jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Elena V. Pereloma
Source: MetalMat (review, 2024-04-11)
Field: Materials Science — Materials Chemistry

A review of the microstructure and tensile behavior of additively manufactured metastable <i>β</i> Ti alloys Abstract This review summarizes and critically discusses the current knowledge on the microstructures and tensile properties of metastable β Ti alloys fabricated by selective laser melting and laser metal deposition techniques. The effects of post‐heat treatments are also addressed. The spatial variations in the microstructure and properties are linked with the processing parameters. The review also compares the additively manufactured and post heat‐treated metastable β Ti alloys with their wrought counterparts. It highlights the research questions for further investigations. Microstructure ; Metastability ; Materials science ; Ultimate tensile strength ; Metallurgy ; Composite material ; Chemistry Titanium Alloys Microstructure and Properties ; Additive Manufacturing Materials and Processes ; Bone Tissue Engineering Materials
Authors: Long Van Duong | Nguyễn Minh Tâm | Amir Karton | Minh Tho Nguyen
Source: Dalton Transactions (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Triple-chain boron clusters: lengthening <i>via</i> phosphorus doping and enhancing stability through {P} by {CH} substitution This theoretical study presents novel insights into the doping of boron clusters with an increasing number of dopant atoms, ranging from 1 to 4, that preserve the integrity of the original boron framework. The triple-chain forms of clusters B<sub>10</sub> and B<sub>16</sub> remain unchanged upon sequential addition of P atoms, showcasing a perfect isolobal substitution of {P} with {CH}. Similarities in the number of delocalized electrons are observed between pure and doped boron clusters, alongside the subsequent substitution of {P} with {CH}. All triple-chain structures exhibit high thermodynamic stability, having low vertical attachment energies and high vertical ionization energies. The lowest-lying isomer of B<sub>16</sub>P<sub>4</sub> has thus a triple-chain shape instead of a tetrahedral <i>T</i><sub>d</sub> form as previously reported. While AdNDP analysis confirms the number of globally delocalized electrons, it differs much from a previous interpretation. The magnetic ring current maps support the double aromaticity of triple-chain structures. Electron counting rules established for triple-chain structures are verified. The particle-in-a-rectangular-box model elucidates the relationship between the structure size and electron configuration and aids in understanding the transition from antiaromatic to aromatic configurations. The self-locking phenomenon is crucial for adhering to the triple-chain model and satisfying electron configuration requirements. Boron ; Substitution (logic) ; Phosphorus ; Doping ; Chemistry ; Chain (unit) ; Crystallography ; Materials science ; Organic chemistry ; Physics ; Computer science ; Optoelectronics Boron and Carbon Nanomaterials Research ; Boron Compounds in Chemistry ; MXene and MAX Phase Materials
Authors: Seung-Hoon Han | Jae-Hyang Kim
Source: Journal of Asian Architecture and Building Engineering (article, 2024-05-23)
Field: Materials Science — Polymers and Plastics

Energy load analysis according to environmental control strategy of partially applied electrochromic smart window The percentage of energy consumed by buildings is very large in industry. Recently, the cases of applying smart technology to efficiently improve the energy waste of these buildings are increasing, and this study targets Electrochromic (EC) smart windows. Smart window means a window that can freely change Visible Light Transmittance (VLT) and Solar Heat Gain Coefficient (SHGC). Since windows are the largest medium that can cause energy loss in buildings, the application of smart windows enables efficient energy management. However, this technology currently has a high-cost problem, so a partial application to windows is proposed. This study aims to analyze the relationship between partially applied smart windows and energy loads. Smart windows require an environment control strategy because windows are primarily to provide a comfortable indoor environment. An environmental control strategy was established according to the application area of the smart window, and Useful Daylight Illuminance (UDI) was used. In addition, the energy load of the smart window in which the environmental control strategy was established was derived, and the relationship with the partially applied area was analyzed. This study provides information on how much the partial application of smart windows can save energy wastage in buildings. Electrochromism ; Window (computing) ; Energy (signal processing) ; Control (management) ; Computer science ; Environmental science ; Architectural engineering ; Automotive engineering ; Engineering ; Mathematics ; Chemistry ; Statistics ; Artificial intelligence ; Electrode Transition Metal Oxide Nanomaterials ; Building Energy and Comfort Optimization ; Color Science and Applications
Authors: Yuriy Tsapko | O. Tsapko | Sergii Zhartovskyi | Ruslan Likhnyovskyi | Maryna Kravchenko | Natalia Lialina | Ю. В. Березовський | Kostiantyn Kaveryn | Yuriy Sarapin
Source: Eastern-European Journal of Enterprise Technologies (article, 2024-10-25)
Field: Materials Science — Polymers and Plastics

Establishing fire protection patterns in wood using impregnation compositions from inorganic salts An issue related to using inorganic salts for fire protection of wood is to ensure their flame-inhibiting ability and compatibility with wood and application technology. That is why the object of research was to establish the effectiveness of inhibitory properties of mixtures of inorganic salts during interaction with the flame and enabling interplay with wood. A synergistic increase in the inhibitory capacity of mixtures of aqueous solutions of salts of diammonium phosphate and ammonium sulfate at a ratio of 2:1, and for a mixture based on orthophosphoric acid, urea, and oxyethylidenediphosphonic acid in the concentration range of 20–25 % by mass, has been proven. During the interaction of the specified mixtures with the wood surface, it was found that after application to the wood surface, the dispersed component of the free energy of the wood surface decreased to zero; instead, the polar component increased 13 times, which indicates a change in the wood surface. During the tests of wood samples on the effect of the burner flame, it was found that the untreated sample ignited on second 53, and the flame spread throughout the sample for 102 s. On the other hand, the samples treated with a mixture of an aqueous solution of phosphate and ammonium sulfate, as well as a mixture of aqueous solutions based on orthophosphoric acid and urea and oxyethylidenediphosphonic acid, did not catch fire, the flame did not spread over the surface, and the flammability index was 0. The practical significance is that the results were taken into account when designing flame retardant compositions for wood. Thus, there are reasons to assert the possibility of targeted regulation of wood protection processes through the use of mixtures of inorganic salts capable of forming a protective layer on the surface of the material that inhibits the burning of wood Fire protection ; Environmental science ; Forensic engineering ; Pulp and paper industry ; Materials science ; Environmental chemistry ; Waste management ; Chemistry ; Engineering ; Civil engineering Flame retardant materials and properties
Authors: Zianab Tariq | Nawras A. Alwan
Source: METHODS AND OBJECTS OF CHEMICAL ANALYSIS (article, 2024-01-01)
Field: Chemistry — Analytical Chemistry

Optimization of Switchable Hydrophilicity Solvent-Based Liquid-Liquid Microextraction for Tartrazine Dye Separation and Preconcentration using Central Composite Design and Response Surface Methodology Switchable hydrophilicity solvent liquid-liquid microextraction (SHS-LLME) was employed as a sample pretreatment method to enrich and pre-concentrate the dye Tartrazine (Tz) before its quantification using UV-visible spectrophotometry. N-methyl dipropyl amine (MDPA) was used as the extraction solvent. The key parameters of the SHS-LLME process were optimized using central composite design (CCD) and response surface methodology (RSM) to evaluate the interactive effects of the three most critical operational variables. The interactions between the MDPA, HCl, and NaOH volume on dye absorption were studied. The LOD and LOQ (n = 7) were calculated as 0.23 μg/mL and 0.692 μg/mL, respectively. The method showed a relative standard deviation (RSD) of 1.71% for 10 replicate measurements. Enrichment and preconcentration factors were determined to be 63 and 33.33, respectively, demonstrating the method’s effectiveness in enhancing Tartrazine detection. Tartrazine ; Central composite design ; Response surface methodology ; Chromatography ; Solvent ; Composite number ; Materials science ; Liquid liquid ; Chemistry ; Composite material ; Organic chemistry Dye analysis and toxicity ; Analytical chemistry methods development ; Electrochemical Analysis and Applications
Authors: Chengjie Luo | Yicheng Qiang | David Zwicker
Source: arXiv (Cornell University) (preprint, 2024-03-11)
Field: Chemistry — Physical and Theoretical Chemistry

Beyond Pairwise: Higher-order physical interactions affect phase separation in multi-component liquids Phase separation, crucial for spatially segregating biomolecules in cells, is well-understood in the simple case of a few components with pairwise interactions. Yet, biological cells challenge the simple picture in at least two ways: First, biomolecules, like proteins and nucleic acids, exhibit complex, higher-order interactions, where a single molecule may interact with multiple others simultaneously. Second, cells comprise a myriad of different components that form various droplets. Such multicomponent phase separation has been studied in the simple case of pairwise interactions, but an analysis of higher-order interactions is lacking. We propose such a theory and study the corresponding phase diagrams numerically. We find that interactions between three components are similar to pairwise interactions, whereas composition-dependent higher-order interactions between two components can oppose phase separation. This surprising result can only be revealed from the equilibrium phase diagrams, implying that the often-used stability analysis of homogeneous states is inadequate to study these systems. We thus show that higher-order interactions could play a crucial role in forming droplets in cells, and their manipulation could offer novel approaches to controlling multicomponent phase separation. Component (thermodynamics) ; Separation (statistics) ; Affect (linguistics) ; Pairwise comparison ; Order (exchange) ; Phase (matter) ; Biological system ; Computer science ; Psychology ; Chemistry ; Mathematics ; Business ; Thermodynamics ; Physics ; Statistics ; Artificial intelligence ; Communication ; Organic chemistry ; Biology Electrostatics and Colloid Interactions ; Block Copolymer Self-Assembly ; Material Dynamics and Properties
Authors: Hoàng Văn Ngọc
Source: Royal Society Open Science (article, 2024-03-01)
Field: Materials Science — Materials Chemistry

Adsorption of N, He and Ne on CGe nanoribbons for sensing and optoelectronic applications Research into nanomaterials yields numerous exceptional applications in contemporary science and technology. The subject of this investigation is a one-dimensional nanostructure, six atoms wide, featuring hydrogen-functionalized edges. The theoretical foundation of this study relies on Density Functional Theory (DFT) and is executed through the utilization of the Vienna Ab initio Simulation Package (VASP). The outcomes demonstrate the stability of adsorption configurations, along with the preservation of a hexagonal honeycomb lattice. The pristine configuration, characterized by a wide bandgap, is well-suited for optoelectronic applications, whereas adsorption configurations find their application in gas sensing. Nitrogen (N) adsorption transforms the semiconducting system into a semimetallic one, with the spin-up state showing semiconductor characteristics and the spin-down state exhibiting metallic attributes. The intricate multi-orbital hybridization is explored through the analysis of partial states. While the pristine system remains non-magnetic, N adsorption introduces a magnetic moment of 0.588 μ<sub>B</sub>. The examination of charge density differences indicates a significant charge transfer from N to the CGe substrate surface. Optical properties are systematically investigated, encompassing the dielectric function, absorption coefficient and electron-hole density. Notably, the real part of the dielectric function exhibits negative values, a result that holds promise for future communication applications. Density functional theory ; Materials science ; Ab initio ; Semiconductor ; Adsorption ; Band gap ; Magnetic moment ; Condensed matter physics ; Optoelectronics ; Nanotechnology ; Chemical physics ; Chemistry ; Computational chemistry ; Physical chemistry ; Physics Graphene research and applications ; Boron and Carbon Nanomaterials Research ; MXene and MAX Phase Materials
Authors: Sumalatha Chepyala | Medidi Srinivas | Jitender K Malik
Source: Journal of Applied Pharmaceutical Science (article, 2024-01-01)
Field: Chemistry — Analytical Chemistry

Development of a validated RP-HPLC/PDA method for the quantitative estimation of tepotinib in tablet dosage form A novel and effective reversed-phase high-performance liquid chromatographic (RP-HPLC) technique has been developed to determine the tepotinib, an anti-cancer drug, in a tablet formulation. Furthermore, this method has been validated in accordance with the guidelines of the International Conference on Harmonization. The mobile phase consisted of a mixture of potassium dihydrogen orthophosphate and acetonitrile in a ratio of 15:85 v/v, while the flow rate of the mobile phase was maintained at a constant rate of 1.0 ml/minute. The analysis was conducted using an isocratic approach on a C18 analytical column with dimensions of 250 × 4.4 mm and a particle size of 5 μm. To detect tepotinib, a photo diode array detector was employed, with a wavelength of 284 nm. The quantification of tepotinib was not affected by the presence of excipients. The concentration range of the calibration curve was linear, spanning from 8 to 12 μg/ml. In terms of precision, both intra-day and inter-day relative standard deviations were found to be less than 2%, thus indicating high precision and repeatability. The recovery rate of the compound ranged from 99.76%–101.34 %, with relative standard deviations not exceeding 2%. The limit of detection and quantification were determined to be 0.02 μg/ml and 0.06 μg/ml, respectively. The system suitability parameters were deemed to be within the acceptable range. Therefore, this current report proposes an innovative analytical approach for the evaluation of a recently discovered anti-cancer drug, tepotinib, through the utilization of the RP-HPLC methodology. Chromatography ; Estimation ; Computer science ; Chemistry ; Engineering Analytical Methods in Pharmaceuticals ; Synthesis and biological activity ; Lung Cancer Treatments and Mutations
Authors: Eman El Feel | Hisham Zaki | Hesham Saeed
Source: Future Perspectives of Medical Pharmaceutical and Environmental Biotechnology (article, 2024-10-01)
Field: Materials Science — Materials Chemistry

Exploring the Toxicological Effects of Silver Nanoparticles: Oxidative Stress and Neurodegenerative Disorders Silver nanoparticles (AgNPs) is used in many industries due to their exclusive antibacterial, antiviral, antiproliferative, and tissue-engineering properties. Toxicological concerns of these nanoparticles was raised due to their accumulation in many organs where they can induce oxidative stress and inflammation. This study aims to study the toxicological effects of AgNPs through biochemical and molecular analysis.ROS produced by the presence of AgNPs compromises antioxidant resistance, translocate and cross biological barriers, like the blood-brain barrier (BBB), and accumulate in brain tissues, leading neurodegenerative disorders.In this study, Wistar male rats were injected intraperitoneally to different doses of AgNPs doses over a three-week period to test both acute and chronic toxicity. Four groups of rats were divided as following: a control group treated with saline and three treatment groups receiving different doses of AgNPs (500 mg/kg for acute, 50 mg/kg, and 30 mg/kg for chronic exposure). Rats’ body weights were measured at the end of treatment, blood samples were collected for hematological analysis. Furthermore, the liver and brain tissues were used to examine the presence of AgNPs in cells.Biochemical tests conducted included measurements of total leukocyte count, erythrocyte count, hemoglobin levels, hematocrit, and red blood cell indices. Liver function tests were conducted along with assessments of antioxidant enzyme activities, such as glutathione S-transferase (GST), glutathione peroxidase (GPx), catalase (CAT), and glutathione (GSH) levels, in addition to evaluating lipid peroxidation through thiobarbituric acid reactive substances (TBARS). In the brain, acetylcholinesterase (AChE) activity and Na+/K+ ATPase activity were measured to assess the neurological impacts of AgNP exposure.The study’s results indicate that AgNPs increased oxidative stress markers and induced cellular damage as indication of cytotoxicity. This confirmed the potential toxicological effect of AgNP, especially for nervous system. These findings underscore the further research to determine safe exposure limits the use of AgNPs. Oxidative stress ; Chemistry ; Medicine ; Pharmacology ; Biochemistry Nanoparticles: synthesis and applications
Authors: Akpro Lathro Anselme | Doubi Bi Tra Serges | Djaha Konan Engueran | Kodjo Noëlle Françoise | Ochou Germain Elisabeth Cynthia | Konan Konan Jean Louis | Hala N’klo
Source: European Journal of Nutrition & Food Safety (article, 2024-12-29)
Field: Chemistry — Inorganic Chemistry

Identification of High-Sugar Dwarf Coconut Varieties for Coconut Water-Based Sugar Production in Côte d'Ivoire" Coconut cultivation is a vital cash crop with significant potential for employment generation, particularly for youth and women. Its diverse applications in the agro-industry include the use of coconut water for consumption (beverage) and the production of sugar suitable for diabetic diets. This study aimed to identify high-sugar-yielding dwarf coconut varieties in Côte d'Ivoire. Ten dwarf cultivars were selected from the international collection, and a total of 150 nuts, 9-month-old nuts were harvested from 50 randomly selected trees (3 nuts per cultivar), were analyzed. Biochemical parameters, including Brix level, dry matter, pH, reducing and total sugars, and macronutrient content, were determined using standard methods. Among the varieties, the Malayan Red Dwarf exhibited the lowest dry matter content (6.22±0.32%), while the Sri Lanka Green Dwarf had the highest (7.46±0.05%). All cultivars exceeded the Codex Alimentarius 2022 standard of 5.0% Brix, with green cultivars such as Tacunan Green Dwarf, Thailand Green Dwarf, Brazil Green Dwarf, Pilipog Green Dwarf, and Sri Lanka Green Dwarf showing total soluble solids values close to or above 7. In conclusion, these high-Brix cultivars are suitable for coconut water sugar production. Cote d ivoire ; Sugar ; Biology ; Sugar production ; Identification (biology) ; Horticulture ; Agronomy ; Botany ; Food science ; Humanities ; Art Coconut Research and Applications
Authors: MingRui Lai | Fengyuan Xuan | Su Ying Quek
Source: arXiv (Cornell University) (preprint, 2024-02-03)
Field: Materials Science — Materials Chemistry

Quantum Geometric Advantage of the Correlated Exciton State in Non-linear Optics The concept of quantum geometry for single-particle states has revolutionized our interpretation of several emergent properties in condensed matter. However, a description of the quantum geometry for interacting particles and an understanding of its implications are lacking. Here, we show that inherent in the non-linear optical response is a quantum geometry of the correlated electron-hole state (exciton) that arises from the interplay between geometry and interactions - distinct from the quantum geometric properties of the individual electron or hole states. We demonstrate using first principles calculations that this quantum many-body geometry significantly enhances the non-linear optical response in systems with strong excitonic effects. In the case of shift currents, the quantum many-body geometric term arises in the many-body shift vector and can be interpreted as a many-body analogue of the Berry phase. This work lays the foundation to study the quantum geometry of correlated states in experimentally observable settings. Photovoltaics ; Nanoscopic scale ; Materials science ; Nanotechnology ; Engineering physics ; Photovoltaic system ; Physics ; Engineering ; Electrical engineering Machine Learning in Materials Science ; Semiconductor Quantum Structures and Devices ; Nanowire Synthesis and Applications
Authors: Larry J. Dishaw | Gary W. Litman | Assunta Liberti
Source: Philosophical Transactions of the Royal Society B Biological Sciences (review, 2024-03-18)
Field: Chemistry — Organic Chemistry

Tethering of soluble immune effectors to mucin and chitin reflects a convergent and dynamic role in gut immunity The immune system employs soluble effectors to shape luminal spaces. Antibodies are soluble molecules that effect immunological responses, including neutralization, opsonization, antibody-dependent cytotoxicity and complement activation. These molecules are comprised of immunoglobulin (Ig) domains. The N-terminal Ig domains recognize antigen, and the C-terminal domains facilitate their elimination through phagocytosis (opsonization). A less-recognized function mediated by the C-terminal Ig domains of the IgG class of antibodies (Fc region) involves the formation of multiple low-affinity bonds with the mucus matrix. This association anchors the antibody molecule to the matrix to entrap potential pathogens. Even though invertebrates are not known to have antibodies, protochordates have a class of secreted molecules containing Ig domains that can bind bacteria and potentially serve a similar purpose. The VCBPs (V region-containing chitin-binding proteins) possess a C-terminal chitin-binding domain that helps tether them to chitin-rich mucus gels, mimicking the IgG-mediated Fc trapping of microbes in mucus. The broad functional similarity of these structurally divergent, Ig-containing, secreted effectors makes a case for a unique form of convergent evolution within chordates. This opinion essay highlights emerging evidence that divergent secreted immune effectors with Ig-like domains evolved to manage immune recognition at mucosal surfaces in strikingly similar ways. This article is part of the theme issue 'Sculpting the microbiome: how host factors determine and respond to microbial colonization'. Chitin ; Immune system ; Effector ; Mucin ; Immunity ; N-Acetylglucosamine ; Biology ; Cell biology ; Chemistry ; Immunology ; Biochemistry Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Probiotics and Fermented Foods