jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: V. G. C. Samanmali | Anushka Rathnayake | Nishan Dharmaweera | Thilaksiri Bandara | R. T. De Silva | M.M.M.G.P.G. Mantilaka
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Surfaces, Coatings and Films

Optimizing dual hierarchical textured superhydrophobic paper for enhanced writing and printing performance: balancing water resistance and ink adhesion Superhydrophobic printable and writable cellulose paper preparation requirements are becoming increasingly significant in the current climate for a variety of important applications. The present work introduces a simple and successful approach for creating a superhydrophobic paper that can be printed and written on while maintaining its water repellent properties. The paper is coated with modified silica utilizing tetraethyl orthosilicate (TEOS), methyltriethoxysilane (MTES), 1H, 1H, 2H, 2H - perfluorooctyltriethoxysilane (PFOTES), and acrylic binder <i>via</i> a dip coating process. As a result of multi-layer deposition of silicon dioxide (SiO<sub>2</sub>) microbeads with nano-micro size mountain-like wrinkled coating on each bead, the treated paper develops a nano/microstructure with a water contact angle (WCA) of 152° ± 2° and a water sliding angle (WSA) of 7° ± 0.5°. This superhydrophobic surface retains its superhydrophobicity after 50 abrasion cycles on sandpaper and maintains its self-cleaning property with soil particles and many types of liquids. The superhydrophobic paper products have a higher tensile strength (∼6 MPa) than non-treated paper (∼2 MPa) while preserving superhydrophobicity across pH ranges 5-11. The treated papers show excellent printability and writability and retain their superhydrophobicity after printing and writing. This superhydrophobic paper can be used to create waterproof paper-based printed products and artwork. Sandpaper ; Superhydrophobic coating ; Contact angle ; Abrasion (mechanical) ; Coating ; Tetraethyl orthosilicate ; Inkwell ; Adhesion ; Ultimate tensile strength Surface Modification and Superhydrophobicity ; Advanced Cellulose Research Studies ; Electrospun Nanofibers in Biomedical Applications
Authors: Marwa Adel | Dalia S. Fathy | Osama Abo El-eneen
Source: Scientific Reports (article, 2025-08-20)
Field: Materials Science — Materials Chemistry

Environmentally sustainable epoxy nanocomposite coating reinforced with chitosan derived nitrogen doped graphene for enhanced corrosion resistance and mechanical performance The current study evaluates the anticorrosive performance of Epoxy coating augmented with a distinctive, environmentally safe, nitrogen-doped graphene. A simple, green, and single-step cost-effective route for synthesis graphene nanosheets doped with nitrogen (Gr) has been developed using direct-solvothermal treatment of chitosan, under gentle conditions. XRD, FTIR, SEM, XPS and Raman spectroscopy were employed to characterize the microstructure characteristics of N-doped graphene. Well separated flatten morphology with folding characteristics and extremely extended considerable average lateral dimensions further than 1.27 mm was detected. Graphene was successfully integrated into epoxy coatings on carbon steel substrates with different tiny graphene concentrations < 0.04 wt%. The coatings' corrosion resistance capabilities and accelerated durability tests were studied, including salt spray corrosion, bending, impact, adhesion, abrasion properties, wear resistance, and hardness. Comprehensive mechanical performance was investigated. Understanding the microstructural characteristics of Gr, the interface character of Gr/Epoxy coating composites with different Nanofiller loading and how these affect both the mechanism of the enhancement of corrosion protection process and their tensile behavior, were a focal point of interest. Remarkably, the coating with just 0.02 wt% Gr exhibited a 70% reduction in wear index compared to neat epoxy, along with significant enhancements in mechanical toughness showing a 573% increase in ultimate toughness and a 993% increase in toughness at fracture. These exceptional improvements are attributed to the strong interfacial bonding between Gr and the epoxy matrix, as well as the tortuous path created by the well-dispersed graphene sheets, which effectively dissipates energy during crack propagation. The findings reveal a pronounce toughening and strengthening effects for epoxy composites from nitrogen doped graphene reinforcement paving the way for "green" and mechanically superior structural composites. Materials science ; Graphene ; Epoxy ; Composite material ; Corrosion ; Microstructure ; Coating ; Toughness ; Fracture toughness ; Nanocomposite ; X-ray photoelectron spectroscopy ; Chemical engineering ; Nanotechnology Graphene research and applications ; Diamond and Carbon-based Materials Research ; Tribology and Wear Analysis
Authors: Kham Lek Chaton | Markus Meuwly
Source: Journal of Computational Chemistry (article, 2025-08-02)
Field: Materials Science — Materials Chemistry

Enhancing Empirical Energy Functions Using Physics‐ and Machine Learning‐Based Extensions: Structure, Dynamics and Spectroscopy of Modified Benzenes The effects of replacing individual contributions to an empirical energy function are assessed for halogenated benzenes (X-Bz, X = H, F, Cl, Br) and chlorinated phenols (Cl-PhOH). Introducing electrostatic models based on minimal distributed charges (MDCM) instead of usual atom-centered point charges (PCs) to realistically describe features such as σ-holes yields overestimated hydration free energies unless the van der Waals parameters are reparametrized. Scaling van der Waals ranges by 10% to 20% for three Cl-PhOH and most X-Bz yield results within experimental error bars, which is encouraging, whereas for benzene (H-Bz) PC-based models are sufficient. Replacing the bonded terms by a neural network-trained energy function featuring fluctuating atom-centered PCs also yields qualitatively correct hydration free energies, which can be brought into agreement with experiments within error bars after adaptation of the van der Waals parameters. The infrared spectroscopy of Cl-PhOH is rather well captured by all models, although the ML-based energy function performs somewhat better in the region of the framework modes. The present work finds that refinements of empirical energy functions for targeted applications are a meaningful way toward more quantitative and physics-based simulations. At the same time, empirical energy functions have matured to a remarkable degree, at least for the species considered in the present work. Spectroscopy ; Dynamics (music) ; Energy (signal processing) ; Statistical physics ; Computer science ; Computational chemistry ; Chemical physics ; Physics ; Chemistry ; Quantum mechanics Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Protein Structure and Dynamics
Authors: Yarkın A. Çetin | Laura Escorihuela | Benjamí Martorell | Francesc Serratosa
Source: ACS Omega (article, 2025-02-02)
Field: Materials Science — Materials Chemistry

Revisiting Water Adsorption on TiO<sub>2</sub> and ZnO Surfaces: An SCC-DFTB Molecular Dynamics Study Metal oxides (MOs) are the key materials in applications of biomedicine industrial technologies due to their versatile features. Knowing their possible toxicity level is crucial given some specific environments, particularly in water. We have learned that their reactivity almost depends on the electronic structure on the surface of the MOs. Thus, a detailed understanding of the electronic structure on the surface and its reactivity processes is useful for determining the toxicity in MOs and defining good descriptive parameters. We simulated the interaction of ZnO and TiO<sub>2</sub> slab models with water and checked their geometric and electronic structure changes from the bulk of the material to the water interface. To this end, we used the density functional tight binding theory coupled with finite temperature molecular dynamics. We have observed the interaction of water with the MO surface in terms of electronic and geometric parameters for several conditions, such as temperature, hydrogenated or clean, and exposed surface. In doing so, we provide molecular-level insights into topographical and electronic processes on MO surfaces besides finding critical points on the surface that can explain the initialization of dissolution processes. Thus, we reveal information about potential toxicity descriptors in a systematic analysis approach. Electronic structure ; Molecular dynamics ; Initialization ; Chemical physics ; Adsorption ; Dissolution ; Materials science ; Reactivity (psychology) ; Surface (topology) ; Density functional theory ; Nanotechnology ; Chemistry ; Computational chemistry ; Computer science ; Physical chemistry ; Mathematics ; Geometry Machine Learning in Materials Science ; Spectroscopy and Quantum Chemical Studies ; Molecular Junctions and Nanostructures
Authors: Ammar B. Altemimi | Farhang Hameed Awlqadr | Raqad Raheem AL-HATIM | Syamand Ahmed Qadir | Mohammed N. Saeed | Aryan Mahmood Faraj | Tablo H. Salih | Hafiz Sultan Mahmood | Mohammad Ali Hesarinejad | Francesco Calabrò
Source: eFood (review, 2025-07-04)
Field: Chemistry — Analytical Chemistry

AI‐Powered Advancements in Food Analysis and Safety: Ensuring Quality, Protection, and Precision in Modern Food Systems: A Review ABSTRACT The review paper is about the amazing influence that artificial intelligence (AI) has brought to the food production industry, as it gives much importance to food safety and quality assurance. It introduces the connection of AI technologies, including machine learning, deep learning, and computer vision, to enhancing food safety, control, and analysis. The role of AI in contaminant detection and spoilage prediction is underlined. One of the applications is using near‐infrared spectroscopy on a machine learning algorithm sample to determine if it contains any adulterants in olive oil. Also, trying to develop computer vision techniques that can soon be widely deployed to detect defects in the automated visual inspection of produce. Real‐time monitoring sensors incorporated in smart packaging solutions are among the AI that protects and manages the freshness and safety of perishable goods. The review, through analyzing up‐to‐date AI techniques in the food sector, also proposes potential remedies to the ongoing food issues that can lead to unhealthy and unsafe products. Furthermore, it sheds light on AI's role in food science and its function as a safeguarding agent of the youth sector in the food industry. Food safety ; Quality (philosophy) ; Risk analysis (engineering) ; Food quality ; Business ; Engineering ; Food science ; Biology Spectroscopy and Chemometric Analyses ; Identification and Quantification in Food ; Advanced Chemical Sensor Technologies
Authors: Qian He | Liyun Zhang
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Bimetallic and multimetallic nanozymes: synergistic catalysis for advanced biomedical and health applications Nanozymes are a class of nanomaterials with enzyme-mimetic catalytic activities. Owing to their high stability, tunable catalytic performance, and ease of preparation, they have emerged as important alternatives to natural enzymes. However, single-metal nanozymes often face challenges such as insufficient active sites, low catalytic efficiency, and limited functionality. The introduction of a second or multiple metals into nanozymes significantly boosts their catalytic efficiency and multifunctionality through intermetallic electronic coupling and synergy. This review systematically summarizes the latest research progress on nanozymes composed of Fe, Mn, Cu, Pt, Au, Pd, Ga, Mo, Ni, and multi-metallic systems. It focuses on their applications in therapeutic interventions and health monitoring strategies, which encompass not only highly sensitive biosensing for disease biomarkers but also the detection and degradation of environmental pollutants that pose significant risks to human health. Finally, we outline key challenges and future prospects in critical areas ranging from atomically-precise synthesis and mechanistic studies to the development of smart systems and clinical translation. Bimetallic strip ; Catalysis ; Human health ; Nanomaterials Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications ; Nanoparticles: synthesis and applications
Authors: Guang Zhang | Long Chen
Source: ChemPhysChem (article, 2025-02-18)
Field: Chemistry — Inorganic Chemistry

Two‐Dimensional Conductive Metal‐Organic Frameworks: Promising Materials for Advanced Energy Storage With the rapid development of science and technology and for a sustainable future, the main energy resources in the world are transitioning from fossil fuels to renewable electricity which is conceived to play a predominant role in the future. Therefore, it is essential to develop high-performance energy-storage devices such as supercapacitors and rechargeable batteries, and even though they are commercialized, intense research efforts are still devoted to further improving the device performance, e. g. energy density, safety, durability, and charging rate. Therefore, exploring new advanced materials for better devices is a promising approach. Recently, the emerging two-dimensional conductive metal-organic frameworks (2D c-MOFs) with their inherent electrical conductivities and porosity, rich redox active sites, and tailor-made architectures and functions have attracted considerable attention among the energy-storage community. The initial research results revealed that 2D c-MOFs are promising electrode materials for advanced energy storage. Supercapacitor ; Energy storage ; Nanotechnology ; Materials science ; Electricity ; Metal-organic framework ; Electrical conductor ; Fossil fuel ; Energy density ; Durability ; Sustainable energy ; Process engineering ; Renewable energy ; Engineering physics ; Electrode ; Waste management ; Engineering ; Electrical engineering ; Capacitance ; Chemistry ; Power (physics) ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Supercapacitor Materials and Fabrication
Authors: Faisal Mahmood | Christian Fabrice Magoua Mbeugang | Furqan Asghar | Xing Xie | Dan Lin | Dongjing Liu | Bin Li
Source: Materials (review, 2025-06-18)
Field: Materials Science — Materials Chemistry

Understanding the Synthesis of Turbostratic/Flash Graphene via Joule Heating The introduction of the Joule heating (JH) method for synthesizing turbostratic graphene has attracted considerable attention from researchers due to its promising potential for commercialization compared to earlier techniques. Numerous studies have outlined the technology's basic operation and how parameters such as electric field, operating time, and temperature influence the quality and type of graphene produced. Despite this, there is still a lack of concise and comprehensive studies that exclusively focus on the JH method with turbostratic graphene as the target product. This review article is a facile attempt to provide the scientific community with an overview of the historical development and operational principles of Joule heating. It also discusses the structural and fundamental differences between turbostratic and conventional graphene, along with methodologies for characterizing turbostratic graphene. Furthermore, the synthesis mechanisms of turbostratic graphene via JH are analyzed, and the future perspectives for advancing this method are also presented. Joule heating ; Graphene ; Materials science ; Flash (photography) ; Nanotechnology ; Joule (programming language) ; Engineering physics ; Optoelectronics ; Composite material ; Electrical engineering ; Optics ; Physics ; Engineering Graphene research and applications ; Graphene and Nanomaterials Applications ; Supercapacitor Materials and Fabrication
Authors: Parham Joolaei Ahranjani | Hamed Sadatfaraji | Kamine Dehghan | Vaibhav A. Edlabadkar | Prakash Khadka | Ifeanyi Nwobodo | VN Ramachander Turaga | Judith A. Disney | Hamid Rashidi Nodeh
Source: Journal of Composites Science (review, 2025-07-26)
Field: Chemistry — Analytical Chemistry

Recent Advances in the Development and Industrial Applications of Wax Inhibitors: A Comprehensive Review of Nano, Green, and Classic Materials Approaches Wax deposition, driven by the crystallization of long-chain n-alkanes, poses severe challenges across industries such as petroleum, oil and natural gas, food processing, and chemical manufacturing. This phenomenon compromises flow efficiency, increases energy demands, and necessitates costly maintenance interventions. Wax inhibitors, designed to mitigate these issues, operate by altering wax crystallization, aggregation, and adhesion over the pipelines. Classic wax inhibitors, comprising synthetic polymers and natural compounds, have been widely utilized due to their established efficiency and scalability. However, synthetic inhibitors face environmental concerns, while natural inhibitors exhibit reduced performance under extreme conditions. The advent of nano-based wax inhibitors has revolutionized wax management strategies. These advanced materials, including nanoparticles, nanoemulsions, and nanocomposites, leverage their high surface area and tunable interfacial properties to enhance efficiency, particularly in harsh environments. While offering superior performance, nano-based inhibitors are constrained by high production costs, scalability challenges, and potential environmental risks. In parallel, the development of “green” wax inhibitors derived from renewable resources such as vegetable oils addresses sustainability demands. These eco-friendly formulations introduce functionalities that reinforce inhibitory interactions with wax crystals, enabling effective deposition control while reducing reliance on synthetic components. This review provides a comprehensive analysis of the mechanisms, applications, and comparative performance of classic and nano-based wax inhibitors. It highlights the growing integration of sustainable and hybrid approaches that combine the reliability of classic inhibitors with the advanced capabilities of nano-based systems. Future directions emphasize the need for cost-effective, eco-friendly solutions through innovations in material science, computational modeling, and biotechnology. Nanotechnology ; Nano- ; Wax ; Biochemical engineering ; Engineering ; Materials science ; Composite material ; Chemical engineering Petroleum Processing and Analysis ; Enhanced Oil Recovery Techniques ; Lignin and Wood Chemistry
Authors: Md. Ismail Hossain | M.S. Rabbi | MS Ali
Source: RSC Advances (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Shape memory alloys in modern engineering: progress, problems, and prospects Modern industrial innovation demands smart materials capable of fulfilling multifaceted objectives. Epitomizing mechanical adaptability, shape memory alloys address the escalating need for high-performance materials in today's technological sphere. These unique materials with high actuation strain, energy density and biocompatibility have remained conspicuous in various fields for many years. However, despite their transformative potential, SMA applications face persistent challenges that hinder their full industrial adoption. Recent advancements have dramatically expanded SMA capabilities, yet these developments remain fragmented across disparate disciplines. Hence, this review outlines modern trends in SMA technologies to identify performance gaps and establish a roadmap for future applications. A concise exposition on the intrinsic properties of SMAs that empowers them with idiosyncratic abilities has been illustrated. Subsequently, the article discusses the technological frontiers of SMAs in diverse fields spotlighting the novel designs. The performance and applicability of SMAs are intrinsically governed by their processing methodologies. Industrial adoption hinges not just on material potential, but on scalable processing methods that balance cost and performance. This further delves into the intricacies of manufacturing and machining techniques that have facilitated precision and optimization of these materials. The study aspires to serve as an exhaustive compendium for researchers, delineating prevailing breakthroughs, unresolved challenges while envisioning potential avenues for future research. SMA* ; Compendium ; Shape-memory alloy ; Transformative learning ; Smart material ; Exposition (narrative) ; Field (mathematics) Shape Memory Alloy Transformations ; Titanium Alloys Microstructure and Properties ; Advanced Memory and Neural Computing
Authors: Ali Taheri | Seyed Pezhman Shirmardi
Source: Reviews in Chemical Engineering (review, 2025-02-06)
Field: Chemistry — Analytical Chemistry

Applications of ionizing irradiation in oil industry: a review Abstract Ionizing radiation offers unique opportunities for addressing critical challenges in the oil industry, including efficient hydrocarbon processing and environmental remediation. This review highlights the diverse applications of ionizing radiation in oil-related processes, such as cracking, polymerization, desulfurization, and the treatment of oilfield-produced wastewater. By synthesizing findings from recent studies, this paper emphasizes the advantages of radiation technologies in enhancing process efficiency, reducing environmental impact, and supporting sustainable energy production. The necessity of this review lies in bridging knowledge gaps, identifying emerging trends, and fostering the broader adoption of advanced radiation-based technologies in the oil sector. Ionizing radiation ; Business ; Petroleum industry ; Materials processing ; Environmental remediation ; Environmental science ; Process engineering ; Waste management ; Biochemical engineering ; Risk analysis (engineering) ; Engineering ; Irradiation ; Environmental engineering Petroleum Processing and Analysis ; Catalysis and Hydrodesulfurization Studies ; Catalytic Processes in Materials Science
Authors: Jun-Yi Zhao | Chao Zhang | Zhijie Qiu | Zerong Zhang | Xiaorou Lin | Shibin Huang | Jianfeng Zhang | Jingpeng Wu | Li Liao | Rui Wang
Source: Sensors (article, 2025-04-04)
Field: Materials Science — Materials Chemistry

Novel Europium-Grafted 3D Covalent Organic Framework for Selective and Sensitive Fluorescence-Enhanced Detection of Levofloxacin Levofloxacin (LVFX), a fluoroquinolone antibacterial agent widely used in treating bacterial infections, poses significant risks when overused, necessitating the development of reliable and efficient detection methods. Herein, we introduce Eu@SUZ-103, a novel europium-grafted three-dimensional covalent organic framework (COF) featuring an eight-connected <b><i>bcu</i></b> net, for the selective detection of LVFX in serum and urine. Its 3D architecture facilitates rapid LVFX diffusion to luminescent sites, producing notably enhanced fluorescence and high sensitivity. Evaluations in complex biological matrices revealed excellent performance encompassing a broad linear range (5-2000 μM) and a low detection limit. Altogether, Eu@SUZ-103 extends the practical scope of 3D COFs in fluorescence-based sensing, offering a robust platform for accurate, efficient, and selective LVFX monitoring in clinical and environmental applications. Europium ; Covalent bond ; Fluorescence ; Covalent organic framework ; Chemistry ; Combinatorial chemistry ; Nanotechnology ; Materials science ; Organic chemistry ; Optics Covalent Organic Framework Applications ; Advanced biosensing and bioanalysis techniques ; Advanced Photocatalysis Techniques