jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yun He | Hua Huang | Minyu Fan | Z. F. Wang | Xiongwei Liu | Jie-Ge Huo
Source: Nanotechnology Reviews (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Fabrication and physicochemical characterization of copper oxide–pyrrhotite nanocomposites for the cytotoxic effects on HepG2 cells and the mechanism Abstract Novel CuO–FeS nanocomposites were synthesized to exert anticancer effects on HepG2 cells. The formation was initially demonstrated using UV–Visible spectrophotometry analysis, which indicated two peaks at 335 and 370 nm. Characteristic Fourier transform infrared spectroscopy peaks for Cu–O and Fe–S bonds were observed at 516, 577 and 619 cm −1 in addition to other notable peaks. The Miller indices correspond to the lattice spacing of monoclinic CuO and FeS as observed by selected area diffraction rings concurrent with the X-ray diffraction observations. The morphology was interpreted by scanning electron microscopy and transmission electron microscopy, indicating a particle size of 110 nm. As per energy-dispersive X-ray spectroscopy analysis, strong peaks for Cu (0.9, 8 and 9 keV), Fe (6–7 keV), O (0.5 keV) and S (2.5 keV) indicated the formation of CuO–FeS blend with no impurities. A mean particle size of 121.9 nm and polydispersity index of 0.150 were displayed by dynamic light scattering analysis and the zeta potential was −29.2 mV. The composites were not toxic to normal 3T3-L1 cells and were not haemolytic even at higher doses. In addition, the stable composites exerted cytotoxic effects on HepG2 cells (IC 50 = 250 ± 5.7 μg/mL) and induced cell death by creating a loss in mitochondrial membrane potential and induction of mitochondrial apoptosis in a ROS-independent manner. Dynamic light scattering ; Transmission electron microscopy ; Zeta potential ; Scanning electron microscope ; Fourier transform infrared spectroscopy ; Analytical Chemistry (journal) ; Spectroscopy ; Materials science ; Monoclinic crystal system ; Particle size ; Copper ; Infrared spectroscopy ; Nanoparticle ; Crystallography ; Chemistry ; Nanotechnology ; Chemical engineering ; Crystal structure ; Physical chemistry ; Organic chemistry ; Composite material Nanoparticles: synthesis and applications ; Nanoparticle-Based Drug Delivery ; Iron oxide chemistry and applications
Authors: Elena Mănăilă | Gabriela Crăciun | Ion Bogdan Lungu | Marius Dumitru | Stelescu Stelescu
Source: Materials (article, 2023-03-07)
Field: Materials Science — Polymers and Plastics

Degradation by Electron Beam Irradiation of Some Elastomeric Composites Sulphur Vulcanized Composites based on natural rubber and plasticized starch obtained by the conventional method of sulfur cross-linking using four types of vulcanization accelerators (Diphenyl guanidine, 2-Mercaptobenzothiazole, N-Cyclohexyl-2-benzothiazole sulfenamide, and Tetramethylthiuram disulfide) were irradiated with an electron beam in the dose range of 150 and 450 kGy for the purpose of degradation. The vulcanization accelerators were used in different percentages and combinations, resulting in four mixtures with different potential during the cross-linking process (synergistic, activator, or additive). The resulting composites were investigated before and after irradiation in order to establish a connection between the type of accelerator mixture, irradiation dose, and composite properties (gel fraction, cross-linking degree, water absorption, mass loss in water and toluene, mechanical properties, and structural and morphological properties). The results showed that the mixtures became sensitive at the irradiation dose of 300 kGy and at the irradiation dose of 450 kGy, and the consequences of the degradation processes were discussed. Vulcanization ; Irradiation ; Materials science ; Elastomer ; Composite material ; Sulfenamide ; Benzothiazole ; Natural rubber ; Degradation (telecommunications) ; Sulfur ; Mass fraction ; Composite number ; Chemistry ; Organic chemistry Polymer Nanocomposites and Properties ; Silicone and Siloxane Chemistry ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Gerson Márquez | V. Sagredo
Source:  (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Effect of the Substitution of Co by Ni on the Crystal Structure and Magnetic Properties of Cobalt Ferrite Nanoparticles &amp;lt;p&amp;gt;Ni1-xCoxFe2O4 (x = 1.0, 0.8, 0.6, and 0.5) nanoparticles were synthesized using the coprecipitation method and subsequent thermal treatment at 800 °C. The structural characterization of the nanoparticles was carried out using X-ray Diffraction, finding that all the compounds presented a single crystalline phase corresponding to the cubic spinel structure. As the concentration of Ni in the compounds increases, a decrease in the lattice parameter was obtained because of the fact that Ni2+ cations are smaller than Co2+. The size, morphology and dispersion of the nanoparticles were analyzed by Transmission Electron Microscopy, finding that the nanocompounds are formed by aggregates of nanoparticles with irregular shapes and mean particle sizes between 34 and 42 nm. The magnetic properties of CoFe2O4 and Co0.5Ni0.5Fe2O4 nanoparticles were studied from magnetization measurements as a function of temperature, in ZFC and FC modes, and magnetization measurements as a function of the applied magnetic field. It was obtained that the nanoparticles are in the blocked magnetic regime in the temperature range from 5 to 320 K. At 5 K, the compounds have large coercive fields of 10683 and 7518 Oe, for CoFe2O4 and Co0.5Ni0.5Fe2O4, respectively. It was found that the values of saturation magnetization, remanent magnetization, and coercive field decrease when replacing Co2+ by Ni2+ in Co ferrite, because the magnetic moments of divalent nickel cations are smaller than those of Co2+ cations.&amp;lt;/p&amp;gt; Cobalt ferrite ; Cobalt ; Materials science ; Ferrite (magnet) ; Nanoparticle ; Substitution (logic) ; Crystal structure ; Metallurgy ; Chemical engineering ; Crystallography ; Nanotechnology ; Composite material ; Computer science ; Chemistry ; Engineering Magnetic Properties and Synthesis of Ferrites
Authors: Denis A. Kostikov | M. N. Krakhalev | O. O. Prishchepa | V. Ya. Zyryanov
Source: Molecules (article, 2023-11-29)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrically Induced Structural Transformations of a Chiral Nematic under Tangential-Conical Boundary Conditions In this study, structural transformations induced by an electric field in the chiral nematic under tangential-conical boundary conditions have been considered. The composition influence of the orienting polymer films on the director tilt angles, the formation of orientational structures in the LC layer, as well as the electro-optical response and relaxation processes have been studied. It has been shown that the poly(tert-butyl methacrylate) concentration change in the orienting polymer mixture allows for smoothly controlling the director tilt angle without fixing its azimuthal orientation rigidly. Liquid crystal ; Tilt (camera) ; Conical surface ; Materials science ; Electric field ; Polymer ; Relaxation (psychology) ; Optics ; Azimuth ; Condensed matter physics ; Orientation (vector space) ; Chemical physics ; Chemistry ; Composite material ; Physics ; Optoelectronics ; Geometry Liquid Crystal Research Advancements ; Molecular spectroscopy and chirality ; Plant and animal studies
Authors: Déborah Braga Resende | Luara Aparecida Simões | Natalia Andrade Teixeira Fernandes | Lucas Baldo Luvizaro | Marali Vilela Dias | Diogo Teixeira Carvalho | Roberta Hilsdorf Píccoli | Rosane Freitas Schwan | Disney Ribeiro Dias
Source: Frontiers in Food Science and Technology (article, 2023-08-10)
Field: Materials Science — Biomaterials

Characterization of antimicrobial and antioxidant performance of dihydroeugenol and its glycoside incorporated into whey protein isolate films Bio-based plastics are gaining attention as environmentally friendly alternatives to traditional petroleum-based plastics in food packaging. Biodegradable films made from biocompatible macromolecules like polysaccharides and proteins offer promising solutions. This study investigated the effects of incorporating dihydroeugenol and glycoside into whey protein isolate (WPI) films to enhance their antimicrobial and antioxidant properties for food packaging. The findings showed that the glycoside film surpassed the dihydroeugenol film in inhibiting bacterial growth, forming larger inhibition halos against Escherichia coli , Staphylococcus aureus , Listeria monocytogenes, and Salmonella Enteritidis (inhibition halos ≥15 mm). The glycoside film exhibited superior effectiveness against Gram-positive bacteria, indicating enhanced penetration through their cell membranes. Additionally, the synthesized compounds significantly boosted the antioxidant activity of the films compared to the control film without dihydroeugenol and glycoside. With a relatively low solubility (23% ± 2.87% and 24% ± 3.92% for dihydroeugenol and glycoside, respectively), these films are suitable for packaging and safeguarding food products with medium to high humidity. This study concluded that incorporating dihydroeugenol and its glycoside into WPI films holds great promise for developing active packaging solutions in the food industry. These films offer both antibacterial and antioxidant properties, particularly advantageous for food products with medium to high humidity. Antimicrobial ; Food packaging ; Food science ; Active packaging ; Listeria monocytogenes ; Chemistry ; Antioxidant ; Glycoside ; Whey protein isolate ; Bacterial growth ; Polysaccharide ; Whey protein ; Food preservation ; Bacteria ; Biochemistry ; Organic chemistry ; Biology Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Microplastics and Plastic Pollution
Authors: Mykhailo Kovalenko | Vadim Chumack | Oksana Tymoshchuk | Volodymyr Bazenov | Yevhen Ihnatiuk | А. Стулішенко
Source: Eastern-European Journal of Enterprise Technologies (article, 2023-08-31)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Research of high-frequency remagnetization model in laminated magnetic cores of electromechanical and electromagnetic energy converters The object of research in the work is charged magnetic conductors of electric machines and transformers. Laminated magnetic wire together with windings are important active parts of electric machines that participate in electromechanical energy conversion. The reliability of the entire machine is mainly determined by the actual condition of the inter-sheet insulation. Violation of the insulation causes parasitic eddy current circuits, which increases the specific losses, and also significantly affects the additional heating of the magnet wire and winding. The normative method for determining the quality of the charged core is the assessment of specific losses at a frequency of 50 Hz and an induction of 1 T, which should not exceed 2.5–4 W/kg. To determine local damage to the core, methods of local heating and fixation of overheating sites are used, which should not exceed 45 °C compared to the main part of the magnetic core. In the work, a two-dimensional field mathematical model of a charged magnetic circuit is developed. This makes it possible to carry out electromagnetic calculations in a near-real magnetic conductor, taking into account the variability of magnetic permeability, hysteresis, and the interaction of currents in adjacent plates of the magnetic conductor with each other, the so-called "proximity effect". On the basis of the developed models, graphs of current distribution and distribution of magnetic induction in one, two and three sheets were obtained. The resulting graphs show how the effect of current displacement increases with increasing frequency, where at a frequency of 100 kHz the magnetic induction density in the middle of the sheet goes to zero. The results of the research confirm the correctness of the model development in comparison with the classical calculation models also given, which allows them to be used for further research of high-frequency processes in charged magnetic circuits of electric machines Eddy current ; Electromagnetic induction ; Electromagnetic coil ; Conductor ; Magnetic core ; Magnetic field ; Ferrite core ; Magnetic energy ; Magnet ; Electrical conductor ; Mechanics ; Magnetic reactance ; Materials science ; Magnetic circuit ; Transformer ; Vibration ; Acoustics ; Nuclear magnetic resonance ; Electrical engineering ; Physics ; Magnetization ; Voltage ; Engineering ; Composite material Magnetic Properties and Applications ; Diverse Industrial Engineering Technologies ; Electric Power Systems and Control
Authors: Esther Heid | Daniel Probst | William H. Green | Georg K. H. Madsen
Source: ChemRxiv (preprint, 2023-08-30)
Field: Materials Science — Materials Chemistry

EnzymeMap: Curation, validation and data-driven prediction of enzymatic reactions Enzymatic reactions are an ecofriendly, selective and versatile addition, sometimes even alternative to organic reactions for the synthesis of chemical compounds such as pharmaceuticals or fine chemicals. To identify suitable reactions, computational models to predict the activity of enzymes on non-native substrates, to perform retrosynthetic pathway searches, or to predict the outcomes of reactions including regio- and stereoselectivity are becoming increasingly important. However, current approaches are substantially hindered by the limited amount of available data, especially if balanced and atom mapped reactions are needed and if the models feature machine learning components. We therefore constructed a high-quality dataset (EnzymeMap) by developing a large set of correction and validation algorithms for recorded reactions in the literature and showcase its significant positive impact on machine learning models of retrosynthesis, forward prediction, and regioselectivity prediction, outperforming previous approaches by a large margin. Our dataset allows for deep learning models of enzymatic reactions with unprecedented accuracy, and is freely available online. Retrosynthetic analysis ; Computer science ; Artificial intelligence ; Machine learning ; Regioselectivity ; Margin (machine learning) ; Training set ; Biochemical engineering ; Chemistry ; Engineering ; Stereochemistry ; Organic chemistry Machine Learning in Materials Science ; Chemical Synthesis and Analysis ; Computational Drug Discovery Methods
Authors: Camilla L. Nielsen | Rosana M. Turtos | Mads L. Jensen | Brian Julsgaard | Péter Balling
Source: Journal of Luminescence (article, 2023-06-28)
Field: Materials Science — Materials Chemistry

Flow synthesized LiBaF3 nanocubes as a promising optically stimulated luminescence phosphor Integrating dosimeters are used in fields like personal dosimetry and radiotherapy quality assurance. Nanoparticles of LiBaF3 have been synthesized using a low-cost, high-throughput flow-synthesis setup and are found to be crystallographically phase-pure. Their radioluminescence (RL) emission shows three peaks corresponding to core-valence-band luminescence, self-trapped-exciton luminescence, and possibly impurity-related violet emission. Optically- and thermally stimulated luminescence (OSL and TL, respectively) overlap spectrally and show only the low-energy violet band, indicating a common luminescence pathway. The rapidly read-out OSL signal is linear in dose up to ∼1 kGy. The main TL glow peak, found around 120 ∘C, is depleted by optical stimulation, and similarly the OSL signal disappears following a TL readout. The thermal trap depth is found by the peak position method to be ∼1 eV. The high OSL light yield and reasonable fading of the nanoparticles qualifies them as an excellent candidate for OSL dosimetry. Phosphor ; Luminescence ; Photoluminescence ; Materials science ; Flow (mathematics) ; Chemical engineering ; Optoelectronics ; Chemistry ; Nanotechnology ; Physics ; Mechanics Luminescence Properties of Advanced Materials ; Radiation Shielding Materials Analysis ; Radiation Detection and Scintillator Technologies
Authors: Luigi Calabrese | E. Proverbio
Source: Coatings (article, 2023-03-10)
Field: Materials Science — Surfaces, Coatings and Films

Special Issue “Recent Developments on Functional Coatings for Industrial Applications, Volume II” “Recent Developments on Functional Coatings for Industrial Applications, Volume II” addresses the provision of further insights into new and emerging research assets concerning the design, manufacturing, characterization and optimization of functional coatings for industrial applications. The aim of this Issue is to further contribute to the improvement of knowledge on functional coatings synthesis, characterization and tailoring, emphasizing its emerging industrial applicability in several industrial fields. The multidisciplinary nature of the theme represents a further stimulus aimed at enhancing the applicative importance and the technological versatility of the engineering design of functional surfaces. A multidisciplinary approach will act as a further stimulus in encouraging researchers to exploit suitably the applicative relevance and adaptability of functional coating and surface engineering design and tailoring. Exploit ; Multidisciplinary approach ; Adaptability ; Nanotechnology ; Computer science ; Systems engineering ; Coating ; Risk analysis (engineering) ; Management science ; Engineering ; Biochemical engineering ; Engineering ethics ; Manufacturing engineering ; Materials science ; Business ; Political science Surface Modification and Superhydrophobicity ; Silicone and Siloxane Chemistry ; Aerogels and thermal insulation
Authors: Vinaya B. Ghodake | Rupesh A. Khare | S. T. Mhaske
Source: Cellulose Chemistry and Technology (article, 2023-07-20)
Field: Materials Science — Biomaterials

A SIMPLE APPROACH TOWARDS TUNING MORPHOLOGY OF MICROCRYSTALLINE CELLULOSE Microcrystalline cellulose (MCC) is a purified cellulose derivative. It is a white, highly oriented form of cellulose most commonly used in food, cosmetic, and pharmaceutical industries due to its advantageous properties of high crystallinity, large surface area, good compressibility etc. MCC is a high value added material that is widely used in pharmaceutical companies. For such applications, a large surface area of MCC is important. In this study, MCC was prepared from cellulosic fibres with a specific cross-section, i.e. trilobal, to produce trilobal microcrystalline cellulose (TMCC), which has a large surface area. This MCC is produced by a simple acid hydrolysis process. The process parameters in the production of MCC were optimised to maintain the cross-sectional shape of the fibres, even after conversion to MCC. The obtained MCC was characterized by various analytical techniques, such as Fourier transform-infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), B.E.T surface and X-ray diffraction (XRD) analyses. The cross and longitudinal morphology of the produced MCC was confirmed by scanning electron microscopy (SEM). The study shows that strong hydrolysis conditions, such as higher temperatures of 50 to 55 °C, lead to distortion of the cross-section, while lower reaction temperatures, i.e. 25 to 30 °C, help maintain a trilobal morphology. It was also found that the thermal stability of TMCC is higher, compared to that of regular MCC. The maximum decomposition temperature of TMCC was 304 °C, while it was 270 °C for regular MCC. The crystallinity index of all MCC was in a similar range. In addition, the water retention value (WRV) of TMCC was higher than that of circular MCC, indicating effectiveness of the increased surface area. The maximum WRV for MCC and TMCC was 66 and 85%, respectively. Microcrystalline cellulose ; Crystallinity ; Cellulose ; Thermogravimetric analysis ; Chemical engineering ; Chemistry ; Fourier transform infrared spectroscopy ; Scanning electron microscope ; Thermal stability ; Materials science ; Composite material ; Organic chemistry Advanced Cellulose Research Studies ; Biofuel production and bioconversion ; biodegradable polymer synthesis and properties
Authors: Mingyang Wang | Yao Zhang | Congzhao Xue | Boxue Du | Yunqi Xing
Source: IEEE Access (article, 2023-01-01)
Field: Materials Science — Materials Chemistry

Effects of Ferromagnetic Nanoparticles and Fluorination on Breakdown of SiR/Fe<sub>3</sub> O<sub>4</sub> Nanocomposites in High Magnetic Field High magnetic field causes premature failure of insulation. In order to improve the breakdown strength of silicone rubber (SiR), different filler contents of ferroferric oxide (Fe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</sub> ) nanoparticles were added. Experimental results show that 1 wt% addition amount of ferromagnetic nanoparticles is beneficial to improve the AC breakdown strength of SiR by 5.40% in 12 T magnetic field due to their ability to regulate dielectric polarization and partial discharge (PD) behavior, resulting from the relative higher permittivity and permeability of Fe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</sub> . Magnetization of Fe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</sub> nanoparticles results in 3.33% decrease of DC breakdown strength with 2 wt% filler content in 12 T magnetic field. Fluorination treatment was carried out and proved to be able to improve the DC breakdown strength of SiR/Fe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</sub> nanocomposites by 8.84% in 12 T magnetic field with the treatment time being 5 minutes, resulting from the regulation of surface traps. Fluorination treatment weakened the magnetism of nanoparticles, weakening their regulation on insulation polarization and PD. Adding an appropriate amount of ferromagnetic nanoparticles before the fluorination of SiR/Fe <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</sub> O <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">4</sub> nanocomposites can improve the AC and DC breakdown strength by 0.64% and 8.81% respectively at the same time in high magnetic field. Nanoparticle ; Materials science ; Dielectric ; Magnetization ; Magnetic field ; Physics ; Nanotechnology ; Quantum mechanics ; Optoelectronics High voltage insulation and dielectric phenomena ; Electromagnetic wave absorption materials ; Diamond and Carbon-based Materials Research