jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: RASHID MOMIN
Source:  (preprint, 2024-01-04)
Field: Materials Science — Materials Chemistry

Nuclear Reactor Safety: A Two-Layered Paradigm with a (Zr3Si2) Neutron Reflector and Bio shield in BWRX-300 SMR Integrating a (Zr3Si2) Composite Neutron Reflector and Concrete-Lead Alloy Bio shield in a Boiling Water SMR. This research demonstrates the potential of a dual-layered system to enhance safety in nuclear reactors, showcasing synergistic performance in neutron reflection and radiation absorption. The thick concrete-lead bio shield effectively contains neutrons formed during fission, maintaining optimal neutron economy. The study evaluates various composites for neutron reflection and supports the use of Zirconium-Silicon alloy due to its proven efficacy. The selected (Zr3Si2) composite-based neutron reflector ensures the containment and reflection of electrons during the fission process. The research delves into microstructure and phase diagrams of the alloys, emphasizing a meticulous rolling procedure in manufacturing for a uniformly integrated structure. Real-world applicability is highlighted within BWRX-300 SMR reactors. This work represents a significant step in fortifying safety standards and explores innovative solutions for neutron reflection in nuclear reactors. Neutron ; Reflector (photography) ; Nuclear engineering ; Reflection (computer programming) ; Materials science ; Neutron transport ; Neutron poison ; Neutron source ; Nuclear physics ; Neutron temperature ; Engineering ; Optics ; Physics ; Computer science Nuclear Materials and Properties ; Nuclear Physics and Applications ; Graphite, nuclear technology, radiation studies
Authors: Les Hotra | Oksana Boyko | Igor Helzhynskyy | Hryhorii Barylo | Marharyta Rozhdestvenska | Halyna Lastivka
Source: Informatyka Automatyka Pomiary w Gospodarce i Ochronie Środowiska (article, 2024-12-21)
Field: Chemistry — Physical and Theoretical Chemistry

FUNCTIONALLY INTEGRATED DEVICE FOR TEMPERATURE MEASUREMENT The article presents a method of implementing a functionally integrated device for temperature measurement, which allows for controlled heating of the primary temperature transducer, measurement of the heating temperature as well as the temperature and differential temperature of the investigated and reference samples. The heating speed is regulated by the selection of the frequency and duration of the control impulses. To measure the temperature and temperature difference, it is proposed to use measuring currents of different polarity, which make it possible to simplify the device design. The methods of linearisation of the conversion function of primary temperature transducer based on the formation of compensating currents in given measurement ranges have been investigated. The conducted studies showed that the temperature measurement error does not exceed 0.11°C and 0.005°C in the control heating mode and in the temperature measurement mode, respectively. The temperature measurement error of the investigated and reference samples and the differential temperature measurement error does not exceed ±0.003°C and 0.001°C, respectively. Temperature measurement ; Temperature control ; Transducer ; Observational error ; Materials science ; Acoustics ; Measure (data warehouse) ; Temperature coefficient ; Measurement uncertainty ; Polarity (international relations) ; Control theory (sociology) ; Computer science ; Thermodynamics ; Chemistry ; Physics ; Control (management) ; Mathematics ; Composite material ; Statistics thermodynamics and calorimetric analyses ; Calibration and Measurement Techniques ; Sensor Technology and Measurement Systems
Authors: Grigor A. Mantashian
Source:  (preprint, 2024-04-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The role of geometry in tailoring the linear and nonlinear optical properties of semiconductor quantum dots The paper aims to reveal the relationship between the geometrical features and linear and nonlinear optical properties of InAs Quantum Dots (QDs). This problem is justified by the extreme variety offered by the recent advances in growth techniques tailored to attainment of QDs and nanostructures with virtually any shape. To that end the Finite Element Method in conjunction with the Effective Mass Approximation and Envelope Function Approximation was employed allowing the solution of the one particle eigenproblems in domains with any complex geometries. The paper explores nanoplatelets, spherical QDs, nanocones, nanorods, nanotadpoles and nanostars. It has been found that there is a clear correlation between the complexity and symmetry of the QDs and their linear and nonlinear absorption spectra for transitions between the electronic ground state and first three excited states. Semiconductor ; Quantum dot ; Nonlinear system ; Nonlinear optical ; Materials science ; Quantum ; Geometry ; Physics ; Condensed matter physics ; Optoelectronics ; Quantum mechanics ; Nanotechnology ; Mathematics Nonlinear Optical Materials Research ; Thallium and Germanium Studies ; Silicon Nanostructures and Photoluminescence
Authors: Febriofca Galih Yatalaththov | Ahmad Ghitha Fadhlurrahman | Alifia Hetifa Rahma | Husna Fitri
Source: Indonesian Journal of Pharmacology and Therapy (article, 2024-08-01)
Field: Materials Science — Biomaterials

Current progress of nanotechnology in medicine: application in drug delivery, diagnostic, tissue engineering, and nanobots The integration of nanotechnology into medicine has resulted in rapid advancements, and revolutionized in the diagnosis, treatment and management of diseases. Through complex manipulation of materials at the nanoscale, nanotechnology has ushered in a new era of precision medicine. Their benefits include increasingly in earlier and more precise diagnosis, as well as in optimal treatment of diseases. This review explores the applications of nanotechnology in medicine, with a focus on drug delivery, diagnostic tools, tissue engineering, and the world of futuristic nanorobots. By investigating the complex workings of nanotechnology in medicine, we aim to highlight its innovative applications, the benefits it brings to diagnosis, and treatment, and its potential to reshape the landscape of contemporary medical practice. Drug delivery ; Nanotechnology ; Medicine ; Materials science Nanoparticle-Based Drug Delivery ; Graphene and Nanomaterials Applications ; 3D Printing in Biomedical Research
Authors: Nataliia Staroselska | Габріелла Бірта | А. М. Шостя | Надія Василівна Левошко | Світлана Вікторівна Сорокіна | Viktoriia Akmen | Viktoriia Kolesnyk | N. Penkina | Volodymyr V. Dyvak | V. R. Stets
Source: Eastern-European Journal of Enterprise Technologies (article, 2024-06-28)
Field: Chemistry — Organic Chemistry

Determination the influence of the synthetic antioxidants mixture on the oxidative stability of sunflower oil The object of the study is the process of sunflower oil oxidation under conditions of increased temperature. Sunflower oil is one of the most common oils and is used in the chemical, food and other industries. The main type of oil spoilage is oxidation, which is accelerated under the influence of radiation, elevated temperatures, long-term storage with oxygen access. Oxidation products prevent the effective use of oil in chemical reactions and technological processes. An important task is to develop and improve methods for increasing the oxidative stability of sunflower oil using antioxidants. The oxidation process of refined deodorized frozen sunflower oil according to DSTU 4492 (CAS Number 8001-21-6) was studied by the method of differential scanning calorimetry. The simultaneous effect of synthetic antioxidants (tert-butylhydroquinone, butylhydroxyanisole, butylhydroxytoluene) in different ratios on the oil induction period at a temperature of 110 °C was determined. The total concentration of the antioxidant mixture in each experiment was 0.02 %. The initial oil induction period is 270.61 min. Rational ratios of antioxidants were determined: tert-butylhydroquinone: butylhydroxyanisole: butylhydroxytoluene (16.67:66.67:16.67) %; tert-butylhydroquinone: butylhydroxyanisole: butylhydroxytoluene (33.33:33.33:33.33) %. The corresponding oil induction periods were 382.56 min. and 385.87 min. The effect of citric acid (0.005 %) and defoamer (polydimethylsiloxane, 0.0002 %)) on the induction period of oil with the addition of antioxidant mixtures was determined. The corresponding oil induction periods were 420.78 min. and 430.25 min. The results of the study make it possible to increase the oxidative stability of sunflower oil, which will contribute to the effective use of oil in various areas Induction period ; Sunflower oil ; Chemistry ; Antioxidant ; Food science ; Oxidative phosphorylation ; Citric acid ; Sunflower ; Biochemistry ; Horticulture ; Biology Edible Oils Quality and Analysis ; Free Radicals and Antioxidants ; Biodiesel Production and Applications
Authors: Chuanqi Peng
Source: Highlights in Science Engineering and Technology (article, 2024-08-19)
Field: Materials Science — Materials Chemistry

Carbon Nanotube and Its Application in Transistor and Sensor Carbon nanotubes (CNTs), a new type of nanomaterial, exhibits typical circular tube structure. CNTs have excellent mechanical, electrical, and chemical properties. CNTs have excellent mechanical, electrical, and chemical properties. With the deepening of research on nanomaterials, their application fields have been expanded in recent years. It has become one of the most commonly used functional materials in the semiconductor field. The use of CNTs for modification in transistors has become a research hotspot. At the same time, as a key material for improving the performance of sensors, CNTs are also receiving increasing attention. In this article, the main electrical properties of CNTs were discussed. In addition, the current-voltage relation is also studied in different transistors. For CNT-based transistor, MOSFET and Schottky barrier field effect transistor (SB FET) were highlighted. The application of CNTs in sensors has also been introduced. Bare CNTs used for sensors were reviewed. Several different modification methods are introduced for this type of sensor. Metal particles, organic groups, and aromatic hydrocarbon for modification of CNT sensors have been discussed. According to different characters, they could be applied in real-time detecting and biochemical environment detecting. Carbon nanotube ; Carbon nanotube field-effect transistor ; Transistor ; Nanotechnology ; Materials science ; Field-effect transistor ; Engineering ; Electrical engineering ; Voltage Carbon Nanotubes in Composites ; Mechanical and Optical Resonators ; Analog and Mixed-Signal Circuit Design
Authors: Mina Volić | Nataša S. Obradović | Nebojša Milošević | Ilinka Pećinar
Source: Acta agriculturae Serbica (article, 2024-01-01)
Field: Chemistry — Analytical Chemistry

Fresh sweet cherry fruit characterization and differentiation by Raman spectroscopy coupled with PCA This study has shown that Raman spectroscopy can be used to analyze the unique patterns of sweet cherry cultivars ('G-2', 'Burlat', 'Canetova', 'Ohridska Crna', and 'Dolga Šiška'). As the minor scattering effect of water molecules guarantees no water interference, Raman spectroscopy can be applied to unprocessed, fresh fruits compared to other methods. The obtained Raman spectra indicate that using the above method can effectively confirm the authenticity of different cherry varieties. By combining Raman spectroscopy with principal component analysis (PCA), samples nutritionally similar to studied cherry cultivars can be distinguished. Raman spectroscopy ; Characterization (materials science) ; Chemistry ; Horticulture ; Botany ; Materials science ; Biology ; Physics ; Optics ; Nanotechnology Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Bee Products Chemical Analysis
Authors: Himangshu Sekhar Sarma | Subhradip Ghosh
Source: arXiv (Cornell University) (preprint, 2024-12-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Consequences of magneto-electrical coupling in multiferroic VSe$_{2}$$/$Sc$_{2}$CO$_{2}$ heterostructures Two-dimensional van der Waals heterostructures are potential game changers both in understanding the fundamental physics and in the realization of various devices that exploit magnetism at the nanoscale. Multiferroic heterostructures comprising a two-dimensional ferroelectric and a two-dimensional ferromagnet are ideal candidates for electrical control of properties of the ferromagnets that can lead to non-volatile memory devices, for example. Relatively new but immensely promising two-dimensional materials, MXene and transition metal dichalcogenides, can be effectively combined to achieve the goal as both have flexibilities in their structures and compositions that are tunable. In this work, using Density Functional Theory, we have investigated the magneto-electric coupling driven transitions in the electronic ground states of VSe$_{2}$-Sc$_{2}$CO$_{2}$ bi-layer and tri-layer heterostructures. Our results demonstrate that the change in the ferroelectric polarisation in the MXene layer leads to changes in the spin-polarized band structures of the magnetic component VSe$_{2}$ enabling a semiconductor to half-metal transition in these heterostructures. We propose several applications of this magneto-electric coupling in these multiferroic heterostructures that can lead to the efficient operation of Field Effect transistors and achieve non-volatility in memory devices at the nanoscale. Multiferroics ; Heterojunction ; Materials science ; Magneto ; Coupling (piping) ; Condensed matter physics ; Engineering physics ; Optoelectronics ; Physics ; Electrical engineering ; Ferroelectricity ; Engineering ; Dielectric ; Metallurgy ; Voltage Magnetic and transport properties of perovskites and related materials ; Solid-state spectroscopy and crystallography ; Crystal Structures and Properties
Authors: Yuriy Tsapko | Тetiana Tkachenko | O. Tsapko | Ruslan Likhnyovskyi | Maryna Sukhanevych | Yuliia Bereznytska | Vitally Prisyazhnuk | Руслан Климась | Alisa Rotova
Source: Eastern-European Journal of Enterprise Technologies (article, 2024-12-27)
Field: Materials Science — Polymers and Plastics

Defining patterns in the fire protection of wood with reactive coating An issue related to using a weatherproof reactive coating for fire protection of wood is to ensure resistance to high-temperature flame via application technology. Therefore, the object of research was the fire-retardant properties of reactive coating based on mixtures of organic-inorganic substances during interaction with flame. It has been proven that the samples of the reactive coating represent an accumulation of fine-dispersed equally sized substances surrounded by a polymer binder, which begin to decompose under thermal action; in particular, ammonium polyphosphate decomposes and releases phosphoric acid. That leads to the dehydration of pentaerythrite with the formation of soot while the decomposition of melamine is accompanied by the release of non-combustible gases that cause the soot to foam, thereby forming foamcoke. The mechanism of fire protection of wood has been established, which is related to the decomposition of flame retardants under the influence of temperature, the release of non-combustible gases, and the formation of a non-flammable coke residue. Thus, when the content of ammonium polyphosphate and pentaerythrite in the reactive coating was increased by 5 %, the volume of combustible gases decreased by more than 11 %, and the volume of nitrogen increased by more than 10 %. When their content was increased by 14 %, the volume of combustible gases decreased by more than 2 times, and the volume of nitrogen increased by more than 1.45 times. That also affected the formation of a foamcoke layer, which was recorded at the lowest content of ammonium polyphosphate at the level of 12 mm and increased for higher values up to 15.5 mm, and the multiplicity of foam increased by 1.25 times. The practical significance is that the results are taken into account when designing the reactive coating. Thus, there are reasons to assert the possibility of targeted regulation of the wood protection process by applying coatings capable of forming a protective layer on the surfacev Ammonium polyphosphate ; Coating ; Fire retardant ; Combustibility ; Chemical engineering ; Volume (thermodynamics) ; Soot ; Intumescent ; Nitrogen ; Polyurethane ; Chemistry ; Ammonium ; Flammable liquid ; Decomposition ; Materials science ; Combustion ; Organic chemistry Flame retardant materials and properties ; Environmental and Industrial Safety ; Material Properties and Applications
Authors: Pedro Henrique do Bomfim Nascimento | Ana Cláudia Alcântara Lemos | Diego Santa Clara Marques | Rejane Pereira Neves | Maria Daniela Silva Buonafina Paz | Iranildo José da Cruz Filho | Gláucia Manoella de Souza Lima | Maria do Carmo Alves de Lima
Source: Scientific Electronic Archives (article, 2024-06-28)
Field: Chemistry — Organic Chemistry

In silico studies (ADME) and in vitro evaluation of the cytotoxic and antimicrobial properties of thiosemicarbazones and thiazole compounds The thiosemicarbazones and thiazoles are known for their versatility of biological activities, among which we can mention: antioxidant, antimicrobial, anticancer activity and the ability to interact with biological macromolecules, HSA and DNA. This study presented two series of molecules 4-(3-(4-nitrophenyl)-4-phenylthiazol-2(3H)-ylidene)-hydrazine)-methyl)-phenol and 4-(3-(4-chlorophenyl)-4 -phenylthiazol-2(3H)-ylidene)-hydrazine)-methyl)-phenol with biological potential against different microorganisms. The in silico ADME profile showed that thiosemicarbazones and thiazoles have good oral bioavailability. The cytotoxicity results in J774 macrophages cells showed that the compounds showed toxicity ranging from 49.15 to 61.28 µM for thiosemicarbazones and from 10.75 to 39.76 µM for thiazoles. Finally, all thiosemicarbazones and thiazoles synthesized were also able to inhibit microbial growth. In yeasts of the genus Candidas sp. we obtained close results ranging from 12.5 to 50 µg/mL. This study demonstrates that the compounds assessed have the potential to be antimicrobial agents in vitro ADME ; Thiazole ; Antimicrobial ; In silico ; In vitro ; Chemistry ; Combinatorial chemistry ; Stereochemistry ; Pharmacology ; Biology ; Biochemistry ; Organic chemistry Synthesis and biological activity ; Computational Drug Discovery Methods ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Lina Perekhoda | Мarharyta Suleiman | I. M. Podolsky | Anton Semenets | Natalia Kobzar | Vitaliy Yaremenko | Olha Vislous | Victoriya Georgiyants | Sergiy М. Kovalenko
Source: ScienceRise Pharmaceutical Science (article, 2024-08-30)
Field: Chemistry — Spectroscopy

Synthesis and nootropic activity prediction of some 4-(aminomethyl)-1-benzylpyrrolidin-2-one derivatives structurally related with nebracetam The aim. Search for new biologically active substances with improved nootropic parameters among analogues of 4-(aminomethyl)-1-benzylpyrrolidine-2-one (Nebracetam). Materials and methods. The required reagents were purified using standard techniques. The elemental analysis was performed on a "Hewlett Packard" automatic analyzer M-180 company. 1H NMR spectra were recorded on Varian Gemini 400 MHz spectrometer in DMSO-d6 as a solvent. LC/MS spectra were recorded with a PE SCIEX API 150EX liquid chromatograph equipped. The Autodock 4.2 software package was used for molecular docking. The active centers of the peptides (PDB ID: 5CXV, 6PV7) was used as the biologycal targets. Results and discussion. Basic and alternative methods (1 and 2) of obtaining were used to synthesise target analogues of 4-(aminomethyl)-1-R-benzylpyrrolidine-2-one. As a result of synthetic studies, an optimized method with an alternative method has been proposed. The advantages include reducing the duration and number of synthesis stages and avoiding the use of sodium azide, a highly toxic and hazardous substance. Molecular docking of the synthesized compounds at well-documented acetylcholine receptor sites indicates that all tested molecules will contribute to the manifestation of nootropic activity to varying degrees through cholinergic neurotransmission mechanisms. This is evidenced by the calculated docking values in relation to the muscarinic target. According to the docking results, it was found that depending on the enantiomeric configuration, the molecules formed stable complexes with the target and had characteristic binding modes both in the orthosteric site and in the extracellular vestibule (site of positive allosteric modulation of mAChR). It indicates the prospects of modifying the "nebracetam scaffold" at the phenyl fragment with halogen substituents. Conclusions. An effective method for synthesising analogues of 4-(aminomethyl)-1-R-benzylpyrrolidin-2-ones has been developed. The molecular docking revealed potential mechanisms of nootropic action of the synthesized derivatives as potential agonists and positive allosteric modulators of the muscarinic receptor Nootropic ; Chemistry ; Stereochemistry ; Pharmacology ; Computational biology ; Medicine ; Biology Analytical Chemistry and Chromatography ; Molecular spectroscopy and chirality
Authors: Ihor Dmytrovych Duzhyi | P. F. Myronov | Тетяна Василівна Івахнюк | Roman Pshenychnyi | Oleksandr Bidakov | Viktoriia Holubnycha
Source: Eastern Ukrainian Medical Journal (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

ANTIBACTERIAL AND ANTIBIOFILM ACTIVITY OF CU/CU2O NPS AGAINST MULTIDRUG-RESISTANT BACTERIA Introduction. Multidrug-resistant (MDR) bacteria are very dangerous and represent a major problem in all areas of healthcare: they often cause diseases that cannot be treated with antibiotics, which leads to long-term ineffective treatment, complications, and high treatment costs. Searching for new antimicrobials is one of the key components of a successful fight against infections caused by MDR. This study was designed to elucidate the antimicrobial and antibiofilm activities of copper/copper oxide nanoparticles (Cu/Cu2O NPs) against MDR bacteria. Methods. Cubic Cu/Cu2O NPs were synthesized by the polyol method. The physicochemical characteristics of the nanoparticles were investigated using transmission electron microscope, X-ray diffraction investigation, energy dispersive spectroscopy and Fourier-transform infrared spectroscopy. Laboratory reference bacterial strains (S. aureus ATCC 25923. E. coli ATCC 25922, P. aeruginosa ATCC 27853) and MDR clinical strains isolated from patients with a purulent process (S. aureus, E. coli, P. aeruginosa) were used to examine the antibacterial effect of nanoparticles. Results. Cubic Cu/Cu2O NPs showed antimicrobial activity against both Gram-negative and Gram-positive bacteria, but the antibiofilm activity of Cu/Cu2O NPs was more promising for targeting Gram-negative bacteria. Cu/Cu2O NPs were less effective against MDR strains of planktonic bacteria in comparison to laboratory reference strains. No significant differences were found between the action of the Cu/Cu2O NPs on biofilms formed with reference laboratory strains or MDR clinical strains. Discussion. The findings of this research may be useful to develop new drugs and approaches for treating infection caused by MDR microorganisms. Further research is warranted to elucidate the underlying mechanisms of Cu/Cu2O NPs action, optimize their formulation, and evaluate their safety and efficacy in preclinical and clinical settings Multiple drug resistance ; Bacteria ; Antibacterial activity ; Microbiology ; Chemistry ; Antibiotics ; Biology Copper-based nanomaterials and applications ; Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis