jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yakubu Adekunle Alli | Abayomi Bamisaye | Akinsanmi S. Ige | R. Elabor | Oluwatobi O. Ife-Adediran | Abby Samson | Simeon Olaosebikan Oni | Alfred Yeboah | Owolabi M. Bankole | Dele Peter Fapojuwo | Adeniyi S. Ogunlaja
Source: Discover Applied Sciences (article, 2025-12-08)
Field: Materials Science — Biomaterials

Coaxial electrospinning as a promising technique for fabricating advanced materials for energy storage applications As the demand for efficient, high-performance energy storage systems intensifies, the need for innovative materials that can enhance energy density, power output, and cycle stability has become paramount. Coaxial electrospinning, a versatile nanofabrication technique, has emerged as a powerful method for producing advanced core-shell nanofibers with tailored properties specifically designed for energy storage applications. This review delves into the principles of coaxial electrospinning, highlighting its advantages over conventional fabrication techniques in creating multifunctional materials for batteries and supercapacitors. By manipulating the core and shell compositions, coaxial nanofibers offer superior ion/electron transport, mechanical stability, and electrochemical performance. The review discusses the latest breakthroughs in the field, including material selection, fiber design strategies, and the resulting improvements in energy storage capacity and durability. Challenges and future opportunities for scaling coaxial electrospinning to meet commercial demands are also explored, positioning this technique as a promising frontier for next-generation energy storage solutions. Energy storage ; Coaxial ; Nanofiber ; Electrochemical energy storage ; Fabrication Electrospun Nanofibers in Biomedical Applications ; Supercapacitor Materials and Fabrication ; Advanced battery technologies research
Authors: Abdelrahman A. Elbadawi | Elsammani Ali Shokralla | Mohamed A. Siddig | Obaidallah A. Algethami | Adel Alghamdi | H. Idris
Source: Ceramics (article, 2025-07-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Structural and Dielectric Impedance Studies of Mixed Ionic–Electronic Conduction in SrLaFe1−xMnxTiO6 (x = 0, 0.33, 0.67, and 1.0) Double Perovskites The structural and electrical properties of double perovskite compounds SrLaFe1−xMnxTiO6−δ (x = 0, 0.33, 0.67, and 1.0) were studied using X-ray diffraction (XRD) and dielectric impedance measurements. The reparation of perovskite compounds was successfully achieved through the precursor solid-state reaction in air at 1250 °C. The purity phase and crystal structures of perovskite compounds were determined by means of the standard Rietveld refinement method using the FullProf suite. The best fitting results showed that SrLaFeTiO6−δ was orthorhombic with space group Pnma, and both SrLaFe0.67Mn0.33TiO6−δ and SrLaFe0.33Mn0.67TiO6−δ were cubic structures with space group Fm3m, while SrLaMnTiO6−δ was tetragonal with a I/4m space group. The charge density maps obtained for these structures indicated that the compounds show an ionic and mixed ionic–electronic conduction. The dielectric impedance measurements were carried out in the range of 20 Hz to 1 MHz, and the analysis showed that there is more than one relaxation mechanism of Debye type. Doping with Mn was found to reduce the dielectric impedance of the samples, and the major contribution to the dielectric impedance was established to change from a capacitive for SrLaFeTiO6−δ to a resistive for SrLaMnTiO6−δ. The fall in values of electrical resistance may be related to the possible occurrence of the double exchange (DEX) mechanism among the Mn ions, provided there is oxygen deficiency in the samples. DC-resistivity measurements revealed that SrLaFeTiO6−δ was an insulator while SrLaMnTiO6−δ was showing a semiconductor–metallic transition at ~250 K, which is in support of the DEX interaction. The dielectric impedance of SrLaFe0.67Mn0.33TiO6−δ was found to be similar to that of (La,Sr)(Co,Fe)O3-δ, the mixed ionic–electronic conductor (MIEC) model. The occurrence of a mixed ionic–electronic state in these compounds may qualify them to be used in free lead solar cells and energy storage technology. Dielectric ; Ionic bonding ; Materials science ; Electrical impedance ; Ionic conductivity ; Thermal conduction ; Condensed matter physics ; Chemistry ; Physics ; Optoelectronics ; Ion ; Electrical engineering ; Physical chemistry ; Composite material ; Engineering ; Electrode Magnetic and transport properties of perovskites and related materials ; Ferroelectric and Piezoelectric Materials ; Electronic and Structural Properties of Oxides
Authors: Aman Sharma | Vandana Molahalli | Gurumurthy Hegde
Source: Environmental chemistry and safety (article, 2025-09-01)
Field: Materials Science — Materials Chemistry

Harnessing Biomass into Advanced Carbon Materials for Dye Degradation The release of dye-contaminated wastewater from industries such as textiles, cosmetics, and paper poses significant environmental and health hazards. This review highlights the potential of biomass-derived carbonaceous materials (BCMs) as sustainable adsorbents and photocatalysts for dye remediation. Synthesized through pyrolysis, hydrothermal carbonization, or chemical activation, BCMs exhibit high surface area, tunable porosity, and diverse surface functionalities, enabling effective dye adsorption and catalytic degradation. The influence of physicochemical factors such as pH, temperature, and dye concentration on removal efficiency is discussed in this review. We further explore the synergy between BCMs and nanostructures in enhancing photocatalytic performance. Integrating advanced synthesis techniques and functionalization strategies further improves the performance of BCMs in wastewater treatment. While recent advancements underscore their potential, challenges related to regeneration, scalability, and economic feasibility remain. This work provides an integrated perspective on the development and application of BCMs, emphasizing their role in advancing eco-friendly and cost-effective water treatment solutions. Degradation (telecommunications) ; Biomass (ecology) ; Carbon fibers ; Environmental science ; Nanotechnology ; Materials science ; Computer science ; Telecommunications ; Geology ; Composite material ; Oceanography Carbon and Quantum Dots Applications ; Nanomaterials for catalytic reactions ; Catalytic Processes in Materials Science
Authors: Meng Pan | Min Sha | Zhengyong Zhang
Source: Foods (review, 2025-10-18)
Field: Chemistry — Analytical Chemistry

Advances in the Application of Surface-Enhanced Raman Spectroscopy for Quality Control of Cereal Foods Cereal foods occupy a central position in the global food consumption structure. Staple foods such as wheat, rice, and corn provide essential nutrients like carbohydrates and proteins for billions of people. Long-term intake of these foods can reduce the risk of cardiovascular and cerebrovascular diseases. However, the development of modern agriculture has caused some quality and safety issues such as pesticide residues, mycotoxin contamination, heavy metal residues, and illegal additives in the production, processing, and storage of cereal foods. Traditional detection techniques such as chromatography and mass spectroscopy have limitations including time-consuming procedures and high costs. Surface-enhanced Raman spectroscopy (SERS), with advantages of non-complex pretreatment, rapid detection, and high sensitivity, can accurately detect factors affecting cereal quality. This paper reviews the principles and substrate types of SERS first. Secondly, it systematically summarizes the research progress in the applications of SERS technology in cereal quality control from multiple aspects, including the detection of microbial contamination, pesticide residues, and heavy metal residues. Finally, it provides an outlook on SERS technology. SERS is expected to further improve the accuracy and efficiency of quality control for cereal foods through the development of new substrates, combination with other detection technologies, and intelligent data analysis methods. Pesticide residue ; Food quality ; Quality (philosophy) ; Agriculture ; Mycotoxin ; Pesticide ; Food safety Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Identification and Quantification in Food
Authors: Tong Huo | Lihao Sun | Miao Du | Xucai Kan | Shihui Qiu | Shaohua Zhang
Source: Zeitschrift für anorganische und allgemeine Chemie (article, 2025-01-25)
Field: Materials Science — Materials Chemistry

Preparation, Properties, and Application of Ionic Liquid Gels Ionic liquid (IL) gels have garnered significant attention in recent years on account of their distinctive amalgamation of properties, encompassing ionic conductivity, environmental stability, and flexibility. Herein, the function of ILs in regulating gel structure is reviewed with an emphasis placed on the preparation and properties of IL gels. Additionally, the superiority of IL gels over conventional hydrogels is probed, such as enhanced mechanical strength, thermal stability, and a broader range of stable operating temperatures. The potential applications of IL gels in the domains of energy storage, separation and catalysis, environmental protection, and biomedicine are deliberated. Finally, a series of summaries and prospects for IL gels with the aim of opening up novel perspectives and attracting more attention for the practical application of IL gels is undertaken. Ionic liquid ; Chemical engineering ; Polymer science ; Ionic bonding ; Chemistry ; Materials science ; Chromatography ; Organic chemistry ; Engineering ; Ion Pickering emulsions and particle stabilization
Authors: Satayu Borsap | M. Charernsuk | Kitti Tangjituabun | Jonggol Tantirungrotechai
Source: ChemCatChem (article, 2025-04-09)
Field: Chemistry — Organic Chemistry

Influence of Silane‐Type Electron Donors on Ziegler–Natta Catalysts in Ethylene Polymerization and Ethylene/α‐Olefin Copolymerization Abstract This study examines the influence of silane‐type electron donors on the performance of Ziegler–Natta (ZN) catalysts in ethylene polymerization and ethylene/α‐olefin copolymerization. Three electron donors, dicyclopentyl dimethoxysilane (D donor), dipiperidyl dimethoxysilane (DPPDMS), and dipyrrolidinyl dimethoxysilane (DPRDMS), were investigated. The presence of electron donors generally reduces catalytic activity in both homo‐ and copolymerization, with aminosilanes (DPPDMS and DPRDMS) causing a more pronounced decrease than D donor due to their stronger coordination with Ti active sites. The addition of electron donors also increases polymer molecular weight while narrowing molecular weight distribution, particularly in ethylene/1‐butene copolymerization. Although comonomer incorporation remains low regardless of donor type, the resulting copolymers exhibit a more uniform chemical composition distribution compared to those synthesized without electron donors. Notably, polymers produced with D donor display a narrower molecular weight distribution than those obtained with aminosilane donors. These findings should provide valuable insights into the role of silane‐type electron donors in tuning copolymer properties and contribute to the advancement of ZN catalysis in copolymerization. Silane ; Ethylene ; Natta ; Copolymer ; Polymerization ; Olefin fiber ; Catalysis ; Polymer chemistry ; Chemistry ; Olefin polymerization ; Materials science ; Organic chemistry ; Photochemistry ; Polymer Organometallic Complex Synthesis and Catalysis ; Synthesis and characterization of novel inorganic/organometallic compounds ; Carbon dioxide utilization in catalysis
Authors: Federico Grasselli | Sanggyu Chong | Venkat Kapil | Silvia Bonfanti | Kevin Rossi
Source: Digital Discovery (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Uncertainty in the era of machine learning for atomistic modeling The widespread adoption of machine learning surrogate models has significantly improved the scale and complexity of systems and processes that can be explored accurately and efficiently using atomistic modeling. However, the inherently data-driven nature of machine learning models introduces uncertainties that must be quantified, understood, and effectively managed to ensure reliable predictions and conclusions. Building upon these premises, in this perspective, we first overview state-of-the-art uncertainty estimation methods, from Bayesian frameworks to ensembling techniques, and discuss their application in atomistic modeling. We then examine the interplay between model accuracy, uncertainty, training dataset composition, data acquisition strategies, model transferability, and robustness. In doing so, we synthesize insights from the existing literature and highlight areas of ongoing debate. Computer science ; Artificial intelligence ; Machine learning ; Data science Machine Learning in Materials Science ; Advanced Materials Characterization Techniques ; Advanced Electron Microscopy Techniques and Applications
Authors: Hassan Harb | Rajeev S. Assary
Source: Physical Chemistry Chemical Physics (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Systematic improvement of redox potential calculation of Fe(<scp>iii</scp>)/Fe(<scp>ii</scp>) complexes using a three-layer micro-solvation model Electrochemical transformations of metal ions in aqueous media are challenging to model accurately due to the dynamic solvation structure surrounding ions at different charge states. Predictive modeling at the atomistic scale is essential for understanding these solvation architectures but is often computationally prohibitive. In this contribution, we present a simple, fast, and accurate three-layer micro-solvation model to evaluate the redox potential of metal ions in aqueous solutions. Our model, developed and validated for Fe<sup>3+</sup>/Fe<sup>2+</sup> redox potentials, combines the DFT-based geometry optimizations of the octahedral Fe complex with two layers of explicit water molecules to capture solute-solvent interactions and an implicit solvation model to account for bulk solvent effects. This approach yields accurate predictions for Fe<sup>3+</sup>/Fe<sup>2+</sup> redox potentials in water, achieving errors of 0.02 V with ωB97X-V, 0.01 V with ωB97X-D3, 0.04 V with ωB97M-V, and 0.02 V with B3LYP-D3 functionals. We further demonstrate the generality of our model by applying it to additional metal complexes, including the challenging Fe(CN)<sub>6</sub><sup>3-/4-</sup> system, where our model successfully achieves close agreement with experimental values, with an error of 0.07 V and an average error of 0.21 V for all five systems. In summary, the presented simple solvation model has broad applicability and potential for enhancing computational efficiency in redox potential predictions across various chemical and industrial processes of metal ions. Solvation ; Redox ; Layer (electronics) ; Chemistry ; Computational chemistry ; Materials science ; Nanotechnology ; Inorganic chemistry ; Organic chemistry ; Molecule Free Radicals and Antioxidants ; Electrochemical Analysis and Applications ; Spectroscopy and Quantum Chemical Studies
Authors: Salma Abubakar | Asmaa Jrad | Gobinda Das | Thirumurugan Prakasam | Samer Aouad | Mark A. Olson | Ali Trabolsi
Source: ACS Applied Materials & Interfaces (review, 2025-08-28)
Field: Materials Science — Materials Chemistry

From Waste to Wealth: Covalent Organic Frameworks for Gold Detection and Recovery from Secondary Sources Gold is a precious element, renowned for its diverse applications in catalysis, biomedicine, and electronics, largely due to its remarkable stability and superior conductivity. However, the escalating global demand and intensive mining activities have prompted a shift toward exploring gold recovery from alternative and secondary sources. Traditional gold recovery techniques, such as hydrometallurgy and cyanidation, are efficient yet notorious for their toxic byproducts, necessitating the pursuit of more sustainable methods. This review explores the potential of covalent organic frameworks (COFs) as cutting-edge materials for gold detection and adsorption. COFs are distinguished by their precise architecture, inherent porosity, and customizable functionalities, rendering them exceptionally suited for the selective capture of gold. First, we present an overview of the fundamental COF gold adsorption mechanisms, including coordination chemistry, hydrogen bonding, electrostatic interactions, and reduction processes. This is followed by examining COF synthesis methods, functionalization techniques, and composite engineering strategies that optimize their stability and adsorption efficiency. The review further highlights recent advancements in the utilization of COFs for gold sensing, recovery from electronic waste, and adsorption at trace concentrations. Finally, we address the current challenges in the application of COFs in this domain and propose future research directions. This comprehensive review serves as an invaluable resource for advancing gold extraction through COF-based materials, ultimately contributing to innovative and sustainable gold recovery practices. Materials science ; Covalent bond ; Metal-organic framework ; Nanotechnology ; Waste management ; Organic chemistry ; Engineering ; Adsorption Covalent Organic Framework Applications ; Recycling and Waste Management Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Elmira Kohan | Roushan Khoshnavazi | Mir Ghasem Hosseini | Abdollah Salimi | Mehdi Salami‐Kalajahi
Source: Scientific Reports (article, 2025-05-22)
Field: Materials Science — Materials Chemistry

Lithium-salt-free polyoxovanadates/cellulose acetate-poly(ethylene glycol) nanocomposite solid electrolytes with enhanced electrochemical properties Solid polymer electrolytes (SPEs) have been regarded as one of the most encouraging choices for lithium-based cells of the future generation as they further boost battery energy density and do away with any potential safety risks associated with liquid organic electrolytes. Nevertheless, solid electrolytes' restricted ion conductivity hinders their hands-on applications. In this work, lithium-ion conductor SPEs based on polymer/polyoxovanadates nanocomposites are fabricated by a facile cast solution method. Polyoxovanadate Li<sub>7</sub>[V<sub>15</sub>O<sub>36</sub>(CO<sub>3</sub>)] (LVC) possesses a high diffusion coefficient which acts as lithium salt. The dual function role of polyoxovanadates in the diffusion of Li<sup>+</sup> cations and reducing the crystallinity of polymer leads to high ion conductivity of 4.1 × 10<sup>-4</sup> S cm<sup>-1</sup> at room temperature. Moreover, compared to the routine CA-PEG1000-LiPF<sub>6</sub> electrolyte, the SPE with LVC had a broader electrochemical voltage window of more than 5 V. The excellent performance as lithium salt and inorganic filler and its role in reducing the crystallinity of polymers and providing mobile cations in polymer matrix, and acceptable electrochemical properties, including considerable transference number (t<sup>+</sup>) 0.59, good stability of electrode/electrolye interface after 100 h Li plating/stripping without short-circuiting, and good specific capacity (226 mAh g<sup>-1</sup> of LiCoO<sub>2</sub>/CA-PEG1000-LVC/Gr at 0.1 C) suggest LVC as lithium salt and also as inorganic fillers for designing new SPEs with high performance for next-generation lithium-based batteries. Ethylene glycol ; Nanocomposite ; Electrolyte ; Salt (chemistry) ; Lithium (medication) ; Electrochemistry ; Cellulose ; Materials science ; Glycerol ; Chemistry ; Cellulose acetate ; Inorganic chemistry ; Nuclear chemistry ; Chemical engineering ; Electrode ; Organic chemistry ; Nanotechnology ; Medicine Polyoxometalates: Synthesis and Applications ; Advanced Battery Materials and Technologies ; Advanced battery technologies research
Authors: Md. Mahamudul Hasan Rumon | Mohammad Mizanur Rahman Khan | Md. Khairul Amin
Source: Gels (review, 2025-07-01)
Field: Materials Science — Materials Chemistry

Design, Synthesis, and Morphological Behavior of Polymer Gel-Based Materials for Thermoelectric Devices: Recent Progress and Perspectives The current level of achievement in obtaining suitable polymer gel-based materials for efficient applications in thermoelectric devices is insufficient, although a substantial amount of research has already been performed. In this context, further investigations are necessary to design and synthesize polymer gel-based materials for ionic thermoelectric device applications. Polymer gel-based materials have attracted extensive consideration because of their multiple benefits, including easy processing, eco-friendly waste, and versatility, making them excellent materials for ionic thermoelectric devices. However, the design and synthesis of suitable polymer gel-based materials for ionic thermoelectric devices are still challenging areas of research. The surface morphological topography of prepared polymer gels is an important issue in thermoelectric device applications. In this review, significant approaches for the design and synthesis of polymer gel-based materials are discussed. This review may provide an important reference for upcoming perceptions on the design and synthesis of polymer gel materials for thermoelectric devices. Thermoelectric effect ; Materials science ; Polymer ; Nanotechnology ; Context (archaeology) ; Thermoelectric materials ; Thermoelectric generator ; Ionic bonding ; Process engineering ; Composite material ; Chemistry ; Engineering ; Organic chemistry Advanced Thermoelectric Materials and Devices ; Advanced Sensor and Energy Harvesting Materials ; Gas Sensing Nanomaterials and Sensors
Authors: Sonam Baghel | Monika Khurana | Prachi Gupta
Source: BULLETIN OF CHEMICAL REACTION ENGINEERING AND CATALYSIS (article, 2025-05-24)
Field: Materials Science — Materials Chemistry

Characterization of Silver Nanoparticles Prepared via Green Synthesis from Amomum Subulatum: Investigation of its Antioxidant, Antimicrobial and Catalytic Properties in Dye Degradation The seeds extract of Amomum Subulatum commonly known as black cardamom is used for preparing Silver Nanoparticles (AgNps) via green route. The characterization of these nanoparticles was done by UV-visible, Fourier transform Infrared (FTIR) spectroscopy, X-ray diffraction (XRD) and Transmission Electron Microscopy (TEM) techniques. The UV-vis spectra showed sharp absorption maximum at 432 nm that confirmed that AgNPs were synthesized successfully. The TEM measurements indicated that AgNps are mostly spherical with a few having hexagonal and trigonal shapes with size range of 13-21 nm. Dynamic Light Scattering (DLS) confirmed the stability of AgNps having negative zeta potential. XRD confirmed the mono-crystallinity of the prepared AgNps. A significant zone of inhibition is observed by these nanoparticles against gram positive and gram-negative bacteria. These nanoparticles exhibit a significant catalytic activity with respect of 4-nitrophenol (4-NP). The synthesized AgNps act as a catalyst and degraded the organic dyes, Methylene Blue (MB) and Methylene Orange (MO) by Sodium borohydride (NaBH4) as confirmed by UV-vis spectroscopy. Copyright © 2025 by Authors, Published by BCREC Publishing Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0). Antimicrobial ; Degradation (telecommunications) ; Silver nanoparticle ; Catalysis ; Antioxidant ; Characterization (materials science) ; Nanoparticle ; Chemistry ; Nuclear chemistry ; Materials science ; Nanotechnology ; Combinatorial chemistry ; Organic chemistry ; Computer science Nanoparticles: synthesis and applications ; Medicinal Plants and Neuroprotection