elastomer ; Materials science ; High resolution ; Polymer science ; Polymer chemistry ; Polymer ; Composite material Advanced Polymer Synthesis and Characterization ; Photopolymerization techniques and applications ; Polymer composites and self-healing
Authors: Sanghu Chun | Yong-Jai Park
Source: International Journal of Precision Engineering and Manufacturing (article, 2024-12-04)
Field: Materials Science — Polymers and Plastics

Air-Able: Fabrication and Experiments of Effervescent Fabric Chamber Inflation with Various Shape of Structures and Wearables Abstract A rigid system can support a huge amount of matter, but when it comes to human matter, although it can be served as a frame, or mechanism, etc., it only provides “rigid” solutions. Since the human body is made of curved surfaces that are challenging to track and adapt, “softer” methods should be applied. Herein, Air-able; an inflatable system based on variable stiffness methods is proposed. Air-able is inspired by research on inflatable structures with an air chamber. Previous research has shown the potential for various chamber shapes, demonstrating that even a chamber filled with air can withstand a certain level of weight, though not as much as a rigid system can. Since Air-able uses a fabric air chamber, it can be fabricated into many types of chambers, such as support structures and improvised splints due to the variety of fabrics and their combinations. It is also designed to minimize application areas so the pressure inside can effectively concentrate. This study suggests one more issue: tethering. When a system is tethered with electrical codes, or pipelines that deliver power, its movement or range of motion is limited. From past studies, air chambers are very light because they are made of materials like plastics and fabrics. The problem is; however, most chambers are tethered to a pump system applying pressure inside. The pump system produces higher pressure, so it helps increase the stiffness of air chambers, at the same time it makes chambers dependent on it. In this study, an effervescent effect is used to inflate Air-able chambers. Effervescence via the reaction of citric acid and sodium bicarbonate forms gas bubbles of carbon dioxide and makes inflation of the chamber. And small amounts of water can accelerate reactions. To secure the usability of Air-able, those effervescent reactants are made into a tablet form including extra compounds which aid manufacturing process. Furthermore, a wearable interface is devised so the user can recharge and control Air-able; integration of fabric air chamber and effervescent tablet reaction using water. Air-able is light, untethered, and rechargeable air chamber inflation methods only produce carbonated water as byproduct. Future studies will focus on improving its design and performance. Fabrication ; Wearable computer ; Materials science ; Inflation (cosmology) ; Nanotechnology ; Mechanical engineering ; Composite material ; Engineering ; Physics ; Medicine ; Embedded system ; Theoretical physics Textile materials and evaluations ; Additive Manufacturing and 3D Printing Technologies ; Innovations in Concrete and Construction Materials
Authors: Izzatunnisa Azzahra | Chusnana Insjaf Yogihati | Alma Nur Roisatul Masruhah | Reza Akbar Pahlevi | Markus Diantoro
Source: E3S Web of Conferences (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Synthesis of SnO<sub>2</sub> for Thermoelectric Applications Using the Hydrothermal, Co-precipitation, and Co-Precipitation Sonication Methods Tin oxide (SnO 2 ) holds promise in thermoelectric applications. The paper explores the preparation of SnO 2 nanoparticles by employing various methods. Synthesis of SnO 2 material is carried out using a comparison of several methods, including the hydrothermal method, co-precipitation method, and co- precipitation sonication. This comparison aims to identify the most efficient method for SnO 2 synthesis with the best performance in thermoelectric applications. Characterization techniques such as SEM-EDX, XRD, and thermoelectric properties, electrical resistivity, electrical conductivity were utilized. Results obtained in the thermoelectric performance test, specifically electrical resistivity and electrical conductivity, showed a decrease in resistivity with increasing temperature for all three methods. In the hydrothermal method, excessively high temperatures led to difficulties in accurately measuring electrical resistivity. The co- precipitation method proved to be the most effective for SnO 2 synthesis. Electrical resistivity and conductivity ; Materials science ; Thermoelectric effect ; Hydrothermal circulation ; Precipitation ; Sonication ; Tin oxide ; Thermoelectric materials ; Chemical engineering ; Hydrothermal synthesis ; Coprecipitation ; Seebeck coefficient ; Nanoparticle ; Nanotechnology ; Oxide ; Metallurgy ; Composite material ; Thermal conductivity ; Electrical engineering ; Physics ; Thermodynamics Advanced Thermoelectric Materials and Devices ; Gas Sensing Nanomaterials and Sensors ; Transition Metal Oxide Nanomaterials
Authors: A.R. Kaufmann | Samuel Schlicht | Uta Rösel | Dietmar Drummer
Source: Polymer Engineering and Science (article, 2024-07-10)
Field: Materials Science — Materials Chemistry

Adhesion‐controlled anisotropic rotational molding of multilayered ultrasoft silicone films Abstract Rotational molding allows the manufacturing of geometrically complex, hollow parts while maintaining low tool costs. While the rotational molding of thermoplastics is subject to inherent limitations regarding the wall thickness and processing of ultrasoft materials, the present paper introduces the adhesion‐controlled, highly dynamic rotational molding of room‐temperature curing resins, enabling the fabrication of thin, multilayered films and anisotropic, ultrasoft silicone components at rotational speeds up to 2000 min −1 . The studies comprise the influence of the applied rotational speeds and the different molds. Based on scanning electron micrographs, the process is shown to allow for locally tailored part thicknesses, enabling the manufacturing of multilayered films with singular layers obtaining thicknesses below 10 μm. Relying on the control of emerging centripetal forces, the rotational speed depicts a quasi‐linear influence on resulting layer thicknesses, allowing for controlling the film thickness with excellent interlayer bonding. Relying on the superposition of consecutive layers, the adhesion‐controlled process allows for tailoring emerging nonlinear, ultrasoft stress–strain behaviors across a broad range of desired moduli. Conducting compression tests, increased rotational speeds are shown to reduce the part stiffness, attributed to the increased relative influence of interlayer interfaces, allowing for reproducing mechanical characteristics similarly found in ultrasoft human soft tissue. Highlights Highly dynamic rotational molding of ultrasoft thin films. Targeted anisotropic structure formation. High geometric accuracy and reproducibility of thin silicone films. Targeted adaptability of nonlinear compressive mechanical properties. Applicability for ultrasoft laryngeal implants. Materials science ; Composite material ; Silicone ; Anisotropy ; Molding (decorative) ; Thin film ; Stiffness ; Nanotechnology ; Optics Silicone and Siloxane Chemistry ; Cellular and Composite Structures ; Adhesion, Friction, and Surface Interactions
Authors: Shujie Wang | Yanan Liu | Tao Zhou | Li Yang | Jie Jiang | Ke Zheng
Source: Polymers (article, 2024-11-18)
Field: Materials Science — Biomaterials

Mechanical Motion and Color Change of Humidity-Responsive Cellulose Nanocrystal Films from Sunflower Pith Nanocellulose has prompted extensive exploration of its applications in advanced functional materials, especially humidity-responsive materials. However, the sunflower pith (SP), a unique agricultural by-product with high cellulose and pectin content, is always ignored and wasted. This work applied sulfuric acid hydrolysis and sonication to sunflower pith to obtain nanocellulose and construct film materials with humidity-responsive properties. The SP nanoparticle (SP-NP) suspension could form a transparent film with stacked layers of laminated structure. Due to the tightly layered structure and expansion confinement effect, when humidity increases, the SP-NP film responds rapidly in just 0.5 s and completes a full flipping cycle in 4 s, demonstrating its excellent humidity-responsive capability. After removing hemicellulose and lignin, the SP cellulose nanocrystals (SPC-NC) could self-assemble into a chiral nematic structure in the film, displaying various structural colors based on different sonication times. The color of the SPC-NC film dynamically adjusted with changes in ambient humidity, exhibiting both functionality and aesthetics. This research provides a new perspective on the high-value utilization of sunflower pith while establishing a practical foundation for developing novel responsive cellulose-based materials. Nanocellulose ; Materials science ; Cellulose ; Pith ; Sonication ; Humidity ; Hemicellulose ; Sunflower ; Sulfuric acid ; Chemical engineering ; Nanocrystal ; Composite material ; Nanotechnology ; Botany ; Horticulture Advanced Cellulose Research Studies ; Polysaccharides and Plant Cell Walls ; Lignin and Wood Chemistry