jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Peng Yang
Source: Highlights in Science Engineering and Technology (article, 2023-11-29)
Field: Materials Science — Materials Chemistry

Nanomaterials in Aerospace: Advancements, Applications, and the Path Forward In recent decades, the aerospace sector has experienced significant advancements across various domains, including structural design, fuel efficiency, manufacturing methodologies, and safety protocols. Traditional materials, such as iron, copper, aluminum, and alloys, have become inadequate for the industry's escalating demands. Consequently, nanomaterials have emerged as a transformative solution, being integrated across numerous aerospace applications. These materials, distinguished by their unparalleled physical, chemical, and mechanical attributes at the nanoscale, have redefined aerospace manufacturing. This paper endeavors to elucidate the pivotal role of nanomaterials in aerospace, encompassing their characteristics, applications, potential challenges, and future trajectories, thereby offering a holistic perspective on their influence on the evolution of aviation and space exploration. The article delves into the aerospace sector's adoption of nanocomposites, nanocoatings, and nanomodified metals, resulting in enhanced structural strength, reduced weight, increased resilience to harsh environments, and novel approaches to addressing thermal management issues. Conclusively, despite the evident advantages of nanomaterials, issues related to scalability, consistent manufacturing, and environmental implications warrant attention. The establishment of regulatory guidelines and standardization is paramount for the safe assimilation of nanomaterials in aerospace. Aerospace ; Nanotechnology ; Systems engineering ; Risk analysis (engineering) ; Engineering ; Construction engineering ; Materials science ; Aerospace engineering ; Business Carbon Nanotubes in Composites ; Graphene research and applications ; Energetic Materials and Combustion
Authors: Mihai Asăndulesa | Ana‐Maria Solonaru | Ana-Maria Resmeriță | Andrei Honciuc
Source: Polymers (article, 2023-06-30)
Field: Materials Science — Polymers and Plastics

Thermal and Dielectric Investigations of Polystyrene Nanoparticles as a Viable Platform—Toward the Next Generation of Fillers for Nanocomposites Nanoparticles are often used as fillers for enhancing various properties of polymer composites such as mechanical, electrical, or dielectric. Among them, polymer nanoparticles are considered ideal contenders because of their compatibility with a polymer matrix. For this reason, it is important that they are synthesized in a surfactant-free form, to obtain predictable surface and structural properties. Here, we synthesized a series of polystyrene nanoparticles (PS NPs), by emulsion polymerization of styrene, using varying amounts of divinylbenzene as a crosslinking agent and sodium 4-vinylbenzenesulfonate as a copolymerizing monomer surfactant-"surfmer". Using "surfmers" we obtained surfactant-free nanoparticles that are monodisperse, with a high degree of thermal stability, as observed by scanning electron microscopy and thermogravimetric investigations. The prepared series of NPs were investigated by means of broadband dielectric spectroscopy and we demonstrate that by fine-tuning their chemical composition, fine changes in their dielectric and thermal properties are obtained. Further, we demonstrate that the physical transformations in the nanoparticles, such as the glass transition, can be predicted by performing the first derivative of dielectric permittivity for all investigated samples. The glass transition temperature of PS NPs appears to be inversely correlated with the dielectric permittivity and the average diameter of NPs. Materials science ; Polystyrene ; Nanoparticle ; Thermogravimetric analysis ; Glass transition ; Polymer ; Dispersity ; Chemical engineering ; Nanocomposite ; Dielectric ; Thermal stability ; Emulsion polymerization ; Polymerization ; Composite material ; Polymer chemistry ; Nanotechnology Polymer Nanocomposites and Properties ; Dielectric materials and actuators ; Polymer crystallization and properties
Authors: Harshyini Maheswaran | Sinouvassane Djearamane | Anto Cordelia Tanislaus Antony Dhanapal | Ling Shing Wong
Source: Journal of Experimental Biology and Agricultural Sciences (article, 2023-11-30)
Field: Materials Science — Materials Chemistry

Cytotoxic Study of Zinc Oxide Nanoparticles on Cervical Cancer Cell Line The advancement of nanomedicine drugs as an outcome of nanotechnology offers tremendous potential to enhance cancer-fighting tactics. Scientists have begun studying the role of NPs in immunotherapy, an area that is particularly beneficial in treating malignancies. Conventional treatment of cancer uses medications known as chemotherapy that frequently cause adverse effects on healthy tissues. Zinc is a vital micronutrient for the well-being of humans; therefore, nanomaterials such as zinc oxide nanoparticles (ZnO NPs) are progressively appealing as cutting-edge medical agents with implementations like anticancer properties. A bottom-up approach was utilized to chemically produce the ZnO NPs, which were characterized using Field Emission Scanning Electron Microscope (FESEM) and Energy Dispersive X-ray analysis (EDX). MTT assays have been carried out to study the cell viability percentage against multiple ZnO NPs concentrations and durations. The white ZnO NPs displayed a diverse morphology within the nanoscale range, featuring rod and spherical shapes. This synthesis was confirmed through EDX, which revealed distinct peaks corresponding to zinc and oxygen, affirming the formation of pure ZnO NPs. MTT assay data showed that ZnO NPs had a dose and time-dependent cytotoxicity against HeLa cells. This observation suggests that the ZnO NPs possess the potential to combat cancer and may hold promise for applications in biomedical research, particularly in the development of anticancer drugs. Nanomedicine ; HeLa ; Zinc ; MTT assay ; Nanotechnology ; Nanomaterials ; Nanoparticle ; Cytotoxicity ; Viability assay ; Materials science ; Cancer ; Cancer research ; Chemistry ; Medicine ; Cell ; Internal medicine ; Biochemistry ; In vitro ; Metallurgy Nanoparticles: synthesis and applications ; Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications
Authors: Tom Stavert | Siddharth V. Patwardhan | Robert Pilling | Miguel Jorge
Source: RSC Sustainability (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Unlocking the holy grail of sustainable and scalable mesoporous silica using computational modelling Enabling the design of silica materials with ordered and controllable pore structure using the principles of green and sustainable chemistry. Holy Grail ; Mesoporous silica ; Scalability ; Materials science ; Nanotechnology ; Computer science ; Mesoporous material ; Chemistry ; World Wide Web ; Organic chemistry ; Catalysis Mesoporous Materials and Catalysis ; Zeolite Catalysis and Synthesis ; Polyoxometalates: Synthesis and Applications
Authors: Kai Zhang | Chunguang Ban | Ye Yuan | Li Huang
Source: Journal of Microscopy (article, 2023-05-25)
Field: Materials Science — Surfaces, Coatings and Films

Optimized dopant imaging for GaN by a scanning electron microscopy Two-dimensional dopant profiling is vital for the modelling, design, diagnosis and performance improvement of semiconductor devices and related research and development. Scanning electron microscopy (SEM) has shown great potential for dopant profiling. In this study, the effects of secondary electron (SE) detectors and imaging parameters on the contrast imaging of multilayered p-n and p-i junction GaN specimens via SEM were studied to enable dopant profiling. The doping contrast of the image captured by the in-lens detector was superior to that of the image captured by the side-attached Everhart-Thornley detector at lower acceleration voltages (V<sub>acc</sub> ) and small working distances (WD). Furthermore, the doping contrast levels of the in-lens detector-obtained image under different combinations of V<sub>acc</sub> and WD were studied, and the underlying mechanism was explored according to local external fields and the refraction effect. The difference in the angular distributions of SEs emitted from different regions, the response of the three types of SEs to detectors, and the solid angles of detectors toward the specimen surface considerably influenced the results. This systematic study will enable the full exploitation of SEM for accurate dopant profiling, improve the analysis of the doping contrast mechanism, and further improve doping contrast for semiconductors. Dopant ; Doping ; Detector ; Scanning electron microscope ; Materials science ; Optics ; Secondary electrons ; Semiconductor ; Electron ; Microscopy ; Optoelectronics ; Profiling (computer programming) ; Physics ; Computer science Electron and X-Ray Spectroscopy Techniques ; Ga2O3 and related materials ; Semiconductor materials and devices
Authors: Jason Sun | Yu Chen | Joseph J. Marziale | Eric A. Walker | David Salač | James Chen
Source: Journal of the American Ceramic Society (article, 2023-05-19)
Field: Materials Science — Ceramics and Composites

Damage prediction of sintered α‐SiC using thermo‐mechanical coupled fracture model Abstract A three‐way coupled thermo‐mechanical fracture model is presented to predict the damage of brittle ceramics, in particular α‐SiC, over a wide range of temperatures (20–1400°C). Predicting damage over such a range of temperatures is crucial for thermal protection systems for many systems such as spacecraft. The model, which has been implemented in MOOSE, is divided into three modules: elasticity, damage phase field, and heat conduction. Analytical approaches for determining crack lengthscales are presented for both simple tension and simple shear. Validation tests are conducted for both flexural strength and fracture toughness over the specified range of temperatures. Flexural strength simulation results fall within the uncertainty region of the experimental data, and mode I fracture toughness simulation results are also in agreement with the experimental data. Mode II and mixed mode fracture toughness simulations results are presented with the modified G‐criterion. Finally, the parallel computing capabilities of the model are considered in various scalability tests. Fracture toughness ; Materials science ; Flexural strength ; Composite material ; Brittleness ; Ceramic ; Toughness ; Fracture (geology) ; Structural engineering ; Engineering Advanced ceramic materials synthesis ; Numerical methods in engineering ; Fatigue and fracture mechanics
Authors: Nicolás Antonio Ramos Ojeda | Matthias Kind
Source: Crystals (article, 2023-12-28)
Field: Materials Science — Materials Chemistry

Transferring Crystallization Conditions from Small to Larger Scale for Achieving Targeted Crystal Morphologies of an Active Pharmaceutical Ingredient Crystal morphology plays a critical role in the processability and physicochemical behavior of active pharmaceutical ingredients. Manipulating crystal morphology involves consideration of crystallization conditions such as temperature, supersaturation, and solvent choice. Typically, experimental screenings on a small scale are conducted to find targeted crystal morphologies. However, results from such small-scale experiments do not assure direct success at a larger scale, particularly if the small-scale setup differs significantly from a conventional stirred crystallizator. In this study, we successfully validated the morphologies observed in the small-scale experiments of an exemplary API, Bitopertin, when scaled up by a factor of 200, through the maintenance of identical process conditions and geometrical vessel relations. This successful scalability highlights the significant potential of small-scale crystallization studies to provide a reliable foundation for further exploration in large-scale endeavors. Crystallization ; Supersaturation ; Active ingredient ; Scale (ratio) ; Materials science ; Crystal (programming language) ; SCALE-UP ; Nanotechnology ; Solvent ; Process engineering ; Chemical engineering ; Computer science ; Chemistry ; Organic chemistry ; Engineering ; Physics ; Bioinformatics Crystallization and Solubility Studies ; Innovative Microfluidic and Catalytic Techniques Innovation ; Analytical Chemistry and Chromatography
Authors: Baissassou Debina | Abdelaziz Baçaoui | Aymard Didier Tamafo Fouégué | Kouotou Daouda | Abdoul Ntieche Rahman | Abdelrani Yaacoubi | Loura Benguellah Benoît
Source: Royal Society Open Science (article, 2023-10-01)
Field: Materials Science — Biomaterials

Hydrothermal carbonization of vegetable-tanned leather shavings (HTC-VTS) for environmental remediation: optimization of process conditions Herein, the response surface methodology (RSM) has been used to study simultaneously the effects of carbonization temperature, residence time and moisture content on the activated hydrochar preparation-based vegetable-tanned leather shavings (VTS) using hydrothermal carbonization method (HTC). Owing to the desirability chosen, three responses were analysed, namely: the hydrochar yield, iodine and methylene blue numbers. The analysis of experimental results revealed that the hydrochar yield was decreased with increase in carbonization temperature which led to micropores formation inside the hydrochar network. The optimal preparation conditions retained were: 83.10%, 390.44 mg g<sup>-1</sup> and 259.63 mg g<sup>-1</sup> for the hydrochar yield, iodine and methylene blue number respectively. The hydrochar micrograph showed the presence of external pores, whereas the FTIR analysis recorded the presence of acidic functional groups found on hydrochar surface. The findings revealed that the VTS is a good precursor for the hydrochar preparation useful in the removal of organic and inorganic pollutants in aqueous media. Hydrothermal carbonization ; Carbonization ; Methylene blue ; Chemistry ; Response surface methodology ; Yield (engineering) ; Chemical engineering ; Pulp and paper industry ; Materials science ; Nuclear chemistry ; Organic chemistry ; Chromatography ; Adsorption ; Composite material ; Catalysis Collagen: Extraction and Characterization ; Adsorption and biosorption for pollutant removal ; Pickering emulsions and particle stabilization
Authors: Mikhail Vasin | Vladimir Ankudinov
Source: Mathematical Methods in the Applied Sciences (article, 2023-03-18)
Field: Materials Science — Materials Chemistry

Competition of glass and crystal: Phase‐field model The phase‐field model for the description of the solidification processes with the glass‐crystal competition is suggested. The model combines the first‐order phase transition model in the phase‐field formalism and gauge‐field theory of glass transition. We present a self‐consistent system of stochastic motion equations for unconserved order parameters describing the crystal‐like short‐range ordering and vitrification. It is shown that the model qualitatively describes the glass‐crystal competition during quenching with finite cooling speed. The nucleation of the crystalline phase at slow cooling speeds and low undercoolings proceeds by a fluctuation mechanism. The model demonstrates the tendency to amorphization with the increase of its cooling rate. Nucleation ; Phase transition ; Crystal (programming language) ; Condensed matter physics ; Phase (matter) ; Thermodynamics ; Materials science ; Field (mathematics) ; Statistical physics ; Mathematics ; Physics ; Quantum mechanics Solidification and crystal growth phenomena ; Material Dynamics and Properties ; Metallic Glasses and Amorphous Alloys
Authors: FRANCISCO FELIPE DE MORAES FIDELES | Mauro Andrés Cerra Flórez | Maria Verônica Gonçalves Rodrigues | Jorge Luiz Cardoso | Clodualdo Aranas | Samuel Filgueiras Rodrigues | Marcos Natan da Silva Lima | Caio Victor Pereira Pascoal | Thiago Alves Moura | Gedeon Silva Reis | Eden S. Silva | Hamilton Ferreira Gomes de Abreu
Source: Metals (article, 2023-10-20)
Field: Materials Science — Materials Chemistry

Influence of the Morphology of Eutectoid Steels on Corrosion Resistance in NaCl Aqueous Medium with and without CO2 This study conducts a comparative electrochemical evaluation of three types of pearlitic steels used in flexible pipelines for oil transport in marine environments. The steels have been manufactured with chemical composition and geometry variations to optimize operation performance under adverse conditions. Electrochemical tests were conducted using solutions simulating marine environments with NaCl and CO2, and at high temperatures. The results indicated that spheroidized (SC) steel demonstrated the best corrosion resistance under these specific conditions. Additionally, the Raman spectroscopy characterization technique was used to analyze the layers of corrosion products formed during the tests, identifying the presence of FeCO3 (siderite) and other corrosive oxides. These discoveries are valuable for selecting and improving materials in flexible pipelines used in oil production in marine waters. The study highlights the importance of the cementite morphology present in pearlite as a relevant factor in the corrosive behavior of steels, contributing to the development of more efficient and durable solutions for the offshore oil and gas industry. Cementite ; Corrosion ; Pearlite ; Materials science ; Metallurgy ; Eutectic system ; Siderite ; Submarine pipeline ; Pipeline transport ; Raman spectroscopy ; Microstructure ; Environmental science ; Carbonate ; Austenite ; Environmental engineering ; Geology Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Juan Andrades-Lagos | Javier Campanini-Salinas | Gianfranco Sabadini | Víctor Andrade | Jaime Mella | David Vásquez
Source: Pharmaceuticals (article, 2023-11-17)
Field: Chemistry — Organic Chemistry

QSAR Studies, Synthesis, and Biological Evaluation of New Pyrimido-Isoquinolin-Quinone Derivatives against Methicillin-Resistant Staphylococcus aureus According to the WHO, antimicrobial resistance is among the top 10 threats to global health. Due to increased resistance rates, an increase in the mortality and morbidity of patients has been observed, with projections of more than 10 million deaths associated with infections caused by antibacterial resistant microorganisms. Our research group has developed a new family of pyrimido-isoquinolin-quinones showing antibacterial activities against multidrug-resistant <i>Staphylococcus aureus</i>. We have developed 3D-QSAR CoMFA and CoMSIA studies (r<sup>2</sup> = 0.938; 0.895), from which 13 new derivatives were designed and synthesized. The compounds were tested in antibacterial assays against methicillin-resistant <i>Staphylococcus aureus</i> and other bacterial pathogens. There were 12 synthesized compounds active against Gram-positive pathogens in concentrations ranging from 2 to 32 µg/mL. The antibacterial activity of the derivatives is explained by the steric, electronic, and hydrogen-bond acceptor properties of the compounds. Staphylococcus aureus ; Antimicrobial ; Antibacterial activity ; Methicillin-resistant Staphylococcus aureus ; Multiple drug resistance ; Steric effects ; Chemistry ; Microbiology ; Combinatorial chemistry ; Antibiotics ; Biology ; Stereochemistry ; Bacteria Synthesis and biological activity ; Computational Drug Discovery Methods ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Alessandro Pianelli | Rakesh Dhama | Jarosław Judek | Rafał Mazur | Hümeyra Çağlayan
Source: arXiv (Cornell University) (preprint, 2023-05-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Two-color all-optical switching in Si-compatible epsilon-near-zero hyperbolic metamaterials All-optical ultrafast switches enabled by artificial materials are considered at the forefront of the next generation of photonic communications and data processing. During the last two decades, the photonic applications, impact, and interest have tremendously increased in the framework of epsilon-near-zero (ENZ) photonics. Here, we experimentally propose a novel multilayered metamaterial utilizing Si-compatible titanium nitride and indium-tin-oxide materials. The device exhibits two effective ENZ wavelengths in the visible and near-infrared spectrum, with switching times down to a few hundred femtoseconds at the corresponding ENZ regions. This novel approach will bring ENZ metamaterials towards new hybrid integrated CMOS photonic circuit components for ultrafast all-optical terahertz modulation. Photonics ; Ultrashort pulse ; Metamaterial ; Optoelectronics ; Materials science ; Indium tin oxide ; Optical switch ; Terahertz radiation ; Optics ; Physics ; Nanotechnology ; Laser ; Thin film Metamaterials and Metasurfaces Applications ; Photonic and Optical Devices ; Photonic Crystals and Applications
Authors: G C Q da Silva | Jean-Marc Simon | J.M. Salazar
Source: Physical Chemistry Chemical Physics (article, 2023-01-01)
Field: Chemistry — Inorganic Chemistry

When less is more: does more Na<sup>+</sup>-cations mean more adsorption sites for toluene in faujasites? The unique properties of zeolites make them an interesting material to be used in separation processes. The possibility of tailoring some of their characteristics, like the Si/Al ratio, allows optimizing their synthesis for a given task. Concerning the adsorption of toluene by faujasites an understanding of the effect of cations is necessary to foster the elaboration of new materials, which can capture molecules with a high degree of selectivity and sensitivity. Undoubtedly, this knowledge is relevant for a wide range of applications going from the elaboration of technologies for improving the air-quality to diagnostic procedures to prevent health risks. The studies reported here using Grand Canonical Monte Carlo simulations elucidate the role of Na-cations in the adsorption of toluene by faujasites with different Si/Al ratios. They detail how the location of the cations inhibits or enhances the adsorption. The cations located at site II are shown to be those enhancing the adsorption of toluene on faujasites. Interestingly, the cations located at site III generate a hindrance at high loading. This becomes an impediment for the organization of toluene molecules inside faujasites. Toluene ; Adsorption ; Selectivity ; Molecule ; Chemistry ; Zeolite ; Faujasite ; Inorganic chemistry ; Chemical engineering ; Physical chemistry ; Catalysis ; Organic chemistry Zeolite Catalysis and Synthesis ; Catalysis and Oxidation Reactions ; Mesoporous Materials and Catalysis
Authors: Yuki Nakaya | Ayaka Tomita | Hiroshi Yamamura
Source: Talanta (article, 2023-12-18)
Field: Chemistry — Analytical Chemistry

Solid-phase fluorescence: Reproducibility and comparison with the solution states Chemistry ; Fluorescence ; Fluorescence spectroscopy ; Rhodamine ; Analytical Chemistry (journal) ; Spectroscopy ; Chromatography ; Phase (matter) ; Organic chemistry Analytical chemistry methods development ; Meat and Animal Product Quality ; Spectroscopy and Chemometric Analyses