jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Jin Gao | Yuelei Bai | Haolong Fan | Guangping Song | Xiaocan Zou | Yongting Zheng | Xiaodong He
Source: Journal of the American Ceramic Society (article, 2023-03-31)
Field: Materials Science — Ceramics and Composites

Phase‐field simulation of microscale crack propagation/deflection in SiC <sub>f</sub> /SiC composites with weak interphase Abstract To understand the microscale toughening mechanism, the crack propagation, and stress–strain response of unidirectional SiC f /SiC composites with h‐BN interphase under transverse and longitudinal tension are investigated by a promising micromechanical phase field (PF) method along with representative volume element. Of much interest, the calculation results are well consistent with the available experimental results. With a strong dependence on the interphase strength, the toughening mechanisms during crack propagation are well presented, for example, fiber pull‐out, crack deflection, and interphase debonding. Furthermore, the longitudinal tensile strength of SiC f /SiC composites increases with decreasing the interphase strength, where only a weak enough interphase can result in a significant crack deflection by its cracking. In particular, the ratio of the interphase strength along fibers to the matrix strength should be less than 1.254 to ensure crack deflection in the interphase and fiber pull‐out. Moreover, the transverse tensile strength of SiC f /SiC composites reaches a maximum with increasing the interphase thickness into the range of 0.25–0.5 µm. Interphase ; Materials science ; Composite material ; Ultimate tensile strength ; Microscale chemistry ; Deflection (physics) ; Fracture mechanics ; Transverse plane ; Structural engineering Advanced ceramic materials synthesis ; Numerical methods in engineering ; Aluminum Alloys Composites Properties
Authors: Gökhan Hacisalihoglu | Paul R. Armstrong
Source: Plants (article, 2023-03-04)
Field: Chemistry — Analytical Chemistry

Crop Seed Phenomics: Focus on Non-Destructive Functional Trait Phenotyping Methods and Applications Seeds play a critical role in ensuring food security for the earth's 8 billion people. There is great biodiversity in plant seed content traits worldwide. Consequently, the development of robust, rapid, and high-throughput methods is required for seed quality evaluation and acceleration of crop improvement. There has been considerable progress in the past 20 years in various non-destructive methods to uncover and understand plant seed phenomics. This review highlights recent advances in non-destructive seed phenomics techniques, including Fourier Transform near infrared (FT-NIR), Dispersive-Diode Array (DA-NIR), Single-Kernel (SKNIR), Micro-Electromechanical Systems (MEMS-NIR) spectroscopy, Hyperspectral Imaging (HSI), and Micro-Computed Tomography Imaging (micro-CT). The potential applications of NIR spectroscopy are expected to continue to rise as more seed researchers, breeders, and growers successfully adopt it as a powerful non-destructive method for seed quality phenomics. It will also discuss the advantages and limitations that need to be solved for each technique and how each method could help breeders and industry with trait identification, measurement, classification, and screening or sorting of seed nutritive traits. Finally, this review will focus on the future outlook for promoting and accelerating crop improvement and sustainability. Phenomics ; Computer science ; Agricultural engineering ; Sustainability ; Hyperspectral imaging ; Traceability ; Biotechnology ; Biochemical engineering ; Artificial intelligence ; Agroforestry ; Environmental science ; Engineering ; Biology ; Genomics ; Ecology Spectroscopy and Chemometric Analyses ; Genetics and Plant Breeding ; Isotope Analysis in Ecology
Authors: Quentin Drouhet | Fabienne Touchard | Laurence Chocinski‐Arnault | David Mellier
Source: Composites Part B Engineering (article, 2023-06-20)
Field: Materials Science — Polymers and Plastics

3D strain fields in a plant fibre composite during fragmentation test: Micro-CT based DIC and DVC Materials science ; Composite number ; Digital image correlation ; Speckle pattern ; Composite material ; Tomography ; Homogeneous ; Fragmentation (computing) ; Matrix (chemical analysis) ; Strain (injury) ; Yarn ; Optics ; Computer science ; Mathematics ; Physics Natural Fiber Reinforced Composites ; Textile materials and evaluations ; Mechanical Behavior of Composites
Authors: Ali Tahaei | Giulio Biroli | Misaki Ozawa | Marko Popović | Matthieu Wyart
Source: Physical Review X (article, 2023-09-21)
Field: Materials Science — Materials Chemistry

Scaling Description of Dynamical Heterogeneity and Avalanches of Relaxation in Glass-Forming Liquids We provide a theoretical description of dynamical heterogeneities in glass-forming liquids, based on the premise that relaxation occurs via local rearrangements coupled by elasticity. In our framework, the growth of the dynamical correlation length e and of the correlation volume x4 are controlled by a zero-temperature fixed point. We connect this critical behavior to the properties of the distribution of local energy barriers at zero temperature. Our description makes a direct connection between dynamical heterogeneities and avalanche-type relaxation associated to dynamic facilitation, allowing us to relate the size distribution of heterogeneities to their time evolution. Within an avalanche, a local region relaxes multiple times; the more, the larger the avalanche. This property, related to the nature of the zero-temperature fixed point, directly leads to decoupling of particle diffusion and relaxation time (the so-called Stokes-Einstein violation). Our most salient predictions are tested and confirmed by numerical simulations of scalar and tensorial thermal elastoplastic models. Our most salient predictions are tested and confirmed by numerical simulations of scalar and tensorial thermal elasto-plastic models, and in agreement with molecular dynamic simulations. Statistical physics ; Scalar (mathematics) ; Physics ; Scaling ; Thermalisation ; Relaxation (psychology) ; Theoretical physics ; Mechanics ; Mathematics ; Quantum mechanics ; Geometry Material Dynamics and Properties ; Rheology and Fluid Dynamics Studies ; Phase Equilibria and Thermodynamics
Authors: Isabell Bludau | Charlotte Nicod | Claudia Martelli | Peng Xue | Moritz Heusel | Andrea Fossati | Federico Uliana | Fabian Frommelt | Ruedi Aebersold | Ben C. Collins
Source: Journal of Proteome Research (article, 2023-04-14)
Field: Chemistry — Spectroscopy

Rapid Profiling of Protein Complex Reorganization in Perturbed Systems Protein complexes constitute the primary functional modules of cellular activity. To respond to perturbations, complexes undergo changes in their abundance, subunit composition, or state of modification. Understanding the function of biological systems requires global strategies to capture this contextual state information. Methods based on cofractionation paired with mass spectrometry have demonstrated the capability for deep biological insight, but the scope of studies using this approach has been limited by the large measurement time per biological sample and challenges with data analysis. There has been little uptake of this strategy into the broader life science community despite its rich biological information content. We present a rapid integrated experimental and computational workflow to assess the reorganization of protein complexes across multiple cellular states. The workflow combines short gradient chromatography and DIA/SWATH mass spectrometry with a data analysis toolset to quantify changes in a complex organization. We applied the workflow to study the global protein complex rearrangements of THP-1 cells undergoing monocyte to macrophage differentiation and subsequent stimulation of macrophage cells with lipopolysaccharide. We observed substantial proteome reorganization on differentiation and less pronounced changes in macrophage stimulation. We establish our integrated differential pipeline for rapid and state-specific profiling of protein complex organization. Proteome ; Profiling (computer programming) ; Computational biology ; Proteomics ; Workflow ; Systems biology ; Chemistry ; Protein subunit ; Biology ; Cell biology ; Computer science ; Biochemistry ; Database ; Gene Advanced Proteomics Techniques and Applications ; Mass Spectrometry Techniques and Applications ; Enzyme Structure and Function
Authors: Xiaojin Wang | Mikkel Baldtzer Liisberg | Georgia L. Nolt | Xu Fu | Cecilia Cerretani | Lan Li | Lance A. Johnson | Tom Vosch | Christopher I. Richards
Source: ACS Nano (article, 2023-06-21)
Field: Materials Science — Materials Chemistry

DNA-AgNC Loaded Liposomes for Measuring Cerebral Blood Flow Using Two-Photon Fluorescence Correlation Spectroscopy Unraveling the transport of drugs and nanocarriers in cerebrovascular networks is important for pharmacokinetic and hemodynamic studies but is challenging due to the complexity of sensing individual particles within the circulatory system of a live animal. Here, we demonstrate that a DNA-stabilized silver nanocluster (DNA-Ag<sub>16</sub>NC) that emits in the first near-infrared window upon two-photon excitation in the second NIR window can be used for multiphoton <i>in vivo</i> fluorescence correlation spectroscopy for the measurement of cerebral blood flow rates in live mice with high spatial and temporal resolution. To ensure bright and stable emission during <i>in vivo</i> experiments, we loaded DNA-Ag<sub>16</sub>NCs into liposomes, which served the dual purposes of concentrating the fluorescent label and protecting it from degradation. DNA-Ag<sub>16</sub>NC-loaded liposomes enabled the quantification of cerebral blood flow velocities within individual vessels of a living mouse. Fluorescence correlation spectroscopy ; Fluorescence ; Liposome ; Materials science ; Spectroscopy ; Biophysics ; DNA ; In vivo ; Temporal resolution ; Fluorescence spectroscopy ; Nanocarriers ; Two-photon excitation microscopy ; Near-infrared spectroscopy ; Biomedical engineering ; Chemistry ; Nanotechnology ; Optics ; Biology ; Drug delivery ; Physics ; Medicine Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: M. E. Mohamed | Adel Ouannas | E. Khamis
Source: Scientific Reports (article, 2023-06-10)
Field: Materials Science — Surfaces, Coatings and Films

Fabrication of biochar-based superhydrophobic coating on steel substrate and its UV resistance, anti-scaling, and corrosion resistance performance In this study, we report an eco-friendly and facile process for the synthesis of biochar, BC, and a cobalt-biochar nanocomposite, Co-BC, using rice straw biomass. We constructed two superhydrophobic coatings on steel substrates using potentiostatic electrodeposition of nickel-modified biochar, Ni@BC, and nickel modified by cobalt-biochar nanocomposite, Ni@Co-BC, then, these coatings were soaked in an ethanolic stearic acid solution. Fourier transform infrared spectroscopy showed that the stearic acid-grafted Ni@BC coating, Ni@BC@SA, and the stearic acid-grafted Ni@Co-BC composite, Ni@Co-BC@SA, were well grafted on the steel surface. Scanning electron microscopy revealed that the superhydrophobic coatings have nanoscale features. Atomic force microscopy results showed that the Ni@Co-BC@SA coat had higher roughness than Ni@BC@SA, resulting in higher superhydrophobicity. The water contact angles for Ni@BC@SA and Ni@Co-BC@SA coatings were 161° and 165°, respectively, while the values of water sliding angles for both coatings were 3.0° and 1.0°, respectively. Quantitative estimation of the scale inhibition efficiency revealed that the Ni@Co-BC@SA coating exhibited greater efficiency compared to the Ni@BC@SA coating. Additionally, the Ni@Co-BC@SA coating demonstrated improved corrosion resistance, UV resistance, mechanical abrasion resistance, and chemical stability compared to the Ni@BC@SA coating. These results highlight the superior performance of the Ni@Co-BC@SA coating and its potential as a highly effective and durable superhydrophobic coating for steel substrates. Corrosion ; Biochar ; Substrate (aquarium) ; Fabrication ; Coating ; Materials science ; Scaling ; Metallurgy ; Composite material ; Nanotechnology ; Chemical engineering ; Biology ; Engineering Surface Modification and Superhydrophobicity ; Advanced Sensor and Energy Harvesting Materials ; Electrospun Nanofibers in Biomedical Applications
Authors: Namrata Singh | G. R. Sherin | Govindasamy Mugesh
Source: Angewandte Chemie (article, 2023-04-21)
Field: Materials Science — Materials Chemistry

Antioxidant and Prooxidant Nanozymes: From Cellular Redox Regulation to Next‐Generation Therapeutics Abstract Nanozymes, nanomaterials with enzyme‐mimicking activity, have attracted tremendous interest in recent years owing to their ability to replace natural enzymes in various biomedical applications, such as biosensing, therapeutics, drug delivery, and bioimaging. In particular, the nanozymes capable of regulating the cellular redox status by mimicking the antioxidant enzymes in mammalian cells are of great therapeutic significance in oxidative‐stress‐mediated disorders. As the distinction of physiological oxidative stress (oxidative eustress) and pathological oxidative stress (oxidative distress) occurs at a fine borderline, it is a great challenge to design nanozymes that can differentially sense the two extremes in cells, tissues and organs and mediate appropriate redox chemical reactions. In this Review, we summarize the advances in the development of redox‐active nanozymes and their biomedical applications. We primarily highlight the therapeutic significance of the antioxidant and prooxidant nanozymes in various disease model systems, such as cancer, neurodegeneration, and cardiovascular diseases. The future perspectives of this emerging area of research and the challenges associated with the biomedical applications of nanozymes are described. Oxidative stress ; Chemistry ; Antioxidant ; Nanotechnology ; Redox ; Biochemistry ; Materials science Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Nanoparticles: synthesis and applications
Authors: Fatma Fouad Hagar | Samar H. Abbas | Hesham A. M. Gomaa | Bahaa G. M. Youssif | Ahmed M. Sayed | Dalia Abdelhamid | Mohamed Abdel‐Aziz
Source: BMC Chemistry (article, 2023-09-16)
Field: Chemistry — Organic Chemistry

Chalcone/1,3,4-Oxadiazole/Benzimidazole hybrids as novel anti-proliferative agents inducing apoptosis and inhibiting EGFR &amp; BRAFV600E Compounds 7k-m could be used as potential apoptotic anti-proliferative agents upon further optimization. Chalcone ; Apoptosis ; XIAP ; Benzimidazole ; Caspase ; IC50 ; Chemistry ; EGFR inhibitors ; Cancer research ; Pharmacology ; Biology ; Biochemistry ; Epidermal growth factor receptor ; Programmed cell death ; In vitro ; Stereochemistry ; Receptor Synthesis and biological activity ; Cancer therapeutics and mechanisms ; Cell death mechanisms and regulation
Authors: Yuhan Lu | Si‐Yu Mu | Jun Jiang | Min‐Hang Zhou | Chao Wu | Hong‐Tao Ji | Wei‐Min He
Source: ChemSusChem (article, 2023-09-20)
Field: Chemistry — Organic Chemistry

Paraformaldehyde as C1 Synthon: Electrochemical Three‐Component Synthesis of Tetrahydroimidazo[1,5‐<i>a</i>]quinoxalin‐4(5<i>H</i>)‐ones in Aqueous Ethanol Abstract A green and practical method for the electrochemical synthesis of tetrahydroimidazo[1,5‐ a ]quinoxalin‐4(5 H )‐ones through the three‐component reaction of quinoxalin‐2(1 H )‐ones, N ‐arylglycines and paraformaldehyde was reported. In this strategy, EtOH played dual roles (eco‐friendly solvent and waste‐free pre‐catalyst) and the in situ generated ethoxide promoted triple sequential deprotonations. Paraformaldehyde ; Synthon ; Chemistry ; Catalysis ; Electrochemistry ; Aqueous solution ; Solvent ; Ethanol ; Combinatorial chemistry ; Organic chemistry ; Electrode ; Physical chemistry Synthesis and Biological Evaluation ; Multicomponent Synthesis of Heterocycles ; Catalytic C–H Functionalization Methods
Authors: Wei Zhang | Jingjing Hu | Rui Liu | Jun Dai | Lizhen Yuan | Yiheng Liu | Bochao Chen | Mingxing Gong | Fan Xia | Xiaoding Lou
Source: Advanced Science (article, 2023-02-15)
Field: Materials Science — Biomaterials

A Peptide‐Conjugated Probe with Cleavage‐Induced Morphological Change for Treatment on Tumor Cell Membrane Despite the promising advancements of in situ forming nanoassembly for the inhibition of tumor growth and metastasis, the lack of sufficient triggering sites and hardly controlling the forming position restrict their further developments. Herein, a smart transformable peptide-conjugated probe (DMFA) with enzyme cleavage-induced morphological change is designed for treatment on the tumor cell membrane. Specifically, after self-assembling into nanoparticles and anchoring on the cell membrane with sufficient interaction sites rapidly and stably, DMFA will be efficiently cleaved into α-helix forming part (DP) and β-sheet forming part (LFA) by overexpressed matrix metalloproteinase-2. Thus, the promoted Ca<sup>2+</sup> influx by DP-induced cell membrane breakage and decreased Na<sup>+</sup> /K<sup>+</sup> -ATPase activity by LFA-assembled nanofibers wrapping the cells can inhibit PI3K-Akt signaling pathway, leading to the inhibition of tumor cell growth and metastasis. This peptide-conjugated probe undergoes in situ morphological transformation on the cell membrane, exhibiting great potential in tumor therapy. Peptide ; Conjugated system ; Membrane ; Biophysics ; Chemistry ; Cleavage (geology) ; Cell ; Cell membrane ; PI3K/AKT/mTOR pathway ; Cell biology ; Matrix metalloproteinase ; Cell growth ; Biochemistry ; Materials science ; Signal transduction ; Biology Supramolecular Self-Assembly in Materials ; Peptidase Inhibition and Analysis ; Advanced biosensing and bioanalysis techniques
Authors: Cecil Evers | Britannia Vondrasek | Claire Jolowsky | Jin Gyu Park | Michael W. Czabaj | Bailee Ku | Kaylee Thagard | Gregory M. Odegard | Zhiyong Liang
Source: ACS Applied Nano Materials (article, 2023-06-16)
Field: Materials Science — Materials Chemistry

Scalable High Tensile Modulus Composite Laminates Using Continuous Carbon Nanotube Yarns for Aerospace Applications An approach is established for fabricating high-strength and high-stiffness composite laminates with continuous carbon nanotube (CNT) yarns for scaled-up mechanical tests and potential aerospace structure applications. Continuous CNT yarns with up to 80% degree of nanotube alignment and a unique self-assembled graphitic CNT packing result in their specific tensile strengths of 1.77 ± 0.07 N/tex and an apparent specific modulus of 92.6 ± 3.2 N/tex. Unidirectional CNT yarn reinforced composite laminates with a CNT concentration of greater than 80 wt % and minimal microscale voids are fabricated using filament winding and aerospace-grade resin matrices. A specific tensile strength of up to 1.71 GPa/(g cm<sup>-3</sup>) and specific modulus of 256 GPa/(g cm<sup>-3</sup>) are realized; the specific modulus exceeds current state-of-the-art unidirectional carbon fiber composite laminates. The specific modulus of the laminates is 2.76 times greater than the specific modulus of the constituent CNT yarns, a phenomenon not observed in carbon fiber reinforced composites. The results demonstrate an effective approach for fabricating high-strength CNT yarns into composites for applications that require specific tensile modulus properties that are significantly beyond state-of-the-art carbon fiber composites and potentially open an unexplored performance region in the Ashby chart for composite material applications. Aerospace ; Materials science ; Carbon nanotube ; Composite material ; Ultimate tensile strength ; Composite number ; Modulus ; Young's modulus ; Aerospace engineering ; Engineering Carbon Nanotubes in Composites ; Material Properties and Applications ; Additive Manufacturing and 3D Printing Technologies
Authors: Hongshan Wang | Xueting Pan | Wang Zhao | Yu Chu | Junjie Li
Source: Inorganic Chemistry Frontiers (article, 2023-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

A new infrared nonlinear optical material BaZnGeS<sub>4</sub> with a wide band gap and large nonlinear optical response Based on the “electronic structure engineering bucket effect”, a new AEM-containing sulfide BaZnGeS 4 with a wide band gap (∼3.36 eV) and large SHG response ( ∼ 0.8× AGS) has been designed and synthesized via high-temperature solid-state reactions. Nonlinear optical ; Band gap ; Infrared ; Nonlinear system ; Materials science ; Solid-state ; Sulfide ; Optoelectronics ; Electronic band structure ; Optics ; Physics ; Condensed matter physics ; Engineering physics ; Metallurgy ; Quantum mechanics Crystal Structures and Properties ; Chalcogenide Semiconductor Thin Films ; Quantum Dots Synthesis And Properties
Authors: Ali Afzal | Mohammed Jalalah | Abid Noor | Zubair Khaliq | Muhammad Bilal Qadir | Rashid Masood | Ahsan Nazir | Sheraz Ahmad | Faheem Ahmad | Muhammad Irfan | Munazza Afzal | M. Faisal | Saeed A. Alsareii | Farid A. Harraz
Source: Polymers (article, 2023-03-08)
Field: Materials Science — Biomaterials

Development and Characterization of Drug Loaded PVA/PCL Fibres for Wound Dressing Applications Nowadays, synthetic polymers are used in medical applications due to their special biodegradable, biocompatible, hydrophilic, and non-toxic properties. The materials, which can be used for wound dressing fabrication with controlled drug release profile, are the need of the time. The main aim of this study was to develop and characterize polyvinyl alcohol/polycaprolactone (PVA/PCL) fibres containing a model drug. A dope solution comprising PVA/PCL with the drug was extruded into a coagulation bath and became solidified. The developed PVA/PCL fibres were then rinsed and dried. These fibres were tested for Fourier transform infrared spectroscopy, linear density, topographic analysis, tensile properties, liquid absorption, swelling behaviour, degradation, antimicrobial activity, and drug release profile for improved and better healing of the wound. From the results, it was concluded that PVA/PCL fibres containing a model drug can be produced by using the wet spinning technique and have respectable tensile properties; adequate liquid absorption, swelling %, and degradation %; and good antimicrobial activity with the controlled drug release profile of the model drug for wound dressing applications. Polyvinyl alcohol ; Polycaprolactone ; Materials science ; Swelling ; Ultimate tensile strength ; Polymer ; Composite material ; Fourier transform infrared spectroscopy ; Spinning ; Biodegradable polymer ; Chemical engineering ; Absorption (acoustics) Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments ; Surgical Sutures and Adhesives