jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Khalil Azzaoui | Mohamed Aaddouz | Shehdeh Jodeh | B. Hammouti | Ghadir Hanbali | Rachid Sabbahi | Savaş Kaya | Konstantin P. Katin | Mohammed Merzouki | Solhe F. Alshahateet | Mohammed M. Alanazi | Larbi Rhazi | A. Chakir
Source: Scientific Reports (article, 2025-03-27)
Field: Materials Science — Biomaterials

A novel approach to prepare a composite of hydroxyapatite with cellulose nanocomposites by novel methods including theoretical studies This paper presents a novel cheminformatics approach for the design and synthesis of hydroxyapatite/cellulose nanocomposites, which have potential biomedical and environmental applications, removal of dyes. The nanocomposites are synthesized by the co-precipitation method with different ratios of hydroxyapatite and cellulose. Over the past decade, calcium phosphate composites and similar biomaterials have seen commercial use in bone substitution and allograft applications. These biomaterial composites, which include an organic matrix and an inorganic mineral, have been developed. The principal inorganic component is hydroxyapatite, with the organic matrix made of cellulose derived from Esparto "STIPA TENACISSIMA TENDRARA" which covers the territory of Tendrara, from Eastern-Morocco. The final product received extensive characterization using techniques such as FTIR, XRD, thermal analysis, Morphological studies, XPS, 31P NMR, AFM, SEM, Ligand preparation and Prediction of ADME/Toxicity Properties, with SEM micrographs revealing the product's nanometric size, XRD analysis show that a significant hydrogen bonding interaction between HAp and cellulose may have occurred as the cellulose peak intensity steadily decreased with HAp level. Concurrently, enterprises have been recorded discharging substantial amounts of methylene blue into natural water sources, raising worries about human health and ecosystems. Computational analysis revealed the compound's properties, revealing potential side effects and environmental risks. Toxicity tests have identified considerable hazards, particularly for cardiac problems, necessitating cautious use. Theoretical computations confirmed the composites' high contact strength, particularly when HAp, Ce, and HAp/Ce were deprotonated. These findings are consistent with experimental evidence. Theoretical calculations utilizing Monte Carlo (MC) and Molecular Dynamic (MD) simulation models revealed that the produced foams had an outstanding affinity for methylene blue, as shown by strongly negative adsorption energy values indicating strong interactions with adsorbate surfaces. Based on the calculated chemical hardness values for the adsorbent, adsorbate, and the complex system, it can be inferred that the adsorbent system demonstrates a higher level of hardness in comparison to the adsorbate. Nanocomposite ; Composite number ; Cellulose ; Materials science ; Composite material ; Computer science ; Chemical engineering ; Engineering biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies ; Natural Fiber Reinforced Composites
Authors: Iftikhar Hussain | Riffat Amna | B. Kalidasan | Gokana Mohana Rani | Hari Bandi | Sada Venkateswarlu | Shahid Ali Khan | Debananda Mohapatra | Kaili Zhang
Source: SmartMat (article, 2025-04-01)
Field: Materials Science — Materials Chemistry

MXenes for Various Applications: Recent Trends and Future Aspects ABSTRACT Two‐dimensional (2D) MXene structure, versatile surface reactivity, flexibility, wearability, and outstanding thermal attributes make them highly suitable for numerous applications. This comprehensive review based on MXenes delves into the potential uses of fewer assessed applications, such as materials, solar thermal desalination, energy harvesting, electrochemical sensing, environmental remediation, and removal of heavy metal ions. Several industries associated with the summarized applications include hybrid photovoltaic thermal systems, energy storage, energy conversion, soft electronics, and other industries. Further, the review underscores the importance and future guidance of continued research in the MXene field to harness the potential benefits of not only summarized applications but also diverse applications. MXenes ; Environmental science ; Nanotechnology ; Materials science MXene and MAX Phase Materials ; 2D Materials and Applications ; Graphene and Nanomaterials Applications
Authors: Jixiang Cai | Feixing Li | X.X. Zhang | Jianyu Wang | Zecong Yu | Bo Feng | Y.F. Li
Source: Materials (review, 2025-06-24)
Field: Materials Science — Materials Chemistry

Application of Pulsed Laser Deposition (PLD) Technology in the Preparation of Two-Dimensional (2D) Film Materials Two-dimensional film materials with unique atomic structures and electronic operation modes have demonstrated amazing application potential and value in the field of high technology. Among the various methods for preparing 2D film materials, PLD technology has become the preferred technology for rapid and green preparation of high-quality, complex structured 2D film materials due to its features such as maintaining the excellent stoichiometric ratio of the target, strong process flexibility, and non-polluting environment. Therefore, this paper discusses the exciting topic of PLD technology in the preparation and application of 2D film materials. Based on a systematic exposition of its basic principles and influencing factors, it provides a detailed overview of the current application status of PLD technology in the preparation of various 2D film materials such as carbides, sulfides, oxides, nitrides, and perovskites. Meanwhile, the advantages and disadvantages of PLD technology in the preparation of 2D film materials were also positively summarized, and the challenges and emerging strategies it faces in the future preparation of 2D film materials were cautiously discussed. This provides practical suggestions and reflections for the sustainable development of PLD technology in the fields of basic research, performance regulation, device development, and application of 2D film materials preparation. Materials science ; Nanotechnology ; Flexibility (engineering) ; Pulsed laser deposition ; Thin film ; Deposition (geology) ; Engineering physics ; Engineering 2D Materials and Applications ; MXene and MAX Phase Materials ; Advanced Photocatalysis Techniques
Authors: Stephanie C. Malek | Chloe F. Doiron | Igal Brener | Alexander Cerjan
Source: Nanophotonics (article, 2025-02-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Robust multiresonant nonlocal metasurfaces by rational design Dielectric metasurfaces supporting optical resonances have become a promising platform for quantum and nonlinear optics. However, resonant metasurfaces remain limited in their capacity to independently control the behavior of many distinct resonances despite efforts in computational optimization and inverse design. In this work, we overcome longstanding limitations by introducing a generalized rational design paradigm based on symmetry. Specifically, we use symmetry-broken metasurfaces with periodic "quadromer" lattices comprised of four nanostructures per unit cell to enable extensive control of multiple optical resonances. The rationally designed metasurfaces are readily fabricable, and we experimentally demonstrate metasurfaces that support up to four high Q-factor resonances with deliberately chosen free-space polarizations, spectral separations, and mode profiles. Our design paradigm may unlock new applications for multiresonant metasurfaces in quantum and nonlinear optics, optical sensing, and augmented reality displays. Rational design ; Quantum ; Physics ; Dielectric ; Symmetry (geometry) ; Nonlinear optics ; Nanophotonics ; Nonlinear system ; Inverse ; Computer science ; Optics ; Nanotechnology ; Optoelectronics ; Quantum mechanics ; Materials science ; Mathematics Metamaterials and Metasurfaces Applications ; Advanced Antenna and Metasurface Technologies ; Plasmonic and Surface Plasmon Research
Authors: Taotao Qiang | Tian Wang | Xiaonan Ruan | Xian‐Cheng Zhang | Ruilong Li | Longfang Ren
Source: Collagen and Leather (article, 2025-07-04)
Field: Chemistry — Inorganic Chemistry

Collagen-based porous aerogel with high adsorption, excellent antibacterial properties, and structural stability for specific uranium capture in seawater Aerogel ; Seawater ; Adsorption ; Porosity ; Uranium ; Materials science ; Structural stability ; Chemical engineering ; Chemistry ; Nanotechnology ; Composite material ; Metallurgy ; Geology ; Organic chemistry Radioactive element chemistry and processing ; Chemical Synthesis and Characterization ; Nuclear Materials and Properties
Authors: Mehmet Topuz | Fatma Coşkun Topuz
Source: Coatings (article, 2025-10-14)
Field: Materials Science — Materials Chemistry

Nb2CTx Mxene—Pistachio Shell-Filled Chitosan Coatings on Zn Biomaterial for In Vitro Corrosion and Bioactivity Improvement This study aims to enhance the corrosion resistance and bioactivity of zinc surfaces through the development of chitosan–pistachio shell (CPM) coatings reinforced with Nb2CTx MXene. The approach introduces a sustainable pathway by incorporating waste pistachio shells as a natural, eco-friendly additive within a biopolymer matrix. Comprehensive structural and surface characterizations confirmed the homogeneous dispersion of Nb2CTx and the successful fabrication of the hybrid coating. Electrochemical analyses in simulated body fluid demonstrated that the CPM coatings markedly improved the corrosion protection of zinc by shifting the corrosion potential to more noble values, reducing current density and increasing polarization resistance. Impedance results further indicated enhanced charge transfer resistance and stable diffusion-controlled behavior. The coatings also exhibited stronger adhesion, higher hydrophilicity, and improved surface compatibility. After immersion in simulated body fluid, the formation of a dense apatite layer on the CPM surface confirmed the coating’s excellent bioactivity. These findings demonstrate that Nb2CTx-reinforced CPM coatings significantly enhance the functional performance of zinc, combining corrosion resistance, biocompatibility, and mechanical stability. Moreover, the use of pistachio shell waste underscores the potential of sustainable biomaterials in developing environmentally friendly coatings for biomedical applications. Corrosion ; Biopolymer ; Simulated body fluid ; Zinc ; Dielectric spectroscopy ; Polarization (electrochemistry) ; Immersion (mathematics) ; Surface modification MXene and MAX Phase Materials ; Magnesium Alloys: Properties and Applications ; Metal and Thin Film Mechanics
Authors: Guangyu Sun | Xiong Yang | Wentong An | Kun Huang | Xiaogang Qin | Bai‐Peng Song | Guanjun Zhang
Source: High Voltage (article, 2025-04-01)
Field: Materials Science — Materials Chemistry

Investigation of the dynamic charge transport behaviours under electron beam irradiation of advanced insulation materials for aerospace applications Abstract Aerospace dielectric components on spacecrafts are frequently exposed to surface charging. Here the dynamic charging behaviours of advanced aerospace dielectrics under electron beam irradiation are investigated. Combined measurement of dielectric secondary emission yield (SEY) and trap distribution provides input parameters of a drift‐diffusion transport model reproducing the beam‐irradiated dielectric charging processes. The model reveals the spatial–temporal evolutions of the current, charge density, and electric field distribution. The model‐predicted sample current, SEY and surface potential, in a surface layer of 1 μm and with incident electron energy range of 10–30 keV, are compared with the experiments, showing qualitative agreement. The effects of beam energy and current, dielectric material, and sample thickness on the charging processes are explored. Relation between the beam energy and final surface potential is determined, and the beam current is found to only affect the charging speed. Dielectric parameters including the mass density, permittivity, surface resistivity, trap state distribution, electron affinity, together influence the charging speed and final charged state. Aerospace ; Irradiation ; Materials science ; Cathode ray ; Charge (physics) ; Electron beam processing ; Aerospace engineering ; Electron ; Nuclear engineering ; Engineering physics ; Beam (structure) ; Nanotechnology ; Engineering ; Physics ; Nuclear physics ; Structural engineering High voltage insulation and dielectric phenomena ; Semiconductor materials and devices ; Plasma Diagnostics and Applications
Authors: Mohamed Elkhodbia | Ibrahim M. Gadala | Imad Barsoum | Akram Alfantazi | Magd Abdel Wahab
Source: Engineering Failure Analysis (article, 2025-03-17)
Field: Materials Science — Materials Chemistry

Multi-physics microstructural modelling of a carbon steel pipe failure in sour gas service This study presents a comprehensive failure analysis of an ASTM A106B steel pipe exposed to sour natural gas, focusing on degradation and cracking mechanisms. A range of experimental methodologies, including visual inspection, chemical spot tests, XRD analysis, SEM-EDS examination, metallographic analysis, and hardness testing, were employed to identify critical material deficiencies. The findings indicate that environmentally assisted cracking (EAC) initiated at the pipe’s outer diameter (OD) and propagated inward. The experiments also revealed a hardness gradient across the pipe’s thickness and a non-uniform distribution of microstructural inclusions. Additionally, a coupled chemo-mechano-damage finite element analysis (FEA) was conducted to simulate crack propagation driven by hydrogen embrittlement. The FEA used a phase-field approach to model interactions between hydrogen diffusion, mechanical stresses, and microstructural features such as non-uniform inclusion distribution and varying hardness across the pipe wall. The simulations successfully mimicked the crack growth path under sulphide stress cracking (SSC) conditions, demonstrating the influence of material inhomogeneity. The results confirmed that failure initiated at the OD and propagated inward due to hydrogen accumulation at inclusions. These inclusions caused higher gradients of hydrostatic stress, accelerating hydrogen accumulation and crack initiation in regions with a higher inclusion density. Regions of higher hardness were particularly susceptible to failure, as they exhibit lower fracture toughness, which is further degraded by hydrogen diffusion, accelerating the failure process. This study highlights the critical role of microstructural heterogeneities and hydrogen embrittlement in pipeline failure and suggests that the methods presented can be applied to pipelines in hydrogen blending or pure hydrogen transmission, offering key insights for improving material selection and design for pipelines in sour gas and hydrogen environments. • Conducted experimental failure analysis of ASTM A106B steel pipe exposed to sour gas. • Identified EAC initiation at the outer diameter due to hardness gradients and inclusions. • Simulated failure by integrating phase-field modeling and hydrogen diffusion. • Provided insights for pipeline integrity in sour and hydrogen environments. Sour gas ; Carbon steel ; Materials science ; Engineering ; Metallurgy ; Forensic engineering ; Mechanical engineering ; Natural gas ; Waste management ; Corrosion Material Properties and Failure Mechanisms ; Fatigue and fracture mechanics ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Krishna Prasath Logakannan | Ibrahim Güven | Gregory M. Odegard | Kan Wang | Chuck Zhang | Zhiyong Liang | Ashley D. Spear
Source: Composites Part A Applied Science and Manufacturing (review, 2025-05-17)
Field: Materials Science — Materials Chemistry

A review of artificial intelligence (AI)-based applications to nanocomposites Materials science ; Nanocomposite ; Composite material ; Artificial intelligence ; Polymer science ; Computer science Machine Learning in Materials Science ; Nanotechnology research and applications ; Graphene and Nanomaterials Applications
Authors: Yiqun Liao | Xiaoling Wang | Puwen Chen | Qi Zhong | Junjie Gong
Source: International Journal of Nanomedicine (review, 2025-10-01)
Field: Materials Science — Materials Chemistry

Antimicrobial Mechanisms of Metal-Based Nanomaterials With the progress of nanotechnology and nano-medicine, a wide range of antimicrobial agents based on nanomaterials have been extensively developed and applied in anti-infection therapy. Metal-based nanomaterials, due to their unique physicochemical properties and outstanding biocompatibility, are extensively used in bioanalysis, drug delivery systems, disease diagnosis, and treatment. Compared with traditional antimicrobial agents, metal-based nanomaterials demonstrate advantages including superior stability, broad-spectrum antibacterial activity, potent antimicrobial effects, and lower risk of antibiotic resistance, making them a promising candidate for combating infections and drug-resistant bacteria. This article elucidates the antimicrobial mechanisms of metal-based nanomaterials, such as Au, Ag, Cu, ZnO, primarily focusing on physical damage, chemical activity, and biological function interference. Furthermore, it discusses synergistic antibacterial strategies to provide robust support for advancing research on the antimicrobial applications of metal-based nanomaterials. Antimicrobial ; Nanomaterials ; Drug delivery ; Anti-Infective Agents ; Antimicrobial drug ; Drug ; Antibacterial agent Nanoparticles: synthesis and applications ; Advanced Nanomaterials in Catalysis ; Medicinal Plants and Neuroprotection
Authors: Srinivas Nakka | Naresh Kumar Katari | Siva Krishna Muchakayala | Sreekantha B. Jonnalagadda | Surendra Babu Manabolu Surya
Source: RSC Advances (article, 2025-01-01)
Field: Chemistry — Analytical Chemistry

A novel LC-TQ-MS/MS method for quantifying mefenamic acid-NDSRI (N-nitroso drug substance-related impurity) in mefenamic acid tablet and pediatric suspension dosage forms: a comparative study with a cost-effective white, green, and blue UPLC method The current research presents novel LC-TQ-MS/MS and cost-effective UPLC methods intended for the accurate quantification of mefenamic acid-N-nitroso drug substance-related impurity-NDSRI (N-MFA) in mefenamic acid (MFA) tablet and pediatric suspension dosage forms. The acceptable intake of N-MFA is derived from the TD50 (Median Toxic Dose-50%) value of N-nitroso diphenylamine. The analytical separation was achieved for the UPLC method using an XBridge BEH Shield RP18 Column (150 × 3.0 mm, 3.5 μm), employing 0.1% formic acid and acetonitrile as mobile phases in a gradient mode. A flow rate of 0.7 mL min<sup>-1</sup> was set for the pump, and the detection wavelength was 230 nm. LC-TQ-MS-MS analysis was accomplished utilizing a Xevo TQ-XS mass spectrometer with electrospray ionization in the positive mode. N-MFA quantification was carried out using multiple reaction monitoring (MRM) as the mass transition: <i>m</i>/<i>z</i> 271.13 → 241.14. The proposed methods were successfully validated following ICH guidelines and are capable of quantifying at 0.01 ng mL<sup>-1</sup> at an MFA concentration of 1 mg mL<sup>-1</sup> for the LC-MS/MS method and at 0.036 μg mL<sup>-1</sup> at an MFA concentration of 10 mg mL<sup>-1</sup> for UPLC. The validated methods exhibited excellent linearity over the concentration ranges of 0.01 to 125 ppm for LC-MS/MS and 0.036 μg mL<sup>-1</sup> to 1.250 μg mL<sup>-1</sup> (3.6 to 125 ppm) for UPLC, with a Pearson correlation coefficient of 0.999. The method's trueness, in terms of accuracy recoveries, ranged from 90.43% to 101.34% for LC-MS/MS and 92.12% to 101.21% for UPLC. The applicability of these methods was successfully verified through the analysis of commercial samples of MFA formulations. Additionally, the sustainability and eco-friendliness of the method were assessed using whiteness and greenness metrics, including RGB12 (Red-Gree-Blue) tools, GAPI (Green Analytical Procedure Index), analytical eco-scale, AGREE (Analytical GREEnness), AGREEprep (Analytical GREEnnesspreparation), and BAGI (Blue Applicability Grade Index). Both methods can be used to determine N-MFA content in mefenamic acid formulation dosage based on the availability of instruments LC-TQ-MS/MS and UPLC in R&D (Research and Development) and quality control laboratories. Mefenamic acid ; Chromatography ; Chemistry ; Suspension (topology) ; Impurity ; Pharmacology ; Organic chemistry ; Medicine ; Mathematics Analytical Methods in Pharmaceuticals ; Antibiotics Pharmacokinetics and Efficacy ; Analytical Chemistry and Sensors
Authors: Kamal Choudhary
Source: The Journal of Physical Chemistry Letters (article, 2025-02-20)
Field: Materials Science — Materials Chemistry

DiffractGPT: Atomic Structure Determination from X-ray Diffraction Patterns Using a Generative Pretrained Transformer Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pretrained transformer model designed to predict atomic structures directly from X-ray diffraction (XRD) patterns. By capturing the intricate relationships between diffraction patterns and crystal structures, DiffractGPT enables fast and accurate inverse design. Trained on thousands of atomic structures and their simulated XRD patterns from the JARVIS-DFT data set, we evaluate the model across three scenarios: (1) without chemical information, (2) with a list of elements, and (3) with an explicit chemical formula. The results demonstrate that incorporating chemical information significantly enhances prediction accuracy. Additionally, the training process is straightforward and fast, bridging gaps between computational, data science, and experimental communities. This work represents a significant advancement in automating crystal structure determination, offering a robust tool for data-driven materials discovery and design. Transformer ; Generative grammar ; Diffraction ; Materials science ; Computer science ; Artificial intelligence ; Physics ; Optics ; Engineering ; Electrical engineering ; Voltage Machine Learning in Materials Science ; Nuclear Physics and Applications ; Advanced X-ray and CT Imaging