jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jinbo Guo | Xiaoqing Chen | Yuanyuan Kang | Guanhua Zhang | Hongfa Yu | Wei Xiao | Meng Zhang
Source: Buildings (article, 2024-11-21)
Field: Materials Science — Materials Chemistry

Study on the Repair Performance and Carbon Emission Analysis of Magnesium Phosphate Cement Prepared from Lithium Extraction Residue Magnesium phosphate cement (MPC), as a rapid-hardening and early-strengthening cementitious material, is commonly used for repairing concrete defects. To enhance the repair efficiency of MPC and its mortar, MPC mortar and paste with the addition of 40% fly ash and 20% slag were studied and designed to evaluate the performance of MPC in repairing different types of defects such as concrete cracks and surface spalling. The test results for flexural bond strength, splitting tensile bond strength, pull-off strength, and fracture toughness indicate that MPC neat paste exhibits the highest efficiency for repairing concrete cut surfaces and cracks, with bond strength and splitting tensile strength reaching 2.8 MPa and 2.39 MPa, respectively, at 28 days. For surface spalling repairs, MPC mortar with mineral admixtures demonstrates the highest repair efficiency. The pull-off strength of MPC repair mortar with fly ash reaches 0.62 MPa after 28 days, and the fracture toughness of MPC repair mortar with slag is 0.614 MPa/m1/2. Additionally, this study explores the effectiveness of using calcined magnesium oxide and fly ash to produce MPC mortar in reducing carbon emissions during the production stage, comparing it with traditional Portland cement mortar. The research results reveal that, compared to MPC paste made solely with magnesium oxide containing boron, MPC paste with slag addition reduces carbon emissions by 38.95%. However, compared to traditional Portland cement mortar, the carbon emissions of MPC paste with slag addition still increase by 27.67%. Compared to MPC mortar without reactive mineral powder addition, MPC mortar with slag addition reduces carbon emissions by 39.24%, and compared to traditional Portland cement mortar, it reduces carbon emissions by 25%. The addition of reactive mineral powder and sand can effectively reduce the carbon emissions during the application of MPC, with slag addition showing the best carbon reduction effect. Materials science ; Portland cement ; Mortar ; Fly ash ; Composite material ; Flexural strength ; Magnesium phosphate ; Ultimate tensile strength ; Spall ; Cementitious ; Cement ; Compressive strength ; Metallurgy Magnesium Oxide Properties and Applications ; Multiferroics and related materials
Authors: Bhargavi Posinasetty | Jaiswal Ashish Ashokkumar | Rajendra Prasad Yejjella | Hari Veluru | Kishore Bandarapalle | Rajasekhar Komarla Kumarachari
Source: Asian Journal of Chemistry (article, 2024-02-28)
Field: Chemistry — Organic Chemistry

Oxacyanopyridine-Benzofuran Hybrids: Synthesis, in silico Toxicity Assessment, in vitro Antimicrobial Activity and Dual Target Docking Studies This study emphasizes the synthesis and characterization of a novel series of oxa cyano pyridine heterocyclic molecular hybrids (OCP 1-6), integrating pyridine and benzofuran motifs. Meticulously designed from 5-chlorosalicylaldehyde in a multistep process, the synthesized compounds were structurally confirmed through IR spectroscopy, 1H NMR spectroscopy, and mass spectrometry. Computational predictions highlighted diverse properties, including antitubercular and antibacterial attributes, bioactivity scores, toxicity profiles and potential molecular targets. In vitro assessments and Schrödinger docking simulations revealed binding affinities to enzymes viz. Mycobacterium tuberculosis enoyl-ACP reductase and Escherichia coli Topoisomerase IV. Compounds, particularly OCP 2, 3, 4 and 5, exhibited significant antitubercular and antibacterial activities in both in vitro assessments and docking simulations. This study underscores the substantial potential of the synthesized hybrids as promising candidates for further lead optimization, positioning them as valuable contributors to the development of pharmaceutical agents with heightened potency and enhanced safety profiles. Chemistry ; Benzofuran ; In silico ; Docking (animal) ; Antimicrobial ; In vitro ; Computational biology ; Combinatorial chemistry ; Pharmacology ; Stereochemistry ; Biochemistry ; Organic chemistry ; Biology Multicomponent Synthesis of Heterocycles ; Synthesis and biological activity ; Synthesis of Organic Compounds
Authors: Seohyeon Park | Jaewook Yoo | Hyeojun Song | Hongseung Lee | Seongbin Lim | So Yeon Kim | Eun‐Cheol Park | Bongjoong Kim | Keun Heo | Peide D. Ye | Hagyoul Bae
Source: arXiv (Cornell University) (preprint, 2024-07-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

First Demonstration of HZO/beta-Ga2O3 Ferroelectric FinFET with Improved Memory Window We have experimentally demonstrated the effectiveness of beta-gallium oxide (beta-Ga2O3) ferroelectric fin field-effect transistors (Fe-FinFETs) for the first time. Atomic layer deposited (ALD) hafnium zirconium oxide (HZO) is used as the ferroelectric layer. The HZO/beta-Ga2O3 Fe-FinFETs have wider counterclockwise hysteresis loops in the transfer characteristics than that of conventional planar FET, achieving record-high memory window (MW) of 13.9 V in a single HZO layer. When normalized to the actual channel width, FinFETs show an improved ION/IOFF ratio of 2.3x10^7 and a subthreshold swing value of 110 mV/dec. The enhanced characteristics are attributed to the low-interface state density (Dit), showing good interface properties between the beta-Ga2O3 and HZO layer. The enhanced polarization due to larger electric fields across the entire ferroelectric layer in FinFETs is validated using Sentaurus TCAD. After 5x10^6 program/erase (PGM/ERS) cycles, the MW was maintained at 9.2 V, and the retention time was measured up to 3x10^4 s with low degradation. Therefore, the ultrawide bandgap (UWBG) Fe-FinFET was shown to be one of the promising candidates for high-density non-volatile memory devices. Window (computing) ; Ferroelectricity ; BETA (programming language) ; Materials science ; Optoelectronics ; Computer science ; Operating system ; Dielectric Ga2O3 and related materials ; Semiconductor materials and devices ; Electronic and Structural Properties of Oxides
Authors: CH Sakhinamma | Yogesh Chandra | K. Manasa
Source: International Journal of Pharmacy and Pharmaceutical Science (article, 2024-01-01)
Field: Chemistry — Spectroscopy

Application of chromatography in pharmaceutical analysis: New methodologies for drug formulations stability testing Gas chromatography is a term used to describe the group of analytical separation techniques used to analyze volatile substances in the gas phase. In gas chromatography, the components of a sample are dissolved in a solvent and vaporized in order to separate the analytes by distributing the sample between two phases: a stationary phase and a mobile phase. The mobile phase is a chemically inert gas that serves to carry the molecules of the analyte through the heated column. Gas chromatography is one of the sole forms of chromatography that does not utilize the mobile phase for interacting with the analyte. The stationary phase is either a solid adsorbent, termed gas-solid chromatography (GSC), or a liquid on an inert support, termed gas-liquid chromatography (GLC). Gas chromatography is an instrumental technique used forensically in drug analysis, arson, toxicology analyses of other organic compounds. Chromatography ; Drug ; Pharmaceutical sciences ; Pharmaceutical formulation ; Chemistry ; Biochemical engineering ; Pharmacology ; Medicine ; Engineering Analytical Chemistry and Chromatography ; Analytical Methods in Pharmaceuticals ; Protein purification and stability
Authors: Soumya Sarkar | Zirun Han | Maheera Abdul Ghani | Nives Strkalj | Jung Ho Kim | Yan Wang | Deep Jariwala | Manish Chhowalla
Source: arXiv (Cornell University) (preprint, 2024-07-12)
Field: Materials Science — Materials Chemistry

Multistate ferroelectric diodes with high electroresistance based on van der Waals heterostructures Some van der Waals (vdW) materials exhibit ferroelectricity, making them promising for novel non-volatile memories (NVMs) such as ferroelectric diodes (FeDs). CuInP2S6 (CIPS) is a well-known vdW ferroelectric that has been integrated with graphene for memory devices. Here we demonstrate FeDs with self-rectifying, hysteretic current-voltage characteristics based on vertical heterostructures of 10-nm-thick CIPS and graphene. By using vdW indium-cobalt top electrodes and graphene bottom electrodes, we achieve high electroresistance (on- and off-state resistance ratios) of ~10^6, on-state rectification ratios of ~2500 for read/write voltages of 2 V/0.5 V and maximum output current densities of 100 A/cm^2. These metrics compare favourably with state-of-the-art FeDs. Piezoresponse force microscopy measurements show that stabilization of intermediate net polarization states in CIPS leads to stable multi-bit data retention at room temperature. The combination of two-terminal design, multi-bit memory, and low-power operation in CIPS-based FeDs is potentially interesting for compute-in-memory and neuromorphic computing applications. Materials science ; van der Waals force ; Heterojunction ; Ferroelectricity ; Diode ; Optoelectronics ; Condensed matter physics ; Engineering physics ; Physics ; Quantum mechanics ; Dielectric 2D Materials and Applications ; MXene and MAX Phase Materials ; Graphene research and applications
Authors: Islam Gomaa | Ghada Mohamed Aleid | Shahira H. EL‐Moslamy | Anoud Saud Alshammari | Sumayyah Al-Marshedy | Freah Alshammary | Jouza Gharkan | Reda Abdel‐Hameed | Elbadawy A. Kamoun
Source: Research Square (preprint, 2024-07-23)
Field: Materials Science — Materials Chemistry

Unprecedented synergy of ZnO quantum dots/Ag NPs/Nitazoxanide Triumphs composite NPs over multidrug resistant human pathogens as new trend of revolutionizing antimicrobial treatment Nitazoxanide ; Antimicrobial ; Multiple drug resistance ; Composite number ; Nanotechnology ; Microbiology ; Materials science ; Medicine ; Biology ; Drug resistance ; Immunology ; Composite material Nanoparticles: synthesis and applications ; Quantum Dots Synthesis And Properties ; Graphene and Nanomaterials Applications
Authors: Mykyta Maistat | Andrii Kryvobok
Source: Technology audit and production reserves (article, 2024-01-31)
Field: Materials Science — Ceramics and Composites

Analysis of the structure of electrically conductive composite ceramics The object of the research is electrically conductive ceramics. It aims to analyze the microstructure of electrically conductive ceramic composites based on silicon carbide and investigate the influence of silicon carbide content on their properties. This study is pivotal for enhancing materials used in high-tech applications, particularly in fields where distinct electrical insulation and mechanical characteristics are crucial. The microstructure analysis conducted through scanning electron microscopy confirmed the presence of silicon carbide in all examined ceramic samples, except in those where silicon carbide was not added. Special attention should be given to the sample with 30 % silicon carbide, distinguished by the lowest open porosity. These findings are corroborated by previous research where this sample exhibited superior properties: open porosity – 12.51 %, water absorption – 5.88 %, apparent density – 2.13 g/cm³, specific resistance – 0.43·106 Ω·m. These characteristics indicate low porosity and high structural-physical property values. The results not only affirm the successful incorporation of silicon carbide into the ceramic matrix but also highlight the prospects for applying the researched ceramic materials in areas where electrical insulation and mechanical properties are crucial. Specifically, the sample with 30 % silicon carbide appears particularly promising due to its high characteristics and lower porosity, making it potentially interesting for applications in high-tech industries such as electronics and telecommunications. The conclusions suggest the potential use of these ceramic materials in various high-tech industries where both electrical and mechanical properties are essential. The sample with 30 % silicon carbide, with its exceptional characteristics, holds potential for applications in advanced technologies. Further research in this direction could lead to the development of new materials for effective radiofrequency absorption, finding broad applications in different technological fields. Silicon carbide ; Materials science ; Ceramic ; Microstructure ; Porosity ; Composite material ; Silicon ; Ceramic matrix composite ; Carbide ; Porous silicon ; Composite number ; Electrical conductor ; Metallurgy Advanced ceramic materials synthesis ; Recycling and Waste Management Techniques ; Recycling and utilization of industrial and municipal waste in materials production
Authors: Luca Reali | Max Boleininger | Daniel R. Mason | S. L. Dudarev
Source: arXiv (Cornell University) (preprint, 2024-09-20)
Field: Materials Science — Materials Chemistry

Atomistic simulations of athermal irradiation creep and swelling of copper and tungsten in the high dose limit Radiation creep and swelling are irreversible deformation phenomena occurring in materials irradiated even at low temperatures. On the microscopic scale, energetic particles initiate collision cascades, generating and eliminating defects that then interact and coalesce in the presence of internal and external stress. We investigate how copper and tungsten swell and deform under various applied stress states in the low- and high-energy irradiation limits. Simulations show that the two metals respond in a qualitatively similar manner, in a remarkable deviation from the fundamentally different low-temperature plastic behaviour of bcc and fcc. The deviatoric part of plastic strain is particularly sensitive to applied stress, leading to anisotropic dimensional changes. At the same time, the volume change, vacancy content and dislocation density are almost insensitive to the applied stress. Low- as opposed to high-energy irradiation gives rise to greater swelling, faster creep, and higher defect content for the same dose. Simulations show that even at low temperatures, where thermal creep is absent, irradiation results in a stress-dependent irreversible anisotropic deformation of considerable magnitude, with the orientation aligned with the orientation of applied stress. To model the high dose microstructures, we develop an algorithm that at the cost of about 25% overestimation of the defect content is up to ten times faster than collision cascade simulations. The direct time integration of equations of motion of atoms in cascades is replaced by the minimisation of energy of molten spherical regions; multiple insertion of molten zones and the subsequent relaxation steps simulate the increasing radiation exposure. Tungsten ; Creep ; Irradiation ; Copper ; Swelling ; Materials science ; Limit (mathematics) ; Metallurgy ; Radiochemistry ; Composite material ; Nuclear physics ; Chemistry ; Physics ; Mathematics Nuclear Materials and Properties ; Ion-surface interactions and analysis ; Fusion materials and technologies
Authors: Zhao Zhang | Jiaxing Zhang | Yang Wang | Hui Chang
Source: Chinese Journal of Luminescence (article, 2024-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Regulation of 3d-4f Energy Transfer and Single Molecule White Light by Tripyridyl Benzene Bridged β-dione Ligand - 3d-4f Materials science ; Benzene ; Molecule ; Energy transfer ; Ligand (biochemistry) ; White light ; White (mutation) ; Energy (signal processing) ; Photochemistry ; Nanotechnology ; Atomic physics ; Optoelectronics ; Physics ; Organic chemistry ; Quantum mechanics ; Chemistry Photochemistry and Electron Transfer Studies ; Porphyrin and Phthalocyanine Chemistry ; Molecular Junctions and Nanostructures
Authors: Yang Wang | Mingquan Zhou | Rongxin Chen | Qingming Meng | P. Li
Source:  (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Research Progress in Aging State Assessment of High-Voltage XLPE Power Cables Insulation The insulation aging status of high-voltage cross-linked polyethylene (XLPE) power cables is crucial for ensuring power supply reliability. Therefore, research on methods for detecting and evaluating the insulation aging status of high-voltage cables holds significant importance. Both domestic and i Electrical engineering ; Materials science ; High voltage ; Voltage ; State (computer science) ; Power (physics) ; Electric breakdown ; Engineering physics ; Reliability engineering ; Engineering ; Forensic engineering ; Composite material ; Computer science ; Physics High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Thermal Analysis in Power Transmission
Authors: А.К. Ахмедов | А. Ш. Асваров | E. K. Murliev | З.В. Шомахов
Source: Physical and Chemical Aspects of the Study of Clusters Nanostructures and Nanomaterials (article, 2024-12-15)
Field: Materials Science — Polymers and Plastics

Прозрачные проводящие слои с высокой подвижностью свободных носителей заряда на основе оксида индия, легированного вольфрамом Increasing the conductivity of transparent conductive layers by increasing the mobility of free charge carriers is one of the most important tasks of transparent electronics, since its solution contributes not only to the reduction of heat losses in the layers, but also to the expansion of the spectrum of the radiation used towards the near infrared region. Currently, work in this area is being carried out in some routes, one of which is the search for new layer’s compositions that allow reducing the amount of impurity introduced while simultaneously increasing the efficiency of its ionization. In this paper, the influence of the oxygen content in the working gas and the deposition temperature on the morphology, microstructure, electrical, and optical characteristics of thin layers deposited by high-frequency magnetron sputtering of an ceramic target based on In2O3 with the addition of 1 wt.% WO3 was investigated. It was found that the maximum mobility (59 cm2/V٠s) and minimum specific resistance (7,8×10–4 Ohm٠cm) are achieved in layers synthesized at 300°C in the pure argon atmosphere. For comparison, layers based on a solid solution of indium and tin oxides, widely used in the formation of transparent electrodes in various optoelectronic applications, were obtained under identical conditions. It was shown that layers based on indium oxide doped with tungsten retain acceptable transparency in a wide spectral range, up to 2000 nm, and are, therefore, preferable for use in devices operating in the near infrared range, for example, in solar energy converters or night vision devices. Computer science Transition Metal Oxide Nanomaterials ; ZnO doping and properties ; Thermal Radiation and Cooling Technologies
Authors: Long Van Duong | Nguyễn Minh Tâm | Amir Karton | Minh Nguyen
Source: RUNE (Research UNE) (article, 2024-10-18)
Field: Materials Science — Materials Chemistry

Triple-chain boron clusters: lengthening via phosphorus doping and enhancing stability through {P} by {CH} substitution This theoretical study presents novel insights into the doping of boron clusters with an increasing number of dopant atoms, ranging from 1 to 4, that preserve the integrity of the original boron framework. The triple-chain forms of clusters B10 and B16 remain unchanged upon sequential addition of P atoms, showcasing a perfect isolobal substitution of {P} with {CH}. Similarities in the number of delocalized electrons are observed between pure and doped boron clusters, alongside the subsequent substitution of {P} with {CH}. All triple-chain structures exhibit high thermodynamic stability, having low vertical attachment energies and high vertical ionization energies. The lowest-lying isomer of B16P4 has thus a triple-chain shape instead of a tetrahedral Td form as previously reported. While AdNDP analysis confirms the number of globally delocalized electrons, it differs much from a previous interpretation. The magnetic ring current maps support the double aromaticity of triple-chain structures. Electron counting rules established for triple-chain structures are verified. The particle-in-a-rectangular-box model elucidates the relationship between the structure size and electron configuration and aids in understanding the transition from antiaromatic to aromatic configurations. The self-locking phenomenon is crucial for adhering to the triple chain model and satisfying electron configuration requirements. Delocalized electron ; Boron ; Dopant ; Aromaticity ; Doping ; Ring (chemistry) ; Antiaromaticity ; Electron ; Electronic structure Boron and Carbon Nanomaterials Research ; Boron Compounds in Chemistry ; Graphene research and applications
Authors: NUR AZREENA IDRIS
Source: Journal of Oil Palm Research (article, 2024-03-01)
Field: Chemistry — Organic Chemistry

DISCOVERING THE GLOBAL LANDSCAPE OF WOOD PRESERVATIVES Wood is a precious natural resource used in many human activities, including construction and furnishing of building interiors.However, wood decomposes due to a variety of wood decay fungi species, including brown rot, white rot or soft rot fungi, inorganic elements, moisture and weathering.Therefore, a variety of wood preservation techniques have been developed to lengthen the service life of wood, lowering replacement costs and enabling wood to be used more effectively in numerous applications.A bibliometric analysis of 4,153 Scopus articles on wood preservatives, including biocide use of wood vinegar and oil palm wood vinegar, was conducted.The data was visualised using VOSviewer, analysed using Harzing's Publish or Perish and evaluated in Microsoft Excel for frequency of occurrences.This article analysed wood preservative research and development over time by categorising article by title, country of origin, publishing institution, and publication citation patterns.This review highlighted the most important research participants and suggested that wood preservatives are extensively used and have had a significant impact on the number of articles published in regions such as Europe and Asia.These findings extend to emerging patterns and issues in terms of publication frequency, journal impact factor, collaborative patterns and research components, which supplement the scarce global wood preservative trends literature. White rot ; Preservative ; Pulp and paper industry ; Geography ; Environmental science ; Engineering ; Biology ; Botany Wood and Agarwood Research ; Wood Treatment and Properties ; Forest Ecology and Biodiversity Studies