jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Glory J Okore | P. I. Okeke | Appolinus.I. Ehirim | Blessing C Ejiogu | Sunday Okore | Kenneth O Amanze | Nleonu Emmanuel Chile
Source: Preprints.org (preprint, 2025-02-18)
Field: Materials Science — Materials Chemistry

Green Corrosion Inhibition of Aluminium in Acidic Environment Using &lt;em&gt;Hibiscus sabdariffa &lt;/em&gt;Leaf Extracts The study aimed at evaluating the potential of Hibiscus sabdariffa leaf extract (HSLE) to retard the corrosion of aluminum in 0.1 M and 1 M HCl. Weight loss measurements and potentiodynamic polarization techniques were employed for the study. The mechanism of corrosion was also determined using Langmuir adsorption isotherm. Ethanolic extracts of Hibiscus sabdariffa leaves were obtained and used to prepare different concentrations ranging from 500 mg/L to 3000 mg/L and corrosion rate measurements were taken over time intervals of 24-120 hours for mild steel immersed in 0.1 M and 1 M HCl in the presence and absence of HSLE. The results showed that HSLE is a good inhibitor of aluminum corrosion under the studied conditions. Excellent inhibition efficiencies of 95.1 % and 96.2 % were obtained for 0.1 M and 1 M HCl respectively. The corrosion rate was retarded with an increase in concentration of HSLE and almost approached zero at 24 hours for 1 M HCl and at 96 and 120 hours for 0.1 M HCl. The mechanism of corrosion inhibition was physiosorption. Electrochemical result showed HSLE as a mixed-type inhibitor, retarding the corrosion potential and current density, and shifting the cathodic and anodic arms of the curve. Hibiscus sabdariffa ; Aluminium ; Corrosion ; Hibiscus ; Chemistry ; Nuclear chemistry ; Metallurgy ; Food science ; Botany ; Biology ; Materials science ; Organic chemistry Corrosion Behavior and Inhibition ; Construction Engineering and Safety ; Concrete Corrosion and Durability
Authors: Esma Mutlutürk
Source: Gazi Üniversitesi Fen Fakültesi Dergisi (article, 2025-11-29)
Field: Materials Science — Surfaces, Coatings and Films

Fonksiyonel TiO₂-SP/PDMS Kompozit Süngerlerin Hazırlanması ve Boya, Metal, Yağ Giderimi Uygulamaları Bu çalışmada, çevresel açıdan zararlı metilen mavisi boyası, metal iyonları ve yağların giderimi amacıyla, çok işlevli ve sürdürülebilir bir kompozit sünger sistemi geliştirildi. Titanyumdioksit (TiO₂) partikülleri, izosiyanat uç grubu taşıyan silan ajan (IPTMS) ile yüzey modifikasyonu ardından ışığa duyarlı spiropiran molekülü ile fonksiyonelleştirilerek TiO₂-SP yapısı elde edildi. TiO₂-SP partiküllerinin sulu ortamlardan kolayca geri kazanımını sağlamak amacıyla, polidimetilsiloksan (PDMS) sünger matrisi içerisinde homojen bir şekilde dağıtılarak gözenekli ve esnek yapıda makroskobik kompozit süngerler (TiO₂-SP/PDMS)hazırlandı. Süngerlerin yapısal özellikleri ATR-FTIR spektroskopisi, morfolojik yapısı taramalı elektron mikroskobu (SEM), hidrofobik özellikleri su temas açısı ölçümleri ve mekanik özellikleri sıkıştırma testleri ile karakterize edildi. Üretilen TiO₂-SP/PDMS kompozit süngerler, 1 gram başına % 25,1 ± 8,1 metilen mavisi giderimi ve 4,51 mg•g⁻¹ Cu²⁺ iyonu adsorpsiyon kapasitesi ile etkili bir performans sergiledi. Temas açısı ölçümleri sonucunda, sünger yüzeylerinin suya karşı ortalama 129,2 ° temas açısı ile belirgin bir hidrofobik karakter sergilediği tespit edilmiştir. Ayrıca, TiO₂-SP/PDMS kompozit süngerlerin hekzan, silikon yağı, diklorometan, ayçiçeği yağı ve toluen absorpsiyon kapasiteleri sırasıyla yaklaşık %338, %245, %284, %256 ve %366 olarak ölçülmüştür. Tüm bu sonuçlar, geliştirilen TiO₂-SP/PDMS kompozit süngerlerin, boya ve metal iyonlarının giderimi ile yağ-su ayırımı gibi çeşitli çevresel uygulamalarda alternatif bir malzeme olarak önemli katkılar sunma potansiyeline sahip olduğunu ortaya koymaktadır. Occupational exposure ; Work safety ; Washer Surface Modification and Superhydrophobicity ; Hydrogels: synthesis, properties, applications ; Membrane Separation Technologies
Authors: Zhiming Shen | Hiroyuki Saito | Wataru Mita | Yuya Takimoto | Takeshi Fujihara | Hong‐Baek Cho | Hisayuki Suematsu | Tadachika Nakayama | Koichi Niihara
Source: Journal of Applied Polymer Science (article, 2025-09-11)
Field: Materials Science — Ceramics and Composites

Fabrication of <scp>3D</scp> Micron T‐Shaped <scp>SiC</scp> /Silicone Rubber Composites With Nonlinear Conductivity ABSTRACT Polymer‐based electronic packaging materials often suffer from surface charge accumulation and transient overvoltage, creating a need for advanced self‐adaptive dielectrics with nonlinear conductive properties. In this work, a switching DC/AC electric field‐induced self‐assembly method was developed to fabricate three‐dimensional micron T‐shaped silicon carbide/silicone rubber (T‐SiC) composite films with a low filler loading of 2 vol%. By utilizing an electrode–insulator–suspension–electrode system, the SiC fillers were directed to self‐assemble into a unique architecture comprising a SiC‐enriched upper surface connected by chain‐like structures across the film thickness. Electrical measurements demonstrated pronounced nonlinear conduction in the T‐SiC films, with resistance decreasing sharply under high electric fields. Under high‐voltage nanosecond pulses (3 kV, 100 ns), the T‐SiC films exhibited rapid surface charge dissipation, effectively preventing charge accumulation and suppressing voltage escalation. Furthermore, a nondestructive indirect technique combining scanning electron microscopy and image processing was developed to quantify micrometer‐scale surface charge distribution. The SiC‐enriched surface showed negligible charge buildup, whereas the SiC‐sparse surface exhibited localized accumulation. These findings highlight T‐SiC films as promising candidates for high‐reliability electronic packaging materials. Scanning electron microscope ; Fabrication ; Nanosecond ; Dielectric ; Electrical conductor ; Composite number ; Surface charge ; Natural rubber ; Surface conductivity Advanced ceramic materials synthesis ; Aluminum Alloys Composites Properties ; Thermal properties of materials
Authors: Pratibha Singh | Babu Nand Choudhary
Source: International Journal of Biochemistry Research & Review (article, 2025-04-02)
Field: Chemistry — Organic Chemistry

Synthesis and Biological Evaluation of Quinoxaline-Based Compounds as Potential Antiviral Agents against Emerging Viruses Quinoxalines are nitrogen-rich heterocyclic compounds that have attracted a lot of attention in scientific research because of their important biological activities and multifaceted functionalization capabilities. The study's scope includes their use as powerful antiviral agents, especially in the field of respiratory diseases, which is a major concern in this thorough review. Potential influenza inhibitors, anti-SARS coronavirus inhibitors, anti-SARS-CO-2 coronavirus inhibitors, and various respiratory antiviral activities are some of their notable pharmacological effects. As a result, several of these quinoxalines have been described in the literature for their stated biological effects using a variety of synthetic techniques. Along with a summary of recent research, we offered insights into quinoxaline synthesis, the structure–activity relationship (SAR), and antiviral activities in this review. The article further encapsulates the gamut of past and ongoing research efforts in the design and synthetic exploration of antiviral scaffolds, with a pronounced emphasis on their strategic deployment against viral pandemics, contextualized against the tapestry of the recent terms. Quinoxaline ; Virology ; Chemistry ; Combinatorial chemistry ; Computational biology ; Biology ; Organic chemistry Synthesis and Biological Evaluation
Authors: Lewis J. Conway | Chris J. Pickard
Source: ArXiv.org (preprint, 2025-09-27)
Field: Materials Science — Materials Chemistry

Accelerating Crystal Structure Prediction Using Data-Derived Potentials: High-Pressure Binary Hydrides Crystal structures can be predicted from first-principles using ab initio random structure searching AIRSS and density functional theory (DFT). AIRSS provides a method to sample the potential energy landscape and DFT provides a robust and accurate description of that landscape. Classical interatomic potentials can describe energy landscapes at a significantly lower computational cost, typically at the expense of robustness and accuracy. Modern machine-learning interatomic potentials offer a compromise, with greater robustness and accuracy than classical potentials at a fraction of the computational cost of DFT. In this work, we use Ephemeral Data-Derived Potentials EDDPs to perform accelerated AIRSS calculations for the binary hydrides at 100 GPa. Since the training data is generated iteratively using AIRSS, the searches can be performed with no prior knowledge of hydrides. These potentials allow for more diverse searches, sampling a wider range of compositions, larger unit cells, and orders-of-magnitude more structures. In addition to recovering many of the known structures, the searches reveal structures such as the hydrogen-rich phases of H$_{22}$(BrH), H$_{23}$Pb, and H$_{32}$Mg, supermolecular phases of H$_{25}$Cs and H$_{26}$Rn, and many substoichiometric variants of known hydrides. Our results indicate that using the current generation of pretrained universal MLIPs to search for novel high-pressure hydrides is less effective due to model instabilities or markedly slower inference speeds and highlight the necessity of generating new, targeted data to drive further discoveries. Robustness (evolution) ; Binary number ; Crystal structure prediction ; Interatomic potential ; Density functional theory ; Ab initio ; Inference ; Ab initio quantum chemistry methods Nuclear Materials and Properties ; Machine Learning in Materials Science ; X-ray Diffraction in Crystallography
Authors: Chandrasekar Raja
Source: REST Journal on Advances in Mechanical Engineering (article, 2025-03-10)
Field: Materials Science — Materials Chemistry

Optimizing Piston Material Choice in Automotive Engines Using the Weighted Product Method The meticulous selection of piston materials for automotive engines involves evaluating various properties and performance criteria. This study aims to assess the suitability of eight potential materials – Aluminum 2618-T61, Aluminum 4032-T6, Aluminum A360.0-F die casting alloy, Aluminum 6061-T6, Grey cast iron, AISI 8660 steel, AISI 4140 steel, and Ductile iron grade 65–45-12 – for piston applications using the Weighted Product Method (WPM), an approach in Multi-Criteria Decision Making (MCDM). The evaluation criteria include Knoop hardness, yield strength, modulus of elasticity, specific heat capacity, machinability, fatigue strength, density, and material cost. The WPM allows for a comprehensive assessment, incorporating normalized values and equal weighting across all criteria. The analysis identified AISI 4140 steel as the most suitable option, ranking first with the highest preference score. Following closely behind, AISI 8660 steel emerged as the second-best choice, with Aluminum 2618-T61 and Ductile iron grade 65–45-12 also ranking highly. In contrast, Aluminum 6061-T6, Aluminum 4032-T6, Grey cast iron, and Aluminum A360.0-F die casting alloy occupied lower ranks. While the Weighted Product Method (WPM) provided a systematic framework for evaluating material alternatives across multiple criteria, practical applications may require adjustments to criterion weightage based on specific requirements. It is essential to consider these findings alongside other relevant factors, such as environmental impact and compatibility with manufacturing processes. Cast iron ; Automotive industry ; Piston (optics) ; Aluminium ; Weighting ; Ranking (information retrieval) ; Material selection ; Casting Material Selection and Properties ; Engineering and Materials Science Studies ; Mechanical Engineering and Vibrations Research
Authors: M S Divyashree | A. Ganga | Saikat Dutta
Source: Archives of Current Research International (article, 2025-04-05)
Field: Materials Science — Materials Chemistry

Pickering Emulsions: An Emerging Clean-label Emulsion Technology and its Applications in the Food Industry Pickering emulsions, stabilized by solid particles instead of traditional surfactants, have garnered significant attention for their potential applications in the food industry. This review explores the fundamental principles, and provides a comprehensive overview of the mechanisms behind the stabilization of Pickering emulsions, with theories on the adsorption of solid particles at the oil-water interface mechanisms, significant parameters affecting the stability of emulsion such as wettability, particle size, shape, surface charge, etc. Additionally, various preparation methodologies for creating Pickering emulsions, including high-energy and low-energy methods are mentioned. Their key applications in beverages, dairy products, sauces, dressings, packaging, and preservation are highlighted along with a brief description of how they enhance texture, stability, and product performance is reported. Their advantages, particularly the role in creating stable, natural, and clean-label food products and challenges for their commercial applications been discussed. Being a novel approach in emulsion technology. Pickering emulsions are the active area for research for developing sustainable emulsions for the food industry. Emulsion ; Pickering emulsion ; Food industry ; Business ; Clean-up ; Clean technology ; Commerce ; Biochemical engineering ; Food science ; Chemistry ; Chemical engineering ; Engineering ; Chromatography ; Political science Pickering emulsions and particle stabilization
Authors: Kibum Moon | Adam E. Green | Kostadin Kushlev
Source:  (preprint, 2025-09-11)
Field: Materials Science — Materials Chemistry

Homogenizing Effect of Large Language Models (LLMs) on Creative Diversity: An Empirical Comparison of Human and ChatGPT Writing Generative AI systems, especially Large Language Models (LLMs) such as ChatGPT, have recently emerged as significant contributors to creative processes. While LLMs can produce creative content that might be as good as or even better than human-created content, their widespread use risks reducing creative diversity across groups of people. In the present research, we aimed to quantify this homogenizing effect of LLMs on creative diversity, not only at the individual level but also at the collective level. Across three preregistered studies, we analyzed 2,200 college admissions essays. Using a novel measure—the diversity growth rate—we showed that each additional human-written essay contributed more new ideas than did each additional GPT-4 essay. Notably, this difference became more pronounced as more essays were included in the analysis and persisted despite efforts to enhance AI-generated content through both prompt and parameter modifications. Overall, our findings suggest that, despite their potential to enhance individual creativity, the widespread use of LLMs could diminish the collective diversity of creative ideas. Diversity (politics) ; Empirical research ; Creativity ; Cultural diversity ; Creative writing ; Variation (astronomy) Machine Learning in Materials Science ; Artificial Intelligence in Healthcare and Education ; Ferroelectric and Negative Capacitance Devices
Authors: Wibowo Wibowo | Nehemia Herbert Santoso | Brilliano Wahyu Ramadhan | Wibawa Endra Juwana | Mujtahid Kaavessina
Source: JURNAL ILMU FISIKA | UNIVERSITAS ANDALAS (article, 2025-10-05)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Effect of Freshwater and Seawater Immersion on Mechanical Properties and Pre-Immersion Magnetic Response of Silicone Rubber–Magnetite Composite Magnets Magnetite (Fe₃O₄) and RTV 48 silicone rubber-based magnetic composites have potential for outdoor applications due to their flexible and tunable magnetic properties. This study investigates the effect of immersion for 14 days in fresh water and seawater on its mechanical, magnetic, and thermal properties. Specimens were made by mixing 70 wt% Fe₃O₄ powder into RTV 48 matrix, then tested for hardness using Shore A durometer, magnetic properties using Vibrating Sample Magnetometer (VSM), and thermal stability using Thermogravimetric Analysis (TGA). Results showed a decrease in surface hardness due to matrix degradation by water penetration. The magnetic properties continued to exhibit soft magnetic characteristics with low coercivity and remanence. TGA analysis revealed changes in thermal degradation patterns, signaling chemical interactions between the material and the wet environment. These findings suggest that exposure to water can affect the long-term performance of Fe₃O₄-RTV 48 composites, making moisture resistance an important aspect for their outdoor applications. Thermogravimetric analysis ; Thermal stability ; Silicone ; Coercivity ; Seawater ; Magnetometer ; Composite number ; Shore durometer Magnetic Properties of Alloys ; Magnetic and Electromagnetic Effects ; Magnetic Properties and Applications
Authors: Changqing Li | Ben Yang | Shukun Shen | Bei He | Yujia Luo | Pujun Jin
Source: Research Square (preprint, 2025-05-30)
Field: Materials Science — Materials Chemistry

Preparation of composite silane films doped with nano-SiO2 and their corrosion inhibition performance on simulated bronze Bronze ; Silane ; Nano- ; Materials science ; Corrosion ; Composite number ; Doping ; Nanotechnology ; Composite material ; Metallurgy ; Optoelectronics Anodic Oxide Films and Nanostructures ; Corrosion Behavior and Inhibition ; Copper Interconnects and Reliability
Authors: DuJiang Yang | Jiexiang Yang | GuoYou Wang
Source:  (article, 2025-09-26)
Field: Chemistry — Physical and Theoretical Chemistry

Prospects and Precautions: A Critical Roadmap for the Clinical Translation of Organic Charge Transfer Photothermal Cocrystals This Letter provides a critical analysis and prospective outlook on the field of organic charge-transfer (CT) photothermal cocrystals for biomedical applications, as recently reviewed by Khan et al. While acknowledging the significant promise of these Photothermal therapy ; Charge (physics) ; Field (mathematics) ; Quantum dot ; Organic chemicals Crystallography and molecular interactions ; Chalcogenide Semiconductor Thin Films
Authors: Aida Smajlagić | Majda Srabović | Melita Huremović | Zahida Ademović | Ekrem Pehlić
Source: Journal of Scientific Research and Reports (article, 2025-01-20)
Field: Chemistry — Organic Chemistry

Synthesis and Characterization of Metal Complexes of Mg(II) and Cu(II) Ions with N-(4-hydroxyphenyl) Acetamide N-(4-hydroxyphenyl) acetamide or paracetamol is an acylated aromatic amide used as analgesic and antipyretic to relieve pain and reduce body temperature. In medicinal chemistry, there is a growing interest in the development of drugs based on metal complexes, which are of great importance in therapeutic and diagnostic possibilities. Selected metals, magnesium and copper are elements that are extremely important for the human body. In this research, complexes of Mg(II) and Cu(II)-ions with N-(4-hydroxyphenyl) acetamide were synthesized and confirmed with FTIR, UV and MS spectroscopy. The results of the analysis of the synthesized complexes spectra indicate interactions between N-(4-hydroxyphenyl) acetamide and metal Mg(II)-ions and Cu (II)-ions via O-donor and N-donor atoms. Acetamide ; Metal ions in aqueous solution ; Characterization (materials science) ; Metal ; Chemistry ; Ion ; Nuclear chemistry ; Inorganic chemistry ; Materials science ; Nanotechnology ; Organic chemistry Inorganic and Organometallic Chemistry
Authors: Alistair W. T. King | Antti Paajanen | Ella Mahlamäki | Mikko Mäkelä | Paavo A. Penttilä | Michael Cordin | Avinash P. Manian | Mari Leino | Elisa Spönla | Maritta Svanberg | Tetyana V. Koso | A. Tanaka | Vuokko Liukkonen | Amalie Solberg | Anniina Savolainen | Hannes Orelma | Antti Korpela | Kristin Syverud | Ali Harlin
Source: RSC Sustainability (article, 2025-01-01)
Field: Materials Science — Biomaterials

Controlled surface acetylation of cellulosics to tune biodegradability – expanding their use towards conventional plastics Low DS spatioselective acetylation of paper shows control over biodegradability, without bulk modification of the fibres. Acetylation ; Biodegradation ; Degradation (telecommunications) ; Surface modification ; Bacteria biodegradable polymer synthesis and properties
Authors: Kostiantyn Shabelnyk | Lyudmyla Antypenko | Natalia Bohdan | Victor Ryzhenko | И. Ф. Беленичев | Oleksandr Kamyshnyi | Valentyn Oksenych | С. І. Коваленко
Source: Preprints.org (preprint, 2025-04-24)
Field: Chemistry — Physical and Theoretical Chemistry

Search for Potential Neuroprotectors for Correction of Cognitive and Behavioral Disorders After Ketamine Anesthesia Among 2′-R-6’H-Spiro(cycloalkyl-, heterocyclyl)[1,2,4]triazolo[1,5-&lt;em&gt;c&lt;/em&gt;]Quinazolines: Fragment-Oriented Design, Molecular Docking, ADMET, Synthesis and &lt;em&gt;In Vivo&lt;/em&gt; Study Background: Ketamine anesthesia frequently causes postoperative cognitive dysfunction and behavioral disorders, with limited effective therapeutic options. This study explores novel neuroprotective compounds targeting multiple pathways in neurological disorders following ketamine anesthesia through the design, synthesis, and evaluation of 2'-R-6'H-spiro(cycloalkyl-, heterocyclyl)[1,2,4]triazolo[1,5-c]quinazolines. Methods: Using fragment-oriented design, we synthesized 40 spiro-triazoloquinazolines via [5+1]-cyclocondensation. Molecular docking assessed binding affinities to glutamate receptor GluA3, while ADMET analyses evaluated pharmacokinetic properties. Selected compounds were tested in a ketamine-induced cognitive impairment rat model with behavioral assessment via open field test. Neurobiochemical analyses measured inflammatory markers, apoptotic regulators, and gene expression in hippocampal tissue. Results: Molecular docking showed superior binding affinities to GluA3 compared to reference nootropics, while ADMET analyses confirmed favorable drug-likeness profiles. In vivo evaluation demonstrated compounds 25, 26, and 32 effectively normalized ketamine-disrupted behavioral parameters, reducing anxiety and improving cognitive function more effectively than piracetam and fabomotizole. Neurobiochemical analyses revealed compound-specific mechanisms: compound 31 showed potent anti-inflammatory effects (72% reduction in IL-1β, 80% reduction in caspase-1), while compound 26 enhanced cell survival pathways (96% increase in Bcl-2) and hypoxic adaptation (3.5-fold increase in HIF-1 mRNA). Structure-activity relationship analyses established that spiro-junction type and 2'-position substituent critically determine pharmacological profiles. Conclusions: These novel spiro-triazoloquinazolines demonstrate promising neuroprotective properties for treating cognitive and behavioral disorders associated with ketamine anesthesia through multiple mechanisms including anti-inflammatory, anti-apoptotic, and adaptive pathway modulation. Their superior efficacy compared to current treatments positions them as candidates for further development in post-anesthetic cognitive dysfunction and potentially in post-viral and trauma-related neurological conditions. Ketamine ; Cognition ; Psychology ; Anesthesia ; Medicine ; Psychiatry Various Chemistry Research Topics ; Anesthesia and Sedative Agents ; Chemistry and Chemical Engineering