jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: A. Subashini | C. Pavithra
Source: Shanlax International Journal of Arts Science and Humanities (article, 2024-10-01)
Field: Materials Science — Materials Chemistry

Analysis of Structural, Optical, Morphological and Magnetic Behaviour of Lead Nanoferrite by Two Different Methods Sol gel and the hydrothermal approach are two distinct techniques that have been successfully used to synthesise lead nanoferrite (PbFe2O4). To determine which of the two approaches is superior, the features of the sample prepared by each have been examined. Vibration Sample Magnetometer (VSM), Fourier Transform Infrared Spectroscopy, UV-VIS Spectral investigations, Scanning Electron Microscopy (SEM), X-Ray Diffraction, and Size, Band Gap Energies, Morphology, and Magnetic Properties of Nanostructures were used to determine and compare its various aspects. The mean diameters of the synthesised lead ferrite nanocrystalline were found to be 33 nm for the sol gel method and 20 nm for the hydrothermal method, respectively, based on X-Ray Diffraction analysis using Debye-Scherer’s formula with the peak. FTIR spectra are used to analyse the vibration characteristics of nanomaterials. The optical characteristics of the synthesised nanomaterials, such as their Energy Band Gap, were determined using UV-VIS Spectral investigations. SEM is used for surface morphological investigations, allowing the structure of the synthesised nanomaterials to be studied. Using VSM, the magnetisation of the produced nanomaterials was examined, and the hysteresis loops were used to calculate the saturation magnetisation (Ms), coercivity (Hc), and retainivity (Mr). Lead (geology) ; Materials science ; Biology Magnetic Properties and Synthesis of Ferrites
Authors: Mamadou Guy-Richard Koné | Lamoussa Ouattara | Kouakou Nobel N’guessan | Georges Stéphane Dembélé | Panaghiotis Karamanis | Nahossé Ziao
Source: Chemical Science International Journal (article, 2024-11-23)
Field: Chemistry — Organic Chemistry

Theoretical Study of the Stability and Chemical Reactivity of a Series of Dihydropyrazoles with Antiproliferative Activities In recent years, the number of cancer cases are increasing particularly that of prostate. In this work, we were interested in anticipating dihydropyrazole-cancer cell interactions and their anti-prostatic activity by studying the chemical reactivity and stability of a series of six dihydropyrazole compounds. This study was carried out on six molecules from a series of antiproliferative dihydropyrazoles (DP) substituted by halogens and cyclic molecules, using density functional theory at the B3LYP/6-31+G (d,p) level. Obtained at 298 K thermodynamic formation parameters confirm the formation and existence of the series of studied molecules. Boundary molecular orbitals examination, including the energy gap (ΔE), electronegativity (χ), chemical hardness (η) and electrophilicity index (ω), provided a deeper perspective on molecular properties. As a result, among studied compounds, DP-1 and DP-5 stand out for having the highest energy gaps between boundary orbitals, making them more stable and less reactive. In addition, DP-1 was found to be the best electron donor and the hardest compound among examined ones. Analysis of local descriptors, isodensity and electrostatic potential maps identified the two nitrogen atoms as the preferred sites for electrophilic and nucleophilic attack. However, the two nitrogen atoms contained in the pyrazole ring of dihydropyrazoles (DP) with one in sp3 and the other sp2 hybridization state are the preferred sites for electrophilic and nucleophilic attacks, respectively. Series (stratigraphy) ; Chemistry ; Reactivity (psychology) ; Computational chemistry ; Stability (learning theory) ; Computer science ; Geology Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and Reactions of Organic Compounds ; Synthesis of heterocyclic compounds
Authors: Nadia A. Ali | Badiaa Ismal Alawi
Source: Ibn AL- Haitham Journal For Pure and Applied Science (article, 2024-10-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Enhanced Electromagnetic Interference Shielding Effectiveness of Lightweight Polymethyl Methacrylate /Graphene/Silver Hybrid to Reduced Pollution and Healthcare The growth of using electronic devices has led to the development of a new pollution type that has been referred to as noise, radio frequency interference, or electromagnetic radiation (EM). The identification of lightweight PMMA/Gr/Ag nanocomposites has led to the discovery of a new hybrid polymer composite. Electrical conductivity, High Electromagnetic (EM) Shielding Effectiveness (SE) in a frequency range of 8.20-12.40GHz (x-band), dielectric characteristics, and differential thermal analysis were used to examine PMMA/Gr/Ag. Using the solvent casting process, a hybrid PMMA/Gr/Ag nanocomposite was created. The hybrid composite's electrical conductivity demonstrates that D.C conductivity is around 1.6×10-6 S/ cm as concentration is attained at 0.5% for Ag and 0.5% for Graphene, and that σac (ω) is frequency increases with increases in frequency. All PMMA/Gr/Ag nanocomposites exhibit decreasing dielectric properties (ɛ´, ɛ´´, tan δ) with increasing frequency. It was discovered that SE is highly dependent on Graphene and Ag, with the maximum SE attenuation recorded at 0.5wt% of Graphene and Ag being 11 dB at 12 GHz. Test of DTA shows that exothermic reactions with the dominating weight take place at (200–300)°C. PMMA matrix of PMMA/Gr/Ag nanocomposites displayed unique dispersion of the silver &amp; graphene particles, according to FESEM results. Polymethyl methacrylate ; Electromagnetic shielding ; Graphene ; Materials science ; Interference (communication) ; Electromagnetic interference ; Automotive engineering ; Composite material ; Nanotechnology ; Computer science ; Telecommunications ; Polymer ; Engineering Electromagnetic wave absorption materials ; Electromagnetic Fields and Biological Effects
Authors: Y. D. T. I. Karunarathna | R. C. L. De Silva
Source: Asian Journal of Environment & Ecology (article, 2024-06-14)
Field: Materials Science — Biomaterials

Extraction of Alumina from Kaolin found in Gem Mining Sites of Sri Lanka Kaolinitic clay deposits, esteemed as valuable mineral resources in Sri Lanka, are widely distributed throughout the country. Clay deposits in the Ratnapura District are often unearthed during gem mining operations. Unfortunately, excavated deposits are frequently disposed of openly on the ground without undergoing any value-addition process. This practice alters the soil condition of the vicinity, as the clay soil blocks the gravitational flow of rainwater. This environmental impact can be overcome by adding commercial value to these kaolinitic clay deposits. The present study aims to demonstrate the feasibility of extracting alumina from kaolinitic clay found at gem mining sites and to evaluate the potential of the extracted alumina as an adsorbent. Kaolinitic clay samples were collected from a gem mining site in the Ratnapura District. First, kaolin was transformed into metakaolin through calcination, and then alumina was extracted from the metakaolin via acid leaching using HCl as the leaching agent. Aluminum ions were separated from the leaching solution as Al(OH)₃ using NaOH as the precipitant. The precipitated Al(OH)₃ was transformed into alumina by calcination. The adsorption properties of the extracted alumina were evaluated using methylene blue solution as the adsorbate. Kaolin, extracted, and commercial alumina samples were characterized using XRD, XRF, FTIR, and SEM analysis. XRF analysis revealed that kaolin consists of 29.11 % alumina by weight, and the purity of the extracted alumina was 90.03%. The crystalline phase of extracted alumina was identified as the γ phase via XRD analysis. Extracted and commercial alumina exhibited similar trends in the adsorption of methylene blue under varying adsorption parameters. Accordingly, γ-phase alumina with a purity exceeding 90% can be produced from the kaolinitic clay found at the gem mining site under these experimental conditions. The extracted alumina has demonstrated potential for use as an adsorbent, exhibiting compatibility with commercial alumina. Calcination ; Metakaolin ; Leaching (pedology) ; Adsorption ; Kaolinite ; Extraction (chemistry) ; Clay minerals ; Mineralogy ; Materials science ; Nuclear chemistry ; Metallurgy ; Geology ; Chemistry ; Soil water ; Soil science ; Chromatography ; Cement Clay minerals and soil interactions ; Coal and Its By-products
Authors: Н. В. Филатова | Н. Ф. Косенко | Artyom S. Artyushin
Source:  (article, 2024-12-11)
Field: Materials Science — Ceramics and Composites

THE THERMAL BEHAVIOR OF PRECIPITATED BAYERITE AL(OH)3 Thermal ; Materials science ; Thermodynamics ; Chemical engineering ; Physics ; Engineering Advanced ceramic materials synthesis ; Bauxite Residue and Utilization ; Recycling and utilization of industrial and municipal waste in materials production
Authors: Taigao Ma | Mingqian Ma | Ling Guo
Source: arXiv (Cornell University) (preprint, 2024-09-25)
Field: Materials Science — Surfaces, Coatings and Films

Optical Multilayer Thin Film Structure Inverse Design: From Optimization to Deep Learning Optical multilayer thin film structures have been widely used in numerous photonic domains and applications. The key component to enable these applications is the inverse design. Different from other photonic structures such as metasurface or waveguide, multilayer thin film is a one-dimensional structure, which deserves its own treatment for the design process. Optimization has always been the standard design algorithm for decades. Recent years have witnessed a rapid development of integrating different deep learning algorithms to tackle the inverse design problems. A natural question to ask is: how do these algorithms differ from each other? Why do we need to develop so many algorithms and what type of challenges do they solve? What is the state-of-the-art algorithm in this domain? Here, we review recent progress and provide a guide-tour through this research area, starting from traditional optimization to recent deep learning approaches. Challenges and future perspectives are also discussed. Inverse ; Materials science ; Computer science ; Artificial intelligence ; Mathematics ; Geometry Optical Coatings and Gratings
Authors: Sharif Zuberi Mwangi | V.C.K. Silayo | Davis Chaula
Source: International Research Journal of Pure and Applied Chemistry (article, 2024-08-05)
Field: Materials Science — Biomaterials

The Impact of Cashew Nut (Anacardium occidentale) Testa Tannin Feeding Ratio on the Chemical and Mechanical Characteristics of Leather Tanned from Cowhide, Goatskin and Sheepskin In recent years, there has been a growing interest in exploring natural alternatives to synthetic tannins, driven by concerns over sustainability and environmental impact. Natural tannins offer several advantages, including biodegradability, renewability, and lower environmental impact compared to synthetic chemicals. Among the natural tannins under investigation, cashew nut testa tannin has emerged as a promising candidate due to its abundance, renewability, and potential benefits in leather tanning applications. This research investigated the impact of varying feeding ratios of cashew nut testa tannin on the chemical and mechanical characteristics of leather tanned from cowhide, goatskin, and sheepskin. The objective was to determine how different concentrations of cashew nut testa tannin influence the quality and performance of the leather. Leather samples were prepared using different feeding ratios of cashew nut testa tannin and subjected to a series of chemical and mechanical tests. The results indicated that the absorption of tannin and the resultant chemical stability varied with the type of hide or skin, with each exhibiting unique optimal ratios for tannin uptake. Higher tannin ratios generally improved the tensile and tear strength of the leather across all types, with significant enhancements noted in goatskin and sheepskin. However, an increase in tannin ratio reduced the flexibility of cowhide, while goatskin and sheepskin maintained adequate flexibility. The study demonstrates that cashew nut testa tannin is an effective and sustainable tanning agent, capable of producing quality leather. The findings suggest that the leather industry can utilize cashew nut testa tannin to enhance leather properties, with potential customization of tannin feeding ratios to meet specific performance requirements. Further research is recommended to explore long-term durability and economic viability on a commercial scale. This study contributes to the development of eco-friendly tanning practices and provides insights into optimizing the use of cashew nut testa tannin for various types of leather. Tannin ; Cashew nut ; Chemistry ; Food science ; Nut ; Anacardium ; Condensed tannin ; Pulp and paper industry ; Polyphenol ; Horticulture ; Proanthocyanidin ; Organic chemistry ; Biology ; Antioxidant Collagen: Extraction and Characterization ; Lignin and Wood Chemistry ; Dyeing and Modifying Textile Fibers
Authors: gado, sarah | Baylava, Ayşenur | Parıltı, Damla Nur | ALAGÖZ, ZEYNEP | MUTLU, PELİN | Doğan, Tuğba
Source: OpenMETU (Middle East Technical University) (article, 2024-10-21)
Field: Chemistry — Organic Chemistry

Synthesıs, Bıologıcal Actıvıty, Molecular Dockıng And Adme Studıes Of Novel Benzımıdazole Derıvatıves Carryıng Methyl Sulfonyl Group As Bcl-2 Inhıbıtors Sulfonyl ; ADME ; Group (periodic table) ; Context (archaeology) ; Sulfonamide Synthesis and biological activity ; Synthesis of Tetrazole Derivatives ; Synthesis and Reactivity of Sulfur-Containing Compounds
Authors: Lyudmyla Antypenko | Oleksii Antypenko | Alina Fominichenko | Iryna Karnaukh | С. І. Коваленко | Mieko Arisawa
Source: Preprints.org (preprint, 2024-10-25)
Field: Chemistry — Organic Chemistry

Combating &lt;i&gt;Candida glabrata&lt;/i&gt;: Screening 5,6-Dihydrotetrazolo[1,5-&lt;i&gt;c&lt;/i&gt;]Quinazolines through &lt;i&gt;In Vitro&lt;/i&gt; Studies, Molecular Docking, QSAR and Toxicity Assessments Candida glabrata (Nakaseomyces glabratus), the second most prevalent Candida pathogen globally, has emerged as a major clinical threat due to its ability to develop high-level azole resistance. In this study, two new 5,6-dihydrotetrazolo[1,5-c]quinazoline derivatives (c11 and c12) were synthesized and characterized using IR, LC-MS, 1Н and 13C NMR spectra. Along with 13 previously reported analogues, these compounds underwent in vitro antifungal testing against clinical C. glabrata isolates using a serial dilution method (0.125-64 mg/L). Remarkably, compounds c5 and c1 exhibited potent antifungal activity, with minimum inhibitory concentrations of 0.37 μM and 0.47 μM, respectively – about 20-fold improvement over standard drugs like amphotericin B, caspofungin, and micafungin. A detailed structure-activity relationship analysis revealed crucial molecular features enhancing antifungal potency. Extensive molecular docking studies across 18 protein targets explored potential binding pockets and affinities of the lead compounds. A robust 3D-QSAR model, incorporating molecular descriptors Mor26m and Mor29e, displayed good predictive ability for antifungal activity. In silico predictions indicated an absence of herbicidal effect, negligible environmental toxicity (to honeybees, avian species, and aquatic organisms), and mild human toxicity concerns for these compounds. This comprehensive approach aims to develop novel and effective antifungal compounds against the clinically relevant pathogen C. glabrata. In vitro ; Candida glabrata ; Chemistry ; Microbiology ; Biology ; Antifungal ; Biochemistry Quinazolinone synthesis and applications ; Synthesis and Biological Evaluation ; Synthesis and biological activity
Authors: Zhe Zhang | Jingyi Hao | Xijuan Lv | Fengqin Shang | Haoming Zou | Qinghai Shu
Source: Journal of Physics Conference Series (article, 2024-12-01)
Field: Materials Science — Materials Chemistry

Enhanced process safety: Liquid level identification in the process of preparing PBXs by water suspension method using YOLOV8 Abstract Realizing online monitoring of the process of preparing Plastic Bonded Explosives (PBXs) by water suspension method has far-reaching significance for optimizing the preparation process, improving product quality, and ensuring personnel safety. The application of deep learning algorithms has significantly improved the efficiency of image recognition and is widely used in various industries. This study proposes a YOLOV8 framework based on deep learning to identify liquid level pictures during the preparation process of PBXs. The data sets are divided according to different split ratios, and each data set uses three levels of epoch of 100, 200 and 300 for training. Four key performance indicators, including precision, recall, mAP50 and mAP50-95, are used to evaluate the quality of the model. The results show that the model has outstanding recognition effect, and all indicators have reached more than 97%. This study innovatively applied the deep learning framework to the field of PBXs preparation, realized the monitoring of the PBXs preparation process, and provided new ideas and foundation for the advanced manufacturing of PBXs. Suspension (topology) ; Process (computing) ; Identification (biology) ; Process engineering ; Chromatography ; Materials science ; Computer science ; Chemistry ; Engineering ; Mathematics ; Operating system Thermal and Kinetic Analysis ; Fault Detection and Control Systems
Authors: Midhat I. Tukhvatullin | Eduard Khasanov
Source: Pertanika journal of science & technology (article, 2024-08-14)
Field: Chemistry — Organic Chemistry

Microwave Electro-technological Installation for Processing Vegetable-origin Organic Materials and Agricultural Crops The research aims to conduct experimental studies of the drying schedule for processing vegetable-origin organic materials using a microwave electro-technological installation. The design and development of a microwave electro-technological installation for processing vegetable-origin organic materials and agricultural crops are based on the solution of an agreed boundary value problem of electrodynamics and heat and mass transfer. The experiments on the microwave processing of vegetable-origin organic materials using a microwave electro-technological installation allowed us to identify the preferred process conditions, which involve the work of 7 magnetrons and a rotation mechanism of vegetable-origin organic materials along their axis. The processing time is less than 15 hours; the final humidity does not exceed 7%. The temperature change is uniform. The temperature at a depth of 1/4 of the thickness of the samples differs from the temperature on the surface of the samples by 0.5–1.0°C. The differences in the calculated and experimental data on the humidity of organic materials of plant origin do not exceed 3.8%, and on temperature, it is 4.3%. The creation of a microwave installation for the simultaneous microwave processing of vegetable organic materials and agricultural crops will significantly increase the energy and economic efficiency of the installation by reducing the processing time and increasing the quality of dried material quality. Moreover, unlike the existing ones, the proposed electro-technological installation contributes to the sale of more than two products with improved qualities, thus increasing the profits at the same energy costs. Microwave ; Humidity ; Process engineering ; Agriculture ; Environmental science ; Schedule ; Materials processing ; Work (physics) ; Agricultural engineering ; Materials science ; Mechanical engineering ; Engineering ; Computer science ; Telecommunications ; Meteorology Microwave-Assisted Synthesis and Applications ; Freezing and Crystallization Processes
Authors: M. Khatamian | Saeedeh Khadivi Derakhshan | Shamin Hosseini Nami | Sara Fazli-Shokouhi
Source: Research Square (preprint, 2024-03-20)
Field: Chemistry — Organic Chemistry

Investigation into the elimination of nitrates using nano γ-alumina and magnetite-alumina nanocomposite adsorbents synthesized through different methods and precursor materials Nanocomposite ; Magnetite ; Nano- ; Adsorption ; Materials science ; Magnetite Nanoparticles ; Chemical engineering ; Nanotechnology ; Nanoparticle ; Chemistry ; Metallurgy ; Composite material ; Organic chemistry ; Magnetic nanoparticles Nanomaterials for catalytic reactions ; Ammonia Synthesis and Nitrogen Reduction ; Adsorption and biosorption for pollutant removal
Authors: M. Khatamian | Saeedeh Khadivi Derakhshan | Shamin Hosseini Nami | Sara Fazli-Shokouhi
Source: Research Square (preprint, 2024-02-20)
Field: Chemistry — Organic Chemistry

Synthesis, characterization, and nitrate removal study of nano γ-alumina and magnetite-alumina nanocomposite adsorbents prepared by various methods and precursors Nanocomposite ; Magnetite ; Characterization (materials science) ; Adsorption ; Nano- ; Materials science ; Nitrate ; Magnetite Nanoparticles ; Chemical engineering ; Nanoparticle ; Nanotechnology ; Chemistry ; Metallurgy ; Composite material ; Magnetic nanoparticles ; Organic chemistry ; Engineering Nanomaterials for catalytic reactions ; Adsorption and biosorption for pollutant removal ; Ammonia Synthesis and Nitrogen Reduction
Authors: Olga B. Bekker | Olesya O. Galanova | Aleksey A. Vatlin | Svetlana G. Frolova | Egor Shitikov | Dmitry Bespiatykh | Ksenia M. Klimina | Vladimir A. Veselovsky | Rustem Ilyasov | Svetlana V. Smirnova | Diana A. Reznikova | N. I. Kochetkov | Dmitry A. Maslov | В. Н. Даниленко
Source: Preprints.org (preprint, 2024-11-28)
Field: Chemistry — Organic Chemistry

A Quinoxaline 1,4-Dioxide Activates DNA Repair Systems in &lt;i&gt;Mycobacterium smegmatis&lt;/i&gt;: A Transcriptomic Study In 2022, the World Health Organization reported that tuberculosis (TB) was the second highest cause of death globally from a single infectious agent, following COVID-19. Development of new antitubercular agents with a novel mechanism of action for use in the complex TB therapy is considered one of the key approaches for fighting TB. In this study we examined the gene expression profile of M. smegmatis when exposed to a promising antituberculosis agent quinoxaline 1,4-dioxide (QdNO) 7-chloro-2-(ethoxycarbonyl)-3-methyl-6-(piperazin-1-yl)quinoxaline-1,4-dioxide-1 (LCTA-3368). We looked at how the bacterial response changed with different doses (1/4 &amp;times; MIC, 1/2 &amp;times; MIC, and 1 x MIC) and durations (30 min and 90 min) of treatment with the drug. Our analysis revealed significant upregulation of the expression of genes involved in DNA repair and replication processes, and changes in the expression of 95 genes encoding proteins with oxidoreductase activity. This confirmed the assumption about the mechanism of antibacterial action of QdNOs associated with the formation of free radicals leading to DNA damage. Mycobacterium smegmatis ; Transcriptome ; DNA repair ; Mycobacterium tuberculosis ; DNA ; Chemistry ; Mechanism of action ; Quinoxaline ; Gene ; DNA damage ; Downregulation and upregulation ; Mycobacterium abscessus ; Microbiology ; Gene expression ; Biology ; Mycobacterium ; Tuberculosis ; Bacteria ; Medicine ; Biochemistry ; Genetics Synthesis and Biological Evaluation ; Bioactive Compounds and Antitumor Agents