jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Francesco Aiello | Marco Beghini | Carlo Maria Belardini | Leonardo Bertini | Giuseppe Macoretta | Bernardo Disma Monelli | Renzo Valentini
Source: Corrosion Science (article, 2023-06-28)
Field: Materials Science — Metals and Alloys

Proposal of a hydrogen embrittlement index for a martensitic advanced high-strength steel This paper proposes a definition of a Hydrogen Embrittlement Index for assessing structural components made by a martensitic advanced high-strength steel. A material model, including a damage model and a fracture criterion, was developed to reproduce the tensile behaviour until fracture nucleation under different hydrogen concentrations. The analysis of the tests with different specimen geometries demonstrated that the maximum principal strain at fracture is correlated to hydrogen concentration, and it can be used to define the embrittlement index for quantifying the hydrogen susceptibility of material in a wide range of notch severity. Hydrogen embrittlement ; Materials science ; Environmental stress fracture ; Martensite ; Embrittlement ; Ultimate tensile strength ; Fracture (geology) ; Hydrogen ; Nucleation ; Metallurgy ; Corrosion ; Structural material ; Composite material ; Microstructure ; Thermodynamics ; Chemistry Hydrogen embrittlement and corrosion behaviors in metals ; Fatigue and fracture mechanics ; Non-Destructive Testing Techniques
Authors: David Coverdale Rangel Velasco | Felipe Perissé Duarte Lopes | Djalma Souza | Henry A. Colorado | Sérgio Neves Monteiro | Carlos Maurício Fontes Vieira
Source: Polymers (article, 2023-02-27)
Field: Materials Science — Polymers and Plastics

Evaluation of Composites Reinforced by Processed and Unprocessed Coconut Husk Powder Engineering activities aim to satisfy the demands of society. Not only should the economic and technological aspects be considered, but also the socio-environmental impact. In this sense, the development of composites with the incorporation of waste has been highlighted, aiming not only for better and/or cheaper materials, but also optimizing the use of natural resources. To obtain better results using industrial agro waste, we need to treat this waste to incorporate engineered composites and obtain the optimal results for each application desired. The objective of this work is to compare the effect of processing coconut husk particulates on the mechanical and thermal behavior of epoxy matrix composites, since we will need a smooth composite in the near future to be applied by brushes and sprayers with a high quality surface finish. This processing was carried out in a ball mill for 24 h. The matrix was a Bisphenol A diglycidyl ether (DGEBA)/triethylenetetramine (TETA) epoxy system. The tests that were performed were resistance to impact and compression, as well as the linear expansion test. Through this work, it can be observed that the processing of coconut husk powder was beneficial, allowing not only positive improvements to the properties of the composite, but also a better workability and wettability of the particulates, which was attributed to the change in the average size and shape of particulates. That means that the composites with processed coconut husk powders have improved impact strength (46 up to 51%) and compressive strength (88 up to 334%), in comparison with unprocessed particles. Husk ; Materials science ; Composite material ; Epoxy ; Izod impact strength test ; Ball mill ; Composite number ; Compressive strength ; Ultimate tensile strength Natural Fiber Reinforced Composites ; biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications
Authors: Yu Tang | Jiepeng Yang | Jiajun Zhuang | Chaojun Hou | Aimin Miao | Jinchang Ren | Huasheng Huang | Zhiping Tan | Jitendra Paliwal
Source: Computers and Electronics in Agriculture (article, 2023-10-21)
Field: Chemistry — Analytical Chemistry

Early detection of citrus anthracnose caused by Colletotrichum gloeosporioides using hyperspectral imaging Hyperspectral imaging ; Thresholding ; Artificial intelligence ; Support vector machine ; Histogram ; Pattern recognition (psychology) ; Spectral imaging ; Postharvest ; Grayscale ; Feature (linguistics) ; Mathematics ; Computer science ; Remote sensing ; Pixel ; Horticulture ; Biology ; Image (mathematics) ; Geography Spectroscopy and Chemometric Analyses ; Advanced Chemical Sensor Technologies ; Date Palm Research Studies
Authors: Hamish Stewart | Dmitry Grinfeld | Anastassios E. Giannakopulos | J. Petzoldt | Toby Shanley | Matthew Garland | Eduard Denisov | Amelia C. Peterson | Eugen Damoc | Martin Zeller | Tabiwang N. Arrey | Anna Pashkova | Santosh Renuse | Amirmansoor Hakimi | Andreas Kühn | Matthias Biel | Arne Kreutzmann | Bernd Hagedorn | Immo Colonius | Adrian Schütz | Arne Stefes | Ankit Dwivedi | Daniel Mourad | Max Hoek | Bastian Reitemeier | Philipp Cochems | Alexander Kholomeev | Robert Ostermann | Gregor Quiring | Maximilian Ochmann | Sascha Möhring | Alexander Wagner | André Petker | Sebastian Kanngiesser | Michael Wiedemeyer | Wilko Balschun | Daniel Hermanson | Vlad Zabrouskov | Alexander Makarov | Christian Hock
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-06-05)
Field: Chemistry — Spectroscopy

Parallelized Acquisition of Orbitrap and Astral Analyzers Enables High-Throughput Quantitative Analysis Abstract The growing trend towards high-throughput proteomics demands rapid liquid chromatography-mass spectrometry (LC-MS) cycles that limit the available time to gather the large numbers of MS/MS fragmentation spectra required for identification. Orbitrap analyzers scale performance with acquisition time, and necessarily sacrifice sensitivity and resolving power to deliver higher acquisition rates. We developed a new mass spectrometer that combines a mass resolving quadrupole, the Orbitrap and the novel Asymmetric Track Lossless (Astral) analyzer. The new hybrid instrument enables faster acquisition of high-resolution accurate mass (HRAM) MS/MS spectra compared to state-of-the-art mass spectrometers. Accordingly, new proteomics methods were developed that leverage the strengths of each HRAM analyzer, whereby the Orbitrap analyzer performs full scans with high dynamic range and resolution, synchronized with Astral analyzer’s acquisition of fast and sensitive HRAM MS/MS scans. Substantial improvements are demonstrated over previous methods using current state-of-the-art mass spectrometers. Abstract Figure Orbitrap ; Mass spectrometry ; Spectrum analyzer ; Spectrometer ; Hybrid mass spectrometer ; Dynamic range ; Data acquisition ; Chemistry ; Fragmentation (computing) ; Computer science ; Selected reaction monitoring ; Tandem mass spectrometry ; Chromatography ; Physics ; Optics ; Telecommunications Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Yongjune Kim | Jeong‐Hae Lee
Source: Materials (article, 2023-03-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Broadband Metasurface Absorber Based on an Optimal Combination of Copper Tiles and Chip Resistors In this study, a broadband metasurface absorber composed of an optimal combination of copper tiles connected with four chip resistors is designed and experimentally verified. After fixing the locations of the chip resistors and setting their resistances to 100 Ω, the genetic algorithm (GA) is utilized to design the optimal copper tile pattern for broadband absorption. The optimal combination of the copper tiles is identified by determining the states of the square tile pairs between copper or air, depending on the one or zero states of the bit sequence created by GA, respectively. The full-wave simulation results of the optimized metasurface absorber confirmed a -10 dB reflectance bandwidth within the frequency range of 6.57 to 12.73 GHz for the normal incidence condition, with the fractional bandwidth being 63.83%. The accuracy of the metasurface absorber was verified through an experimental result that matched well with the full-wave simulated one. Broadband ; Resistor ; Tile ; Copper ; Bandwidth (computing) ; Materials science ; Chip ; Optoelectronics ; Optics ; Optimal design ; Electronic engineering ; Electrical engineering ; Computer science ; Engineering ; Telecommunications ; Physics ; Composite material ; Metallurgy Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Antenna Design and Analysis
Authors: Ulises H. Guzmán | Ana Martínez‐Val | Zilu Ye | Eugen Damoc | Tabiwang N. Arrey | Anna Pashkova | Eduard Denisov | J. Petzoldt | Amelia C. Peterson | Florian Harking | Ole Østergaard | Hamish Stewart | Yue Xuan | Daniel Hermanson | Christian Hock | Alexander Makarov | Vlad Zabrouskov | Jesper V. Olsen
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2023-06-06)
Field: Chemistry — Spectroscopy

Narrow-window DIA: Ultra-fast quantitative analysis of comprehensive proteomes with high sequencing depth Abstract Mass spectrometry (MS)-based proteomics aims to characterize comprehensive proteomes in a fast and reproducible manner. Here, we present an ultra-fast scanning data-independent acquisition (DIA) strategy consisting on 2-Th precursor isolation windows, dissolving the differences between data-dependent and independent methods. This is achieved by pairing a Quadrupole Orbitrap mass spectrometer with the asymmetric track lossless (Astral) analyzer that provides &gt;200 Hz MS/MS scanning speed, high resolving power and sensitivity, as well as low ppm-mass accuracy. Narrow-window DIA enables profiling of up to 100 full yeast proteomes per day, or ∼10,000 human proteins in half-an-hour. Moreover, multi-shot acquisition of fractionated samples allows comprehensive coverage of human proteomes in ∼3h, showing comparable depth to next-generation RNA sequencing and with 10x higher throughput compared to current state-of-the-art MS. High quantitative precision and accuracy is demonstrated with high peptide coverage in a 3-species proteome mixture, quantifying 14,000+ proteins in a single run in half-an-hour. Teaser Accurate and precise label-free quantification with comprehensive proteome coverage using narrow-window DIA Proteome ; Mass spectrometry ; Quantitative proteomics ; Orbitrap ; Proteomics ; Chemistry ; Multiplex ; Analytical Chemistry (journal) ; Computer science ; Chromatography ; Bioinformatics ; Biology Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Metabolomics and Mass Spectrometry Studies
Authors: Fariska Zakhralativa Ruskanda | Muhammad Rifat Abiwardani | Rahmat Mulyawan | Infall Syafalni | Harashta Tatimma Larasati
Source: IEEE Access (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Quantum-Enhanced Support Vector Machine for Sentiment Classification The use of quantum technology in NLP tasks, especially sentiment classification, has the potential to be developed. In this research, we investigate the best technique to represent sentiment sentences so that sentiment can be analyzed using the Quantum-Enhanced Support Vector Machine (QE-SVM) algorithm. Investigations were carried out using circuit parameter optimization methods and data transformation. The pipeline of the proposed method consists of sentence-to-circuit conversion, circuit parameter training, statevector formation, and finally the training and testing processes. As a result, we obtained the best classification results with an accuracy of 93.33% using the SPSA optimization method and PCA transformation data. These results have also outperformed the baseline SVM method. Support vector machine ; Computer science ; Sentence ; Artificial intelligence ; Transformation (genetics) ; Sentiment analysis ; Pipeline (software) ; Pattern recognition (psychology) ; Machine learning Machine Learning in Materials Science ; Blockchain Technology in Education and Learning ; Quantum Computing Algorithms and Architecture
Authors: Sophia K. Stuber | Eva Schinnerer | Thomas G. Williams | Miguel Querejeta | Sharon E. Meidt | Éric Emsellem | Ashley T. Barnes | Ralf S. Klessen | Adam K. Leroy | Justus Neumann | Mattia C. Sormani | Frank Bigiel | Mélanie Chevance | Danny Dale | Christopher M. Faesi | Simon C. O. Glover | Kathryn Grasha | J. M. Diederik Kruijssen | Daizhong Liu | Hsi-An Pan | J. Pety | Francesca Pinna | Toshiki Saito | A. Usero | Elizabeth J. Watkins
Source: Astronomy and Astrophysics (article, 2023-06-10)
Field: Chemistry — Spectroscopy

The gas morphology of nearby star-forming galaxies A galaxy’s morphology stems from the secular and environmental processes taking place over the course of its evolutionary history. Thus, it has consistently served as an important tool for gaining insights into galaxy evolution. In this work, we visually classified morphologies on cloud-scales based on the molecular gas distribution of a large sample of 79 nearby main sequence galaxies, using 1″ resolution CO(2–1) ALMA observations taken as part of the PHANGS survey. For this purpose, we devised a morphology classification scheme for different types of bars, spiral arms (grand-design, flocculent, multi-arm and smooth), and rings (central and non-central rings) that are similar to the well established optical ones. Furthermore, we introduced bar lane classes. In general, our cold gas-based morphologies is in good agreement with the ones based on stellar light. Both of our bars, as well as the grand-design spiral arms, are preferentially found at the higher mass end of our sample. Our gas-based classification indicates a potential for a misidentification of unbarred galaxies in the optical when massive star formation is present. Central or nuclear rings are present in a third of the sample, with a strong preference seen for barred galaxies (59%). As stellar bars are present in 45 ± 5% of our sample galaxies, we explore the utility of molecular gas as tracer of bar lane properties. We find that more curved bar lanes have a shorter radial extent in molecular gas and reside in galaxies with lower molecular to stellar mass ratios than those with straighter geometries. Galaxies display a wide range of CO morphologies and this work is aimed at providing a catalogue of morphological features in a representative sample of nearby galaxies. Physics ; Astrophysics ; Galaxy ; Spiral galaxy ; Star formation ; Astronomy ; Barred spiral galaxy ; Bar (unit) ; Stellar mass ; Disc galaxy ; Peculiar galaxy ; Elliptical galaxy ; Lenticular galaxy Spectroscopy and Laser Applications ; Galaxies: Formation, Evolution, Phenomena ; Astrophysics and Star Formation Studies
Authors: Sajad Mazloomi | Ali Amarloei | Faeze Gholami | Gholam Ali Haghighat | Gagik Badalians Gholikandi | Heshmatollah Nourmoradi | Ali Akbar Mohammadi | Mehdi Fattahi | Binh Nguyen Le
Source: Scientific Reports (article, 2023-09-05)
Field: Chemistry — Inorganic Chemistry

Parametric study and process modeling for metronidazole removal by rhombic dodecahedron ZIF-67 crystals Metronidazole (MNZ) is an extensively used antibiotic against bacterial infections for humans and farm animals. Prevention of antibiotics discharge is essential to prevent adverse environmental and health impacts. A member of metal-organic frameworks, zeolite imidazole framework-67 with cobalt sulfate precursor (ZIF-67-SO<sub>4</sub>) and exceptional physio-chemical properties was prepared via room temperature precipitation to adsorb MNZ. The study framework was designed by Box-Behnken Design to evaluate the effect of pH, ZIF-67-SO<sub>4</sub> dose, and contact time on adsorption efficiency. The polynomial model fitted the adsorption system indicated the optimal condition for 97% MNZ removal occurs at pH = 7, adsorbent dosage = 1 g/L, and mixing time = 60 min. The model also revealed that the removal increased with contact time and decreased at strong pH. Equilibrium and kinetic study also indicated the adsorption of MNZ followed the intra-particle diffusion model and the Langmuir isotherm model with a qmax = 63.03 mg/g. The insignificant loss in removal efficacy in use-reuse adsorption cycles reflected the practical viability of ZIF-67-SO<sub>4</sub>. Adsorption ; Dodecahedron ; Langmuir adsorption model ; Diffusion ; Zeolite ; Materials science ; Chemistry ; Imidazole ; Chemical engineering ; Nuclear chemistry ; Organic chemistry ; Thermodynamics ; Crystallography ; Catalysis Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Chemical Synthesis and Characterization
Authors: Khang M. V. Nguyen | Anh Phan | Nhung Dang | Truong Q. Tran | Huy K. Duong | Hung N. Nguyen | My V. Nguyen
Source: Materials Advances (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

Efficiently improving the adsorption capacity of the Rhodamine B dye in a SO<sub>3</sub>H-functionalized chromium-based metal–organic framework A maximum adsorption capacity of 811.7 mg g −1 was achieved for RhB onto BUT-8(Cr). Chromium ; Rhodamine B ; Metal-organic framework ; Adsorption ; Metal ; Rhodamine ; Chemistry ; Materials science ; Chemical engineering ; Inorganic chemistry ; Organic chemistry ; Fluorescence ; Engineering ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Dendrimers and Hyperbranched Polymers ; Adsorption and biosorption for pollutant removal
Authors: Fatemeh Kiani | Alan R. Bowman | Milad Sabzehparvar | Omer Can Karaman | Ravishankar Sundararaman | Giulia Tagliabue
Source: ACS Energy Letters (article, 2023-09-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Transport and Interfacial Injection of d-Band Hot Holes Control Plasmonic Chemistry Harnessing nonequilibrium hot carriers from plasmonic metal nanostructures constitutes a vibrant research field with the potential to control photochemical reactions, particularly for solar fuel generation. However, a comprehensive understanding of the interplay of plasmonic hot-carrier-driven processes in metal/semiconducting heterostructures has remained elusive. In this work, we reveal the complex interdependence among plasmon excitation, hot-carrier generation, transport, and interfacial collection in plasmonic photocatalytic devices, uniquely determining the charge injection efficiency at the solid/liquid interface. Measuring the internal quantum efficiency of ultrathin (14-33 nm) single-crystalline plasmonic gold (Au) nanoantenna arrays on titanium dioxide substrates, we find that the performance of the device is limited by hot hole collection at the metal/electrolyte interface. Our solid- and liquid-state experimental approach, combined with <i>ab initio</i> simulations, demonstrates more efficient collection of high-energy d-band holes traveling in the [111] orientation, enhancing oxidation reactions on {111} surfaces. These findings establish new guidelines for optimizing plasmonic photocatalytic systems and optoelectronic devices. Plasmon ; Heterojunction ; Materials science ; Charge carrier ; Photocatalysis ; Optoelectronics ; Nanotechnology ; Chemistry ; Catalysis Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Copper-based nanomaterials and applications
Authors: Rishi Raj | Dietrich E. Wolf | C. Yamada | Shikhar Krishn Jha | Jean‐Marie Lebrun
Source: Journal of the American Ceramic Society (article, 2023-02-25)
Field: Materials Science — Ceramics and Composites

On the confluence of ultrafast high‐temperature sintering and flash sintering phenomena Abstract Ultrafast high‐temperature sintering (UHS) and flash sintering are novel methods for rapid sintering of ceramics, often completed in just a few seconds. Here, we show that both also share two additional features: an abrupt rise in electrical conductivity, which is electronic, and electroluminescence. More fundamentally, both are related to phonon physics where MD calculations have shown that proliferation of phonons at the edge of the Brillouin zone can induce Frenkel pairs without the application of electrical fields. Here, we show that, indeed, heating without the application of electric field, can also induce flash: Rapid heating processes of thin films of an oxide‐salt deposited on silk fibers, with a propane torch, are shown to induce electronic conductivity, electroluminescence, and rapid sintering of the oxide. The discussion in this article harkens back to two inventions, more than a century ago, which can now be related to flash and UHS: (i) the Nernst glow lamp circa 1900, made from zirconia, and (ii) the Welsbach mantle, constituted from ceria doped thorium oxide, in the late nineteenth century. Thus, the confluence between high heating rate and electric field induced flash phenomena links the past to the new. The emerging question is how injection of phonons that has been shown to create Frenkels can further induce high electronic conductivity and electroluminescence in oxides. Both electronic conductivity and luminescence are likely related to the generation of electron–hole pairs. Sintering ; Materials science ; Electroluminescence ; Electric field ; Electrical resistivity and conductivity ; Oxide ; Luminescence ; Condensed matter physics ; Optoelectronics ; Composite material ; Mineralogy ; Metallurgy ; Electrical engineering ; Chemistry Advanced ceramic materials synthesis ; Advanced materials and composites ; Ferroelectric and Piezoelectric Materials
Authors: Wenzheng Wei | Kidae Shin | Hawoong Hong | Yeongjae Shin | Arashdeep Singh Thind | Yingjie Yang | Robert F. Klie | F. J. Walker | Charles Ahn
Source: Physical Review Materials (article, 2023-01-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Solid state reduction of nickelate thin films The square-planar nickelates are a class of superconductors analogous to the cuprates and promise to provide insight into the pairing mechanism in high-temperature superconducting oxides. The parent phase of doped superconducting films is ${\mathrm{NdNiO}}_{2}$, which is prepared by reducing ${3}^{+}$ Ni in ${\mathrm{NdNiO}}_{3}$ films. In this paper, we develop an ultrahigh vacuum reduction method using aluminum deposited on top of the ${3}^{+}$ nickelates and monitor the reduction process in real time through in situ crystal truncation rod measurements and diffraction x-ray absorption near edge spectroscopy measurements across the Ni $K$ edge. We establish a relation between Ni valence and the lattice constant of $\mathrm{NdNi}{\mathrm{O}}_{3\ensuremath{-}x}$ and show that the process can precisely control the oxygen content in the films. Finally, we extend the reduction process to quintuple square-planar nickelates. Materials science ; Superconductivity ; Cuprate ; Valence (chemistry) ; Condensed matter physics ; Pairing ; Lattice constant ; Planar ; Crystal structure ; Crystallography ; Diffraction ; Physics ; Computer science ; Optics Magnetic and transport properties of perovskites and related materials ; Electronic and Structural Properties of Oxides ; Physics of Superconductivity and Magnetism