jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Muhammad Syahir Redwan Mazlin | Lau Kwan Yiew | Aizat Azmi
Source: ELEKTRIKA- Journal of Electrical Engineering (article, 2025-12-22)
Field: Materials Science — Materials Chemistry

Dielectric Strength of Polypropylene/Copolymer Blends Presently, polypropylene (PP), a type of thermoplastic polymer, becomes favorable for use in power cable insulation owing to its better electrical properties over the thermoset crosslinked polyethylene (XLPE). However, PP has a significant issue in term of mechanical properties. Specifically, standalone PP has high stiffness and brittleness. Therefore, adding copolymers into PP is an effective approach to tailor the flexibility of standalone PP. Nevertheless, this often comes with degraded dielectric strength of PP/copolymer blends, particularly with increasing loadings of copolymers. Therefore, this paper investigates the chemical structure and AC and DC breakdown performance of PP with 20 wt% of ethylene-based copolymer (EBC) and 20 wt% of propylene-based copolymer (PBC). The results reveal that the presence of methyl groups of PP/EBC is more pronounced compared to PP/PBC. Meanwhile, the AC breakdown strengths of PP with 20 wt% of EBC and 20 wt% of PBC are comparable at 151 kV/mm and 153 kV/mm respectively, compared to that of XLPE (148 kV/mm). Additionally, PP with 20 wt% of EBC has a comparable DC breakdown strength (317 kV/mm) to XLPE (324 kV/mm) while PP with 20 wt% of PBC has a higher DC breakdown strength (338 kV/mm) over XLPE. Therefore, both the AC and DC breakdown performance of PP with 20 wt% of EBC and 20 wt% of PBC are not inferior over XLPE. These suggest that 20 wt% of EBC and 20 wt% of PBC are appropriate for formulating PP/EBC blend and PP/PBC blend as alternatives to XLPE. Polypropylene ; Thermosetting polymer ; Polyethylene ; Thermoplastic ; Dielectric strength ; Izod impact strength test ; Copolymer ; Dielectric ; Stiffness High voltage insulation and dielectric phenomena ; Dielectric materials and actuators ; Power Transformer Diagnostics and Insulation
Authors: Shayantan Chaudhuri | Bang C. Huynh | Ross Amory | David M. Rogers | Aiden Cranney | Luis Á. Martínez-Martínez | Tommaso Macrì | Glenn Jones | Evan Sheridan | Abhishek Khedkar | Lana Mineh | Ashley Montanaro | Katherine Inzani | Jonathan D. Hirst
Source: ChemRxiv (preprint, 2025-06-02)
Field: Chemistry — Organic Chemistry

Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing Targeted covalent inhibitors represent a promising class of drugs that form specific chemical bonds with their biological targets. There are a multitude of molecular systems where covalent inhibitors could address human health challenges. A high level quantum chemical description of the formation of the critical covalent bond could provide new mechanistic detail and insights into how the mechanism is influenced by the surrounding biomolecular environment. However, accurately simulating the reactivity and binding specificity of such inhibitors remains a significant challenge. By leveraging advances in quantum computing hardware and algorithms, we discuss how quantum computing could benefit the design of targeted covalent inhibitors and enable more accurate simulations of protein-ligand interactions and accelerate de novo drug discovery. Covalent bond ; Computer science ; Drug discovery ; Covalent binding ; Nanotechnology ; Combinatorial chemistry ; Quantum chemical ; Chemistry ; Ligand (biochemistry) ; Computational biology ; Molecule ; Materials science ; Biochemistry ; Biology ; Organic chemistry Click Chemistry and Applications ; Computational Drug Discovery Methods
Authors: Hao Sun | Yifan Zhou | Dingqian Yang | Gaoyi Shang | Xuandong Liu
Source: Journal of Applied Physics (article, 2025-11-24)
Field: Materials Science — Materials Chemistry

Analysis of pseudo-breakdown phenomena and phase-field simulation during epoxy resin insulation degradation Insulation failure in solid dielectrics poses a great challenge to the safe operation of power equipment. In order to analyze the causes and mechanisms of different degradation processes in insulation materials, this paper builds an experimental platform to simulate the degradation of epoxy resin insulation defects. The degradation of conductive and non-conductive electrical trees under alternating current superimposed direct current voltage was studied. Experimental results show that conductive electrical trees have faster insulation failure times. Non-conductive electrical trees do not lead to insulation failure immediately after developing contact with the ground electrode, and still maintain insulation of the order of 102 s. Partial discharges are the cause of the growth of conductive trees, but not the non-conductive ones. A dimensionless phase-field simulation method is proposed to regulate the electrical tree development process through state parameters. The simulation results indicated that the development of two types of electrical trees is influenced by the strength of the electric field. When the electrostatic energy is not sufficient to cross the body free energy barrier, insulation degradation occurs as a non-conductive electrical tree. This paper provides new ideas for simulating insulation material degradation, which helps to understand the mechanisms of different insulation degradation types from an energy standpoint. Electrical conductor ; Epoxy ; Degradation (telecommunications) ; Electrical treeing ; Dielectric strength ; Electric potential energy ; Dielectric ; Voltage ; Electrical breakdown High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Dielectric materials and actuators
Authors: Weizhuo Li | Xuan Wang | Mingzhe Qu | Xiaoming Wang | Jiahao Shi
Source: Polymers (article, 2025-07-14)
Field: Materials Science — Materials Chemistry

The Influence of h-BN Distribution Behavior on the Electrothermal Properties of Bismaleimide Resin Thermal conductive composite materials have excellent electrical insulation properties, low cost, and are lightweight, making them a promising alternative to traditional electronic packaging materials and enhancing the heat dissipation of integrated circuits. Due to the differences in specific surface area and volume, thermal conductive fillers have poor interface connections between the polymer and/or thermal conductive filler, thereby increasing phonon scattering and affecting thermal conductivity. This article uses bismaleimide resin as the matrix and h-BN as the thermal conductive filler. The evolution laws of thermal conductivity and dielectric properties of thermal conductive composite materials were systematically characterized through multi-scale filler control and gradient filling design. Among them, h-BN with a diameter of 10 μm has the most significant improvement in thermal conductivity. When the filling amount is 40 wt%, the thermal conductivity reaches 1.31 W/(m·K). Materials science ; Thermal conductivity ; Composite material ; Electrical conductor ; Composite number ; Filler (materials) ; Thermal ; Thermal grease ; Dielectric ; Thermal conduction ; Conductive polymer ; Polymer ; Optoelectronics Thermal properties of materials ; Epoxy Resin Curing Processes ; Carbon Nanotubes in Composites
Authors: Amer A. G. Al Abdel Hamid
Source: International Journal of Computational and Experimental Science and Engineering (article, 2025-11-19)
Field: Chemistry — Organic Chemistry

Retarding Effect of the Mediating Sulfane (-S-) Group on Chelation Efficacy of Thiolic-Sulfur Toward Mercury in 2-(2-Mercaptothiazol-5-yl) acetic acid Derivative. DFT-Theoretical Study. Mercapto-containing chelates: 2-(2-mercapto-4-methyl-2,3-dihydrothiazol-5-yl) acetic acid (AS2NHM), 2-(2-mercapto-4-methylthiazol-5-yl) acetic acid (AS2NM), 2-(2-mercapto-5-methyl-3H-pyrrol-4-yl) acetic acid (ACSNM), 2-(5-mercapto-3-methylthiophen-2-yl) acetic acid (AS2CM), 2-(2-mercaptothiazol-5-yl) acetic acid (AS2N) and 4-ethylthiazole-2-thiol (S2NM) were studied using DFT method of calculation employing B3LYP/LanL2DZ level of theory.Computational results have showed that mediating groups (Sulfane -S- and imine =N-) along with the attached substituents (methyl -CH3 and carboxylic -COOH) surprisingly have a dramatic effect on charge density localization/delocalization on thiolic-sulfur as a donor atom and thus on its capability of binding the mercuric divalent ion.Responses for modifications brought by in all simulates were tracked by calculating the charge density on thiolic-sulfur and atoms in proximity. Related changes in geometrical parameters, namely, bond lengths and bond angles in the neighborhood of thiolic-sulfur were also monitored to hopefully provide us with more insights about the effect of the performed modifications. Images of HOMO-LUMO orbitals and charge density distribution surfaces are also presented.Effects of Sulfane (-S-) mediating group on electron density enrichment of thiolic-sulfur, thus its chelation effectiveness for mercuric ion have been investigated. This is in order to deep understand the chelation weakness of 2-(2-Mercaptothiazol-5-yl) acetic acid (AS2NM) toward mercury(II) ions in particular, which has been encountered in earlier experimental research work.Findings of the study, have clarified the drawbacks of AS2NM that lay behind its failure in stabilizing the divalent mercuric ion through effective coordination. Nevertheless, it was able of developing stronger binding with Hg metal ions compared to the other chelates, this was attributed to softness close matching with Hg ion. Acetic acid ; Chelation ; Divalent ; Ion ; Charge density ; Metal ; Carboxylic acid ; Metal ions in aqueous solution Inorganic and Organometallic Chemistry ; Molecular Sensors and Ion Detection ; Chemical Reaction Mechanisms
Authors: A. Öztürk | Ahmet Koluman
Source: Pamukkale University Journal of Engineering Sciences (article, 2025-01-01)
Field: Materials Science — Biomaterials

Production of nanofibers containing postbiotics using electrospinning method Postbiyotikler, eitli yntemler ile retilen ve canl hcre iermeyen metabolitlerdir.erdikleri biyoaktif ajanlar ile bulunduklar ortamda anmikrobiyal, antiviral ve antienflamatuar gibi eitli fizyolojik aktiviteleri tevik ederler.Canl hcre iermedikleri iin antibiyotik direnci oluturmazlar, bakl dk bireylerde kullanm gvenlidir ve souk zincir gerektirmeyen tama ve depolama kolaylklar ile probiyotiklere kyasla birok stn zelliklere sahiptir Electrospinning ; Nanofiber ; Production (economics) ; Spinning Electrospun Nanofibers in Biomedical Applications ; Silk-based biomaterials and applications
Authors: Hilal Khan | Muzzamal Hussain | Rabia Baqi | S. Ali | Abdulaziz Alhazaa | Muhammad Ali Shar | Asjad Tariq | Shahid Atiq
Source: Advanced Engineering Materials (article, 2025-12-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Efficient Multifunctional Response and Polarization Switching in BiFeO <sub>3</sub> –PbZr <sub>0.58</sub> Ti <sub>0.42</sub> O <sub>3</sub> –MnFe <sub>2</sub> O <sub>4</sub> ‐Based Triphasic Composites for Advanced Pulsating Applications Owing to their efficient multifunctional responses, multiferroics have secured a notable position for use in sensors, memory, and spintronic devices. Herein, highly crystalline forms of BiFeO 3 , PbZr 0.58 Ti 0.42 O 3 , and MnFe 2 O 4 are obtained through hydrothermal, solid‐state, and sol–gel autocombustion methods, respectively. A triphasic composite series with the formula 0.9[(1–x)BiFeO 3 + x PbZr 0.58 Ti 0.42 O 3 + 0.1MnFe 2 O 4 ( x = 0.0–0.3, interval 0.1) is then prepared using the solid‐state route. X‐ray diffraction confirms the coexistence of rhombohedral‐distorted perovskite phases (BiFeO 3 and PbZr 0.58 Ti 0.42 O 3 ) alongside the cubic spinel phase (MnFe 2 O 4 ). Field‐emission scanning electron microscopy reveals porous surfaces with spherical and irregular grain morphologies. Ferroelectric analysis demonstrates a maximum polarization of 3.736 × 10 −3 μC cm − 2 , with the highest energy‐storage efficiency of 70.76% and minimal energy loss density (0.1498 μJ cm − 3 ) for the x = 0.2 composition, making it suitable for energy storage and memory applications. Positive‐up negative‐down analysis confirms significant variations in switching charge density across all composites. Meanwhile, magnetic hysteresis studies demonstrate soft ferromagnetic behavior dominated by the MnFe 2 O 4 phase, with optimal response in x = 0.3 sample with M max ≈ 0.38 emu g −1 , M r = 0.019 emu g −1 , and H c = 160 Oe. By harnessing these parameters, the x = 0.2 composition emerges as optimal for energy storage, while the x = 0.3 composition stands out for magnetic device applications. Multiferroics ; Ferroelectricity ; Spintronics ; Spinel ; Perovskite (structure) ; Composite number ; Ferromagnetism ; Polarization (electrochemistry) ; Scanning electron microscope Multiferroics and related materials ; Ferroelectric and Piezoelectric Materials ; Dielectric properties of ceramics
Authors: İbrahim Demir | İbrahim Bulduk | Hüseyin Enginar | Cemal Çifçi
Source: Afyon Kocatepe University Journal of Sciences and Engineering (article, 2025-01-28)
Field: Chemistry — Analytical Chemistry

Farmasötik Formülasyonlarda ve Saf Formda Ketiapin Miktar Tayini İçin Operatör ve Çevre Dostu Analitik Tekniklerin Geliştirilmesi ve Validasyonu Ketiapin, şizofreni, majör depresif bozukluk ve bipolar bozukluk tedavisinde kullanılan bir tür atipik antipsikotik ajandır. Bu çalışmada, ketiapinin saf ve formülasyonlarda miktar tayini için çevresel ve operatör dostu analitik yöntemler geliştirilmiştir. En iyi spektrumlar ultra saf su ile elde edildiği için, bu çözücü spektrofotometrik analiz için kullanıldı. Ketiapin standart çözeltilerinin 290 nm dalga boyunda UV ışığını maksimum düzeyde absorbe ettiği tespit edilmiş ve tespit için 290 nm dalga boyu seçilmiştir. Her iki yöntem de ICH kurallarına göre doğrulandı. Geliştirilen yöntemlerle 5-30 µg mL-1 konsantrasyon aralığında korelasyon katsayılarının 0,999'dan büyük olduğu tespit edildi. Geliştirilen yöntemler ticari formülasyonlara uygulanmıştır. Elde edilen sonuçlar ortalamalar için Student (t) testi ve standart sapmalar için Fischer (F) testi kullanılarak karşılaştırılmıştır. Yöntemler arasında önemli bir fark gözlenmemiştir. Geliştirilen yöntemlerin yeşillik değerlendirmesi AGREE yazılımı kullanılarak gerçekleştirilmiştir. Geliştirilen analitik yöntemler, ticari formülasyonlarda ketiapin miktar tayini için mükemmel çevresel ve analist dostu alternatifler olarak önerilmektedir. Gynecology ; Medicine Analytical Methods in Pharmaceuticals ; Analytical Chemistry and Chromatography ; Pesticide Residue Analysis and Safety
Authors: Anton Zubayer | Τakayasu Hanashima | Jun Sugiyama | Anna L. David | Xianjie Liu | Naureen Ghafoor | Jochen Stahn | Artur Glavic | Yasukazu Murakami | Takehiro Tamaoka | Y. Tomita | Mitsunari Auchi | Jens Birch | Mats Fahlman | Fredrik Eriksson
Source: ArXiv.org (preprint, 2025-02-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetic hysteresis control in thin film Fe/Si multilayers by incorporation of B4C Magnetic hysteresis properties in Fe/Si multilayers have been studied as a function of the B4C content to control magnetization amplitude, coercivity, and hysteresis tilt, properties that are beneficial to tune for advancing applications in e.g. data storage, spintronics, and sensors. With an ion-assisted magnetron sputtering technique, 35 distinct thin film multilayer samples were prepared and their magnetic and structural properties were characterized by vibrating sample magnetometry, X-ray photoelectron spectroscopy, near edge X-ray absorption fine structure spectroscopy, and X-ray and neutron scattering methods. Key findings indicate that adding B4C lowers the coercivity and can decrease the saturation magnetization, demonstrating the tunability of magnetic responses based on composition. For samples with =30Å periodicity, 10-15% of B4C addition produces antiferromagnetically (AF) coupled multilayers, and such AF coupling strength increases with the B4C content. Our findings reveal that B atoms do not chemically bind within the Fe atoms but instead occupy interstitial positions, disrupting medium- to long-range crystallinity thereby inducing the amorphization. Thereon, the observed effects on magnetic properties are directly attributed to this amorphization process caused by the presence of B4C. The demonstrated ability to finely adjust magnetic properties by varying the B4C content offers a promising approach to overcome challenges in magnetic device performance and efficiency. Hysteresis ; Materials science ; Thin film ; Magnetic hysteresis ; Condensed matter physics ; Optoelectronics ; Engineering physics ; Nanotechnology ; Magnetization ; Magnetic field ; Physics Magnetic Properties and Applications ; Magnetic properties of thin films ; Magnetic Properties of Alloys
Authors: Nguyen Thi Hoang Phuong | Phan Minh Nhat | Nguyễn Văn Hiệu
Source: Informatica (article, 2025-11-23)
Field: Chemistry — Analytical Chemistry

SMART-NIR: A Multi-Kernel Vision Transformer with Kolmogorov-Arnold Network Classifier for Near-Infrared Spectral Classification Near-infrared (NIR) spectroscopy is a powerful analytical tool widely applied in classification and quality control. However, it faces significant challenges when handling complex, multidimensional, and nonlinear data. This paper introduces SMART-NIR, an innovative framework designed to enhance NIR spectral analysis by integrating multi-kernel feature extraction, an improved Vision Transformer architecture with Dual-MLP, and Kolmogorov-Arnold Networks (KAN) for superior classification performance. The proposed framework achieved an impressive classification accuracy of 99.24%, surpassing traditional Transformer models. The multi-kernel feature extraction technique allows adaptive extraction of key spectral features, while KAN integration improves classification accuracy by 5% over standard MLP classifiers. Additionally, the Dual-MLP architecture significantly reduces the number of parameters and floating point operations (FLOPs) compared to conventional feed-forward networks used in Transformers. SMART-NIR demonstrates exceptional capability in capturing complex, nonlinear data relationships, making it highly effective for real-time inspection and analysis in dynamic, noisy environments. The framework offers a promising solution for enhancing the accuracy and efficiency of NIR spectroscopy across various practical applications. Classifier (UML) ; Feature extraction ; Pattern recognition (psychology) ; Transformer ; Nonlinear system ; Statistical classification Spectroscopy and Chemometric Analyses ; Water Quality Monitoring and Analysis ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Abdul Halim Umar | Citra Surya Ningsi Biringallo | Pratiwi Intan Tuyuwale | Anita Kila | Karin Dian Febyola | Reny Syahruni | Wahyu Hendrarti | Mohamad Rafi | Diah Ratnadewi
Source: Research Square (preprint, 2025-04-03)
Field: Chemistry — Organic Chemistry

Unveiling the Pharmacological Mechanism of Cosmos caudatus Compounds as Lung Cancer Drug Candidates: Pharmacology Networking, Molecular Docking, and Experimental Validation Docking (animal) ; Drug ; Pharmacology ; Mechanism (biology) ; Lung cancer ; Chemistry ; Computational biology ; Biology ; Medicine ; Oncology ; Philosophy Synthesis and biological activity ; Cancer therapeutics and mechanisms ; Bioactive Compounds and Antitumor Agents
Authors: Blessing Amarachi | Asiwe | Emeka Sabastine | Ezeji-Chigbu | Nmadike Gabriel Nnamemeka | Ujowundu | Favour Ntite | Ukairo Doris Ifunanya
Source: International Journal of Bioscience and Biochemistry (article, 2025-01-01)
Field: Chemistry — Analytical Chemistry

Bioremediation of endocrine disruptors Bioremediation has become a novel technique for the detoxification and clean-up of endocrine disruptors, which is now a global concern. Endocrine disruptors, which are known to be chemicals or compounds that interfere with the production, transportation, excretion, and overall activities of the endocrine system, have also emerged as a universal challenge. This is because endocrine disruptors are unavoidable, and exposure to these compounds can occur in places like homes, schools, farms, and water, food, and air. These endocrine disruptors range from naturally occurring phytoestrogens to phthalates found in plastics, polychlorinated biphenyls, dioxins, bisphenol A, bisphenol S, phenol compounds, some pesticides, fungicides, pharmaceuticals, and heavy metals. Some physical and chemical methods were previously utilized for the detoxification of endocrine disruptors, but their demerits included high environmental toxicity, high cost, and inability to completely detoxify these toxic pollutants. There is a growing attention towards the removal of endocrine disruptors from the environment through the utilization of the catalytic activity of some oxidative enzymes like oxidoreductases (lignin peroxidases, manganese peroxidases, laccases, tyrosinases). These enzymes are extracted from the microorganisms and immobilized on a carrier support, or used in their free form, or the whole microorganisms are used for the bioremediation. These approaches have gained universal acceptance because they are specific, efficient, and environmentally friendly. Immobilization technique has become a novel approach to enhance stability, enzyme activity, and also preserve the 3-dimensional structure of the enzyme in severe reaction conditions. Endocrine system ; Bioremediation ; Detoxification (alternative medicine) ; Bisphenol A ; Xenobiotic ; Endocrine disruptor ; Enzyme Dye analysis and toxicity
Authors: Jawad Ali Haqqani | Shahed Ali Haqqani | Shaikh Affan Sattarb | Jafar Razzak Birbalc | Sant Ram Chauhan
Source: International Journal of Research Publication and Reviews (article, 2025-04-01)
Field: Materials Science — Materials Chemistry

Smart Waste Heat Recovery and Cooling System for Transformers Using Thermoelectric Generators (TEGs) Transformers are vital components in the distribution of electrical power but often suffer efficiency losses due to excessive heat buildup.Traditional cooling mechanisms regulate temperature effectively; however, they overlook the opportunity to reclaim energy from this thermal waste.This study presents a novel solution that merges thermoelectric technology with active cooling to form a self-sustaining thermal management system.Utilizing TEG SP1848-27145 modules, the system extracts waste heat and transforms it into electricity to power a cooling fan, creating an autonomous, feedback-driven setup.An SCR-based voltage controller ensures a constant temperature output from a nichrome wire, simulating actual transformer load scenarios.The paper outlines the system's design, components, and testing methodology, and demonstrates improvements in energy efficiency by 8-12%, along with an expected 20-30% increase in operational lifespan. Thermoelectric generator ; Waste heat recovery unit ; Thermoelectric effect ; Waste heat ; Transformer ; Thermoelectric cooling ; Materials science ; Waste management ; Nuclear engineering ; Water cooling ; Environmental science ; Process engineering ; Mechanical engineering ; Automotive engineering ; Electrical engineering ; Engineering ; Thermodynamics ; Heat exchanger ; Voltage ; Physics Advanced Thermoelectric Materials and Devices