jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Khalid Hamid | Nasir Ayub | Mohammad Amir Delshadi | Muhammad Ibrar | Nor Zairah Ab. Rahim | Yasir Mahmood | Muhammad Waseem Iqbal
Source: Indonesian Journal of Electrical Engineering and Computer Science (article, 2024-04-05)
Field: Materials Science — Materials Chemistry

Empowered corrosion-resistant products through HCP crystal network: a topological assistance Human computer interaction (HCI) aims to enhance product effectiveness and efficiency by empowering users. This research examines corrosion resistance in alloys, a concern due to technological advancements. Metals and alloys are susceptible to degradation, leading to functionality loss, structural collapse, and environmental contamination. Improving corrosion resistance is crucial for product efficiency. In this paper, HCI identifies requirements that emphasize taking an existing hexagonal closely packed (HCP) network, investigating the network for requirements in the form of vertices and edges, mapping different vertices and edges of the network graph with topological invariants, solving the network graph by invariants, and providing results for modeling and design of advanced networks and architectures. The HCI also ensures and investigates the optimization of results produced under the specifications. The study examines network graph results for irregularities, providing guidelines for engineers and manufacturers to create advanced alloy architectures with characteristics through mathematical and graphical methods. Corrosion ; Hexagonal crystal system ; Graph ; Product (mathematics) ; Computer science ; Distributed computing ; Topological graph ; Topology (electrical circuits) ; Materials science ; Engineering ; Theoretical computer science ; Mathematics ; Chemistry ; Metallurgy Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Product Development and Customization
Authors: Gianmarco Alfieri | Margherita Modesti | Andrea Bellincontro | Francesco Renzi | José Luis Aleixandre-Tudó
Source: Journal of the Science of Food and Agriculture (article, 2024-02-04)
Field: Chemistry — Analytical Chemistry

Feasibility assessment of a low‐cost visible spectroscopy‐based prototype for monitoring polyphenol extraction in fermenting musts Visible spectroscopy is already utilized for polyphenol analysis in winemaking but the aspiration to automate the process in wineries, particularly with low-cost devices, remains unrealized. This study investigates the feasibility of a low-cost and user-friendly spectrophotometer. The results indicate that, in the early stages of prototype utilization, the goal is attainable but requires further development and in-depth assessments. © 2024 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. Winemaking ; Wine ; Polyphenol ; Winery ; Process engineering ; Computer science ; Environmental science ; Food science ; Pulp and paper industry ; Biochemical engineering ; Chemistry ; Engineering Spectroscopy and Chemometric Analyses ; Fermentation and Sensory Analysis ; Horticultural and Viticultural Research
Authors: Jinhyung Lee | Wuxia Zhang | Thanh Danh Nguyen | Libo Zhou | Justin Amengual | Jin Zhai | Trystin Cote | Maxwell Landolina | Elham Ahmadi | Ian Sands | Neha Mishra | Hongchuan Yu | Mu‐Ping Nieh | Kepeng Wang | Ying Li | Yupeng Chen
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2024-01-27)
Field: Materials Science — Biomaterials

Computation-aided Design of Rod-Shaped Janus Base Nanopieces for Improved Tissue Penetration and Therapeutics Delivery Despite the development of various drug delivery technologies, there remains a significant need for vehicles that can improve targeting and biodistribution in "hard-to-penetrate" tissues. Some solid tumors, for example, are particularly challenging to penetrate due to their dense extracellular matrix (ECM). In this study, we have formulated a new family of rod-shaped delivery vehicles named Janus base nanopieces (Rod JBNps), which are more slender than conventional spherical nanoparticles, such as lipid nanoparticles (LNPs). These JBNp nanorods are formed by bundles of DNA-inspired Janus base nanotubes (JBNts) with intercalated delivery cargoes. To develop this novel family of delivery vehicles, we employed a computation-aided design (CAD) methodology that includes molecular dynamics and response surface methodology. This approach precisely and efficiently guides experimental designs. Using an ovarian cancer model, we demonstrated that JBNps markedly improve penetration into the dense ECM of solid tumors, leading to better treatment outcomes compared to FDA-approved spherical LNP delivery. This study not only successfully developed a rod-shaped delivery vehicle for improved tissue penetration but also established a CAD methodology to effectively guide material design. Janus ; Nanotechnology ; Drug delivery ; Penetration (warfare) ; Materials science ; Biodistribution ; Extracellular matrix ; Nanorod ; Biomedical engineering ; Computer science ; Chemistry ; Engineering ; In vivo ; Biology Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Ahmed Kotbi | M. Lejeune | Pierre Barroy | Ilham Hamdi Alaoui | Wiaam El Hakim | Frédéric Lamarque | A. Zeinert
Source: Photonics (article, 2024-11-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Low-Cost Optical Filters Based on SiOxCy:H and Ag Thin Films Fabricated by Plasma Enhanced Chemical Vapor Deposition and Sputtering Hexamethyldisiloxane (HMDSO) is an organosilicon compound with a modifiable bandgap, depending on the deposition conditions. This material has many unique properties due to its stability, low toxicity, and strong adhesion, making it useful as a protective barrier against corrosion, moisture, and oxidation. In this work, HMDSO films were deposited on glass substrates by the Plasma Enhanced Chemical Vapor Deposition (PECVD) technique at different deposition times. The optical properties of HMDSO films, such as dielectric permittivity, refractive index, extinction and absorption coefficients, and band gap energy, are inferred from transmission and reflection spectra. As the deposition time increased, the real part of the dielectric constant, the refractive index, and the bandgap energy showed a decrease, dropping from 4.24 to 3.40, from 2.06 to 1.84, and from 2.85 eV to 2.03 eV, respectively. The latter result is determined using classical models such as the O’Leary-Johnson-Lim (‘OJL’) interband transition and the harmonic oscillator model. HMDSO and Silver are used in this study for the fabrication of optical filters using two types of structures, a multiple cavity metal–dielectric (MCMD) and the Fabry–Perot structure. The silver layers are deposited by a sputtering process. The MCMD optical filter shows a higher transmittance of about 30%, but a wide range of wavelengths is transmitted. In contrast, the Fabry–Perot filter showed high contrast but a lower transmittance of about 20%. Materials science ; Refractive index ; Hexamethyldisiloxane ; Transmittance ; Band gap ; Sputtering ; Dielectric ; Plasma-enhanced chemical vapor deposition ; Molar absorptivity ; Thin film ; Sputter deposition ; Permittivity ; Optoelectronics ; Chemical vapor deposition ; Deposition (geology) ; High-refractive-index polymer ; Optics ; Analytical Chemistry (journal) ; Plasma ; Nanotechnology ; Chemistry Copper Interconnects and Reliability ; Thin-Film Transistor Technologies ; Optical Coatings and Gratings
Authors: Mónica Benito | Rosario Núñez | Sohini Sinha | Claudio Roscini | Yoan Hidalgo‐Rosa | Eduardo Schott | Ximena Zárate | Elı́es Molins
Source: CrystEngComm (article, 2024-01-01)
Field: Chemistry — Physical and Theoretical Chemistry

Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies This work provides new halogen-bonded cocrystals of methylxanthines with 1,4-diiodotetrafluorobenzene. Their crystal structures, thermal and photophysical properties combined with DFT calculations were studied. Halogen ; Chemistry ; Combinatorial chemistry ; Materials science ; Nanotechnology ; Organic chemistry Crystallography and molecular interactions ; Inorganic Fluorides and Related Compounds ; Chemical Thermodynamics and Molecular Structure
Authors: G. Suchaneck | Evgenii Artiukh | Gerald Gerlach
Source: Ceramics (article, 2024-04-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The Origin of the Low-Temperature Minimum of Electrical Resistivity in Strontium Ferromolybdate Ceramics In this work, we analyze the electrical behavior of strontium ferromolybdate below room temperature. We demonstrate that in SFMO ceramics, SFMO thin films deposited by pulsed laser deposition including (100) and (111) textured thin films, as well as in nonstoichiometric SFMO ceramics, an intergrain tunneling mechanism of charge carrier conduction leads to a decrease in resistivity with increasing temperature in the low-temperature region. This intergrain tunneling can be attributed to fluctuation-induced tunneling. On the other hand, bulk metallic resistivity of the grains, which increases with temperature, becomes dominant at higher temperatures and magnetic fluxes. The interplay of these conduction mechanisms leads to a resistivity minimum, i.e., a resistivity upturn below the temperature of minimum resistivity. Several mechanisms have been discussed in the literature to describe the low-temperature upturn in resistivity. Based on available literature data, we propose a revised model describing the appearance of a low-temperature resistivity minimum in SFMO ceramics by an interplay of fluctuation-induced tunneling and metallic conductivity. Additionally, we obtained that in the region of metallic conductivity at higher temperatures and magnetic fluxes, the pre-factor Rm of the temperature-dependent term of metallic conductivity written as a power law decreases exponentially with the temperature exponent m of this power law. Here, the value of m is determined by the charge scattering mechanism. Strontium ; Electrical resistivity and conductivity ; Ceramic ; Materials science ; Mineralogy ; Metallurgy ; Chemistry ; Electrical engineering ; Engineering Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics ; X-ray Diffraction in Crystallography
Authors: Anwar Algamal | Hossein Abedi | Umesh Gandhi | Othmane Benafan | Mohammad Elahinia | Ala Qattawi
Source: arXiv (Cornell University) (preprint, 2024-09-26)
Field: Materials Science — Materials Chemistry

Manufacturing, processing, applications, and advancements of Fe-based shape memory alloys Fe-based shape memory alloys (Fe-SMAs) belong to smart metallic materials that can memorize or restore their preset shape after experiencing a substantial amount of deformation under heat, stress, or magnetic stimuli. Fe-SMAs have remarkable thermomechanical properties and have attracted significant interest because of their potential merits, such as cost-effective alloying elements, superior workability, weldability, a stable superelastic response, and low-temperature dependence of critical stress required for stress-induced martensitic transformation. Therefore, Fe-SMAs can be an intriguing and economical alternative to other SMAs. The recent advancements in fabrication methods of conventional metals and SMAs are helping the production of customized powder composition and then customized geometries by additive manufacturing (AM). The technology in these areas, i.e., fabrication techniques, experimental characterization, and theoretical formulations of Fe-SMAs for conventional and AM has been rapidly advancing and is lacking a comprehensive review. This paper provides a critical review of the recent developments in Fe-SMAs-related research. The conventional and AM-based methods of producing Fe-SMAs are discussed, and a detailed review of the current research trends on Fe-SMAs including 4-D printing of Fe-SMAs are comprehensively documented. The presented review provides a comprehensive review of experimental methods and processes used to determine the material characteristics and features of Fe-SMAs. In addition, the work provides a review of the reported computational modeling of Fe-SMAs to help design new Fe-SMA composition and geometry. Finally, different Fe-SMAs-based applications such as sensing and damping systems, tube coupling, and reinforced concrete are also discussed. Materials science ; Shape-memory alloy ; Process engineering ; Computer science ; Metallurgy ; Engineering drawing ; Engineering Shape Memory Alloy Transformations ; Laser and Thermal Forming Techniques
Authors: Yuto Watanabe | Ceren Tayran | Md. Riad Kasem | Aichi Yamashita | M. Çakmak | Takayoshi Katase | Yoshikazu Mizuguchi
Source: Scientific Reports (article, 2024-11-14)
Field: Materials Science — Materials Chemistry

Specific heat analyses on optical-phonon-derived uniaxial negative thermal expansion system TrZr2 (Tr = Fe and Co1− xNix) A large uniaxial negative thermal expansion (NTE) along the c-axis has recently been observed in the transition metal (Tr) zirconides TrZr<sub>2</sub> with a tetragonal CuAl<sub>2</sub>-type structure. A recent study on FeZr₂ [M. Xu et al., Nat. Commun. 14, 4439 (2023)] suggests that optical phonons play a critical role in inducing the NTE along the c-axis. In this study, we investigate the thermophysical properties of TrZr₂ compounds (Tr = Fe and Co<sub>1- x</sub>Ni<sub>x</sub>(x = 0, 0.2, 0.4, 0.6, 0.8, 1)) using specific heat measurements, sound velocity data, and theoretical phonon calculations to achieve our aim of clarifying the contribution of optical phonons to the uniaxial NTE along the c-axis observed in both FeZr₂ and CoZr₂. We found that FeZr<sub>2</sub> shows a lattice-specific heat peak structure at 8.90 meV, which corresponds to optical phonon energy with a high population of negative Grüneisen parameter along the c-axis in the phonon dispersion curves in FeZr<sub>2</sub>. In an examination of a chemical substitution effect on the Co<sub>1- x</sub>Ni<sub>x</sub>Zr<sub>2</sub>, we found that the lattice-specific heat peak structure disappeared for x ≥ 0.4 and the oscillator intensity decreased. Phonon calculations revealed the existence of low-energy optical phonon branches at the Γ point for CoZr<sub>2</sub> and FeZr<sub>2</sub> with uniaxial NTE along the c-axis. However, the low-energy phonon branches were not found in NiZr<sub>2</sub> with uniaxial positive thermal expansion along the c-axis. The increase in phonon density of states near the above optical phonon energy in CoZr<sub>2</sub> and FeZr<sub>2</sub> is consistent with the lattice-specific heat analyses, and we propose that low-energy optical phonons are essential for the exhibiting of uniaxial NTE along the c-axis in TrZr<sub>2</sub>. Phonon ; Thermal expansion ; Specific heat ; Thermal ; Materials science ; Condensed matter physics ; Thermodynamics ; Physics ; Composite material Thermal Expansion and Ionic Conductivity ; Thermodynamic and Structural Properties of Metals and Alloys ; Rare-earth and actinide compounds
Authors: Peng Meng | Andreis Lau | Daigo Miyajima | Zheng Zhao | Parvej Alam | Zijie Qiu | Ben Zhong Tang
Source: Applied Physics Letters (article, 2024-03-04)
Field: Materials Science — Materials Chemistry

Modulating molecular aggregation of luminogens: Bridging the gap between solutions and solids In the past two decades, the advancement of aggregation-induced emission (AIE) has greatly advanced our understanding of organic luminescence and facilitated the application of organic luminescent materials. AIE luminogens (AIEgens) emit weakly in solutions but strongly in aggregated states. This significant difference in luminescence between solutions and aggregated states of AIEgens has shown that there is much to explore in the mesoscopic world (the intermediary phase). Accordingly, the research paradigm of aggregate science is proposed. The path to new aggregate materials relies not only on molecule syntheses but also on the control of molecular aggregation, which bridges the gap between solutions and solids. In this Perspective, we outline three general strategies for managing molecular aggregation to stimulate new ideas and provide guidance on controllable molecular aggregation. Bridging (networking) ; Chemical physics ; Chemistry ; Nanotechnology ; Materials science ; Computer science Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Photoreceptor and optogenetics research
Authors: Christian Jacinto Hernández | Raúl Medina | Ily Maza Mejía | Mario Hurtado Cotillo | Sabir Khan | Gino Picasso | Rosario López | Marı́a Del Pilar Taboada Sotomayor
Source: Polymers (article, 2024-05-08)
Field: Chemistry — Analytical Chemistry

Preparation of a Molecularly Imprinted Polymer on Polyethylene Terephthalate Platform Using Reversible Addition-Fragmentation Chain Transfer Polymerization for Tartrazine Analysis via Smartphone This work describes the preparation of a molecularly imprinted polymer (MIP) platform on polyethylene terephthalate (MIP-PET) via RAFT polymerization for analyzing tartrazine using a smartphone. The MIP-PET platform was characterized using Fourier transform infrared (FTIR) techniques, Raman Spectroscopy, X-ray photoelectron spectroscopy (XPS), and confocal microscopy. The optimal pH and adsorption time conditions were determined. The adsorption capacity of the MIP-PET plates with RAFT treatment (0.057 mg cm<sup>-2</sup>) was higher than that of the untreated plates (0.028 mg cm<sup>-2</sup>). The kinetic study revealed a pseudo-first-order model with intraparticle diffusion, while the isotherm study indicated a fit for the Freundlich model. Additionally, the MIP-PET demonstrated durability by maintaining its adsorption capacity over five cycles of reuse without significant loss. To quantify tartrazine, images were captured using a smartphone, and the RGB values were obtained using the ImageJ<sup>®</sup> free program. A partial least squares regression (PLS) was performed, obtaining a linear range of 0 to 7 mg L<sup>-1</sup> of tartrazine. The accuracy of the method was 99.4% (4.97 ± 0.74 mg L<sup>-1</sup>) for 10 samples of 5 mg L<sup>-1</sup>. The concentration of tartrazine was determined in two local soft drinks (14.1 mg L<sup>-1</sup> and 16.5 mg L<sup>-1</sup>), with results comparable to the UV-visible spectrophotometric method. Tartrazine ; Polyethylene terephthalate ; Molecularly imprinted polymer ; Adsorption ; Fourier transform infrared spectroscopy ; Polymerization ; Materials science ; Polymer ; Chemical engineering ; Chain transfer ; Nuclear chemistry ; Polymer chemistry ; Chemistry ; Analytical Chemistry (journal) ; Chromatography ; Organic chemistry ; Radical polymerization ; Composite material Dye analysis and toxicity ; Analytical chemistry methods development ; Electrochemical sensors and biosensors
Authors: Hoang Danh Nguyen | Arinah Jing Hui Tan | Ronjin Lee | W. Lim | Jia Yih Wong | Fadhlina Suhaimi
Source: Pest Management Science (article, 2024-09-18)
Field: Chemistry — Analytical Chemistry

Monitoring of plant diseases caused by <scp><i>Fusarium commune</i></scp> and <scp><i>Rhizoctonia solani</i></scp> in bok choy using hyperspectral remote sensing and machine learning Our findings highlight the potential of hyperspectral imaging as a highly precise early detection tool for fungal diseases in plants. © 2024 Society of Chemical Industry. Rhizoctonia solani ; Hyperspectral imaging ; Brassica rapa ; Fusarium ; Fusarium solani ; Horticulture ; Antifungal ; Biology ; Multilayer perceptron ; Artificial intelligence ; Botany ; Artificial neural network ; Microbiology ; Brassica ; Computer science Spectroscopy and Chemometric Analyses ; Plant Pathogens and Fungal Diseases ; Essential Oils and Antimicrobial Activity
Authors: Zhuldyz Sagdoldina | Daryn Baizhan | Laila Sulyubayeva | Nurbol Berdimuratov | Dastan Buitkenov | S.D. Bolatov
Source: Coatings (article, 2024-11-11)
Field: Materials Science — Materials Chemistry

Effect of Electrofriction Treatment on Microstructure, Corrosion Resistance and Wear Resistance of Cladding Coatings In recent years, the issue of increasing the wear resistance of the working bodies of agricultural machinery designed for cutting and breaking the soil has received special attention. The surface layers of working bodies of agricultural machinery during operation are subjected to intensive abrasive wear, which leads to rapid wear of equipment and a reduction in its service life. The induction cladding method using materials such as Sormait-1 is widely used to increase the wear resistance of tool working surfaces. However, after coating, additional heat treatment is required to improve the physical and mechanical properties of the material and increase its durability. In electrofriction technology (EFT) hardening, the surfaces of the parts are subjected to melting under the influence of electric arcs. In this work, three types of surface treatment of L53 steel have been investigated: induction cladding using Sormait-1, electrofriction treatment, and a combination of induction cladding followed by electrofriction treatment. The microstructure was analyzed using optical microscopy and scanning electron microscopy. Erosion and abrasion tests were carried out in accordance with ASTM G65 and ASTM G76-04 international standards to evaluate the wear resistance of the materials under mechanical stress. A dendritic structure was formed after the induction cladding of the Sormait-1 material, but subsequent electrofriction treatment resulted in a reduction of this dendritic structure, which contributed to an increase in the hardness of the material. However, the highest hardness, reaching 965 HV, was recorded after electrofriction treatment of L53 steel. This is explained by needle martensite in the structure, which is formed as a result of quenching. Further, the influence of structural characteristics and hardness on erosion and abrasion wear resistance was examined. The analysis showed that the material microstructure and hardness have a decisive influence on the improvement of wear resistance, especially under conditions of intensive erosion and abrasive friction. Microstructure ; Materials science ; Corrosion ; Wear resistance ; Cladding (metalworking) ; Metallurgy ; Composite material Metal Alloys Wear and Properties ; Surface Treatment and Coatings ; Advanced materials and composites