jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Stanley Irobekhian Reuben Okoduwa | Bernard E. Igiri | Ugochi J. Okoduwa | A. T. IMAM
Source: Environmental Science and Pollution Research (article, 2026-01-31)
Field: Materials Science — Biomaterials

Biophysical and biochemical innovations for Nigeria’s leather sector: a sustainable roadmap for industrial practices and policy perspectives Government (linguistics) ; Transformative learning ; Sustainability ; Resource (disambiguation) ; Sustainable development ; Natural resource ; Stewardship (theology) ; Environmental quality Collagen: Extraction and Characterization ; Chemistry and Chemical Engineering ; Oil, Gas, and Environmental Issues
Authors: Nagham Majid Abdulhassan | Abdull Jabar Attia | Falah Sumoon Daghal Al-Fartusie
Source: Applied Chemical Engineering (article, 2026-01-05)
Field: Chemistry — Organic Chemistry

One-pot synthesis of triazole and oxadiazoline derivatives from naproxen: A sustainable approach in green chemistry This study presents a novel, one-pot synthetic strategy for preparing triazole and oxadiazoline derivatives directly from naproxen. This approach aligns with the principles of green chemistry, aiming to enhance synthetic efficiency by minimizing reaction steps and reducing waste. By eliminating the need for multiple isolation and purification stages, this method offers a sustainable alternative to conventional multi-step procedures. The synthesized compounds underwent structural confirmation using a suite of spectroscopic techniques, specifically Fourier-Transform Infrared spectroscopy, Proton Nuclear Magnetic Resonance spectroscopy, and Carbon-13 Nuclear Magnetic Resonance spectroscopy and CNMR dept 135 and CNMR dept 90. Further analysis supported their potential as anti-inflammatory agents through molecular docking studies. These studies demonstrated strong binding affinities of the compounds to the cyclooxygenase-2 (COX-2) enzyme, suggesting a favorable mechanism of action for anti-inflammatory activity. Additionally, their acute toxicity was assessed by determining the LD50 values, providing preliminary data on their safety profile. Collectively, the new derivatives exhibited promising multi-target activity. The synthesized compounds exhibit potent broad-spectrum antimicrobial effects, demonstrating significant efficacy against both “Gram-positive bacteria, Staphylococcus aureus and Staphylococcus epidermidis”, and “Gram-negative bacteria, including Klebsiella species and Escherichia coli. Furthermore, they show promising antifungal activity against the pathogenic yeast Candida albicans”. This research demonstrates that a sustainable, one-pot synthesis can efficiently generate new compounds with valuable biological properties. Sustained-release naproxen derivatives show significant potential for future development in medicinal chemistry. This work highlights the constructive collaboration between green chemistry principles and the discovery of novel therapeutic agents. Carbon-13 NMR ; Antimicrobial ; Antifungal ; Pharmacophore ; Nuclear magnetic resonance spectroscopy ; Staphylococcus aureus ; Docking (animal) Synthesis and biological activity ; Click Chemistry and Applications ; Multicomponent Synthesis of Heterocycles
Authors: B. Srinivasa Goud | Y. Suresh | Gudikandula Odelu | S. Annapurna | G. Bhikshamaiah | AK Singh
Source: Asian Journal of Chemistry (article, 2026-03-06)
Field: Materials Science — Materials Chemistry

Studies on the Structural, Optical, Photocatalytic and Luminescence Properties of Monodispersed CdS Nanoparticles Capped with Moringa oleifera L. Leaf Extract This study reports the structural, optical, photocatalytic and luminescence properties of monodispersed cadmium sulphide nanoparticles (CdS NPs) synthesised via an eco-friendly green synthesis approach using Moringa oleifera leaf extract as a natural stabilizing and capping agent. Cadmium nitrate, cadmium sulphate and cadmium chloride are used as cadmium precursors, while sodium sulphide served as the sulphur source. X-ray diffraction (XRD) analysis confirmed the formation of cubic-phase CdS NPs with high crystalline nature. The optical properties are evaluated through UV-Vis absorption spectroscopy, revealing a band gap energy range of 3.08 to 4.92 eV. FTIR confirmed the presence of functional groups responsible for stabilisation of CdS NPs. The morphological characteristics, elemental composition and purity are assessed using FESEM and EDS. Small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM) determined the nanoparticle size to be below 5 nm, confirming their nanoscale dimensions. Photoluminescence (PL) spectra indicate strong emission properties, enhancing their potential use in optoelectronic applications. The photocatalytic activity of CdS NPs is evaluated by degrading methylene blue (MB) and rhodamine B (RhB) dyes under visible light irradiation, demonstrating their efficiency in environmental remediation and wastewater treatment. The results highlight the superior optical, structural and catalytic performance of M. oleifera-capped CdS NPs, making them promising candidates for advanced nanomaterial applications in solar cells, photocatalysis and biomedical fields. Photocatalysis ; Nanomaterials ; Rhodamine B ; Luminescence ; Nanoparticle ; Photoluminescence ; Cadmium ; Cadmium sulfide ; Transmission electron microscopy Quantum Dots Synthesis And Properties ; Nanoparticles: synthesis and applications ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Ahmed Salih Abid | Zahraa S. Al-Garawi | Füreya Elif Öztürkkan
Source: Scientific Reports (article, 2026-03-24)
Field: Materials Science — Materials Chemistry

Green-synthesized N-acetylcarnosine–loaded gold nanoparticles as a novel ocular nanocarrier for antioxidant therapy and cataract prevention Cataract represents one of the leading causes of blindness worldwide and is primarily attributed to protein glycation, oxidative stress, and aggregation of lens crystallins. Surgical lens extraction remains the standard treatment, which, despite its effectiveness, carries potential postoperative risks and economic burdens, thereby underscoring the need for alternative, non-surgical therapeutic approaches. This study aimed to develop a green-synthesized nanosystem based on gold nanoparticles (AuNPs) using Alchemilla vulgaris L. (Lady's mantle) extract, aiming to achieve efficient antioxidant delivery and sustained therapeutic retention within ocular tissues. Gold nanoparticles were synthesized via the reduction of chloroauric acid (HAuCl·3H<sub>2</sub>O) using the plant extract under ultrasonic agitation and dispersion, yielding AuNPs formulations 1%, 4%, and 7% (w/v). The synthesized nanocomposites were characterized using a UV-Vis spectroscopy, FTIR, XRD, FE-SEM, AFM, and zeta potential analysis. Bio activity was performed using DPPH radical scavenging, MTT assays for cytotoxicity testing, in vitro drug-release studies, and ex-vivo lens transparency assessments, all supported by computational molecular docking and ADMET (absorption, distribution, metabolism, and excretion) analyses. The results demonstrated that NAC-loaded gold nanoparticles (NAC-AuNPs) exhibited enhanced antioxidant activity, achieving 72-89% DPPH inhibition, and a high encapsulation efficiency of 86.1%. The drug-release profile exhibited a higher release rate observed under mildly acidic conditions (pH 6). Ex-vivo experiments using human cataractous lenses revealed a dose-dependent improvement in lens optical clarity at NAC concentrations of 0.05, 0.1, and 0.3 mM, loaded onto 7% (w/v) AuNPs formulations. Molecular docking studies suggested potential hydrogen-bond interactions between NAC and key lens crystallin proteins, providing mechanistic insight into possible structural stabilization of lens crystallin proteins. The green-synthesized AuNP-NAC nanosystem may represents a promising and biocompatible nanocarrier strategy that warrants further in vivo validation. Nanocarriers ; Colloidal gold ; Chloroauric acid ; Zeta potential ; DPPH ; Antioxidant ; MTT assay ; Cytotoxicity Nanoparticles: synthesis and applications ; Advanced Drug Delivery Systems ; Advanced Nanomaterials in Catalysis
Authors: Leda G. Bousiakou
Source: Journal of King Saud University - Science (article, 2026-02-19)
Field: Materials Science — Materials Chemistry

Plant synthesis of silver nanoparticles for the pathogen inhibition of Gram-positive and Gram-negative bacteria It is well known that both silver nanoparticles (AgNPs) possess broad spectrum antibacterial properties, having a multimodal action that leads to cell death. This work focuses on the preparation and characterization of AgNPs via the green synthesis route, assessing their effectiveness towards the inhibition of Gram-positive and Gram-negative bacteria, namely Escherichia Coli, Staphylococcus Aureus , and Pseudomonas Aeruginosa . In particular, after preparation, the AgNPs are characterized using scanning electron microscopy (SEM-EDS), X-ray diffraction (XRD) as well as dynamic light scattering (DLS), showing that the majority of nanoparticles are in the 20nm range with spherical or pseudo-spherical shapes. Clinical isolates of Escherichia coli , Staphylococcus aureus , and Pseudomonas aeruginosa were subsequently exposed to varying concentrations of AgNPs (0.25–1.5 mg/ml) and incubated at 37 °C for 24 h to assess their antimicrobial activity. The results showed that the highest antibacterial activity was against the bacterium Staphylococcus aureus , while Pseudomonas aeruginosa was the least affected. AgNPs with an average diameter of approximately 20 nm are regarded as optimal for antibacterial applications, being overall less toxic to mammalian cells and the environment compared to AgNP sizes of &lt;10 nm. Furthermore, a comparison of zones of inhibition (ZOI) resulting from the use of AgNPs is compared to those of graphene oxide (GO) nanosheets with varying oxygen content from literature, showing that while using the same protocols, AgNPs outperform GO across all tested strains and concentrations. Silver nanoparticle ; Antimicrobial ; Antibacterial activity ; Bacteria ; Dynamic light scattering ; Pathogen ; Nanoparticle ; Transmission electron microscopy ; Graphene Nanoparticles: synthesis and applications ; Antimicrobial agents and applications ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: J. Seeyangnok | U. Pinsook | Graeme John Ackland
Source: ArXiv.org (article, 2026-01-06)
Field: Materials Science — Materials Chemistry

Enhanced Electron-Phonon Coupling and Superconductivity in Ba-Alloyed A15 LaH5.75 Recent experiments have established rare earth A15 type hydrides as a distinct family of high temperature superconductors that can be stabilized at significantly lower pressures compared to other superconducting hydrides. In particular, A15 type LaH5.75 was recently shown to be a high Tc superconductor. We have investigated a range of ternary substitutions and demonstrate that partial substitution of La by Ba stabilizes the A15 hydride lattice, with La0.75Ba0.25H5.75 identified as a stable compound. We calculate a superconducting transition temperature of approximately 183 K, almost double that of LaH5.75 at similar pressures. Ba typically acts as a 2 plus ion, while La is 3 plus. The reduced electron count disrupts the formation of H2 units and shifts the Fermi surface, leading to strongly enhanced electron phonon coupling. By contrast, substitution with Hf fails to produce any stable compounds. This work extends emerging alloy design principles in A15 hydride superconductors, demonstrating that doping can shift the Fermi level and tune the strength of the electron phonon coupling. These results provide concrete guidance for the experimental realization of new high Tc phases. Superconductivity ; Ternary operation ; Fermi level ; Coupling (piping) ; Hydride ; Doping ; Transition temperature ; Superconducting transition temperature ; Atmospheric temperature range Hydrogen Storage and Materials ; High-pressure geophysics and materials ; Rare-earth and actinide compounds
Authors: Barış Kartal | Mehmet Bağlan | Kenan Gören
Source: Erciyes Üniversitesi Fen Bilimleri Enstitüsü Fen Bilimleri Dergisi (article, 2026-03-12)
Field: Materials Science — Electronic, Optical and Magnetic Materials

DFT, Molecular Docking and In-Silico ADME Studies of 2-(2-(4-Chlorophenyl)Benzo[D]-Oxazol-5-Yl)Propanoic Acid Compound As crucial building blocks of several chemical compounds, benzoxazole derivatives are currently garnering increased interest from chemists and biochemists for the creation of novel medications and pharmaceutical research. In this research, density functional theory (DFT) and B3PW91/B3LYP methods with 6-31G(d,p) basis set were used to optimize the molecular electrostatic potential (MEP), molecular orbital (HOMO-LUMO gap, hardness and softness), Nonlinear optical (NLO) and Mulliken charges properties of 2-(2-(4-chlorophenyl)benzo[d]oxazol-5-yl)propanoic acid (BOXP), a benzoxazole derivative. Additionally, the molecule conforms with Lipinski's rule and has promise in terms of bioavailability, according to pharmacokinetic parameters analyzed by ADME (absorption, distribution, metabolism, excretion) analysis utilizing Schrödinger Admetlab 2.0 software. Finally, molecular docking analysis was performed for 2HQ6 (colon cancer) and 4JPS (lung cancer), which are known target enzymes in cancer therapy. In the docking analysis, a score of -9.30 kcal/mol was obtained for the 2HQ6 enzyme code, while a score of -8.60 kcal/mol was obtained for the 4JPS enzyme code. These findings indicate that BOXP is a valuable molecule candidate for pharmaceutical development. ADME ; Benzoxazole ; Docking (animal) ; Molecule ; Density functional theory ; Molecular orbital ; Enzyme Nonlinear Optical Materials Research ; Cancer Research and Treatment ; Synthesis and Characterization of Pyrroles
Authors: Mohamed El Bastrioui | Aouatif El Abdouni | Hasnae El Allaoui | Kawthar El Ahmadi | Mohamed Bouhrim | Mohammed Al-zharani | Fahd A. Nasr | Ashraf Ahmed Qurtam | Khadija Haboubi
Source: Arabian Journal of Chemistry (article, 2026-02-28)
Field: Materials Science — Materials Chemistry

Two decades of research on green inhibition of steel corrosion: A bibliometric review This work proposes an in-depth bibliometric analysis of the scientific publications on medicinal plant extracts as inhibitors of steel corrosion. The objective is to identify research trends, the most influential authors, the most active countries, as well as the evolution of citations over time. Based on the data extracted from the “Scopus” database, the study uses “R Studio” for data analysis and “VOS viewer” for network visualizations. The results reveal a significant growth in the number of publications and citations from 2011 onwards, with a peak in activity between 2017 and 2022. The main contributors to this research are India, China, Morocco, and Iran, whose researchers and institutions have played a crucial role in advancing research in this field. This study highlights the major lines of research and offers an overview of the prospects in this rapidly expanding field. Bibliometrics ; Work (physics) ; Citation analysis ; Quantitative analysis (chemistry) ; Scientometrics Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals
Authors: Sang Woon Lee | Ju Young Sung | Chae Hyun Lee | Yebin Lim | In Su Oh | Sang Hyuk Lee | Kyeong Hyeon Choi
Source: Journal of Materials Chemistry C (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Recent progress in alternative metals for advanced interconnects Alternative interconnect materials with short electron mean free paths can mitigate the resistivity size effect beyond Cu. Single-element, binary, ternary, and topological candidates are discussed with key integration challenges. Transistor ; Semiconductor ; Metal ; Interconnection ; Semiconductor device Copper Interconnects and Reliability ; Semiconductor materials and interfaces ; 3D IC and TSV technologies
Authors: Lijia Liu | Wenpeng Zhao | Feng Wang | Xuequan Zhang | Heng Liu
Source: Catalysts (article, 2026-01-27)
Field: Chemistry — Organic Chemistry

End-Functionalization in Coordination Chain Transfer Polymerization of Conjugated Dienes Coordination chain transfer polymerization (CCTP) has emerged as an efficient and controllable polymerization strategy that also allows for efficient in situ end-functionalization of polydienes through the highly reactive metal–carbon bonds that are generated during the CCTP process. Despite substantial progress in CCTP chemistry, reviews focusing specifically on its application to diene monomers—and particularly on its effectiveness in producing end-functionalized polydiene elastomers—remain scarce. To address this gap, this review summarizes the advances achieved over the past decade in the end-functionalization of polydienes via CCTP. We begin with a brief overview of the fundamental principles and core mechanisms of CCTP, followed by a systematic discussion of functionalization strategies for key diene monomers, including isoprene and butadiene. Finally, we highlight the existing challenges in this field and provide our perspectives on future research directions. Diene ; Chain transfer ; Polymerization ; Isoprene ; Conjugated system ; Catalytic chain transfer Synthesis and Properties of Aromatic Compounds ; Organometallic Complex Synthesis and Catalysis ; Advanced Polymer Synthesis and Characterization
Authors: Loveleen Kaur | Kawal Preet | Anasuya Mishra | Bigyan Ranjan Jali | Deepak B. Salunke | Subash Chandra Sahoo
Source: Frontiers in Chemistry (article, 2026-03-04)
Field: Materials Science — Materials Chemistry

Thermally tunable naphthalene diimide solvates enable selective sensing, reversible photochromism, and anti-counterfeiting applications Recent studies have highlighted the potential of naphthalene diimide (NDI)-based molecules for their stimuli-responsive and optical properties. In this work, we report two naphthalene diimide (NDI)-based solvates, designated as NDI-1 and NDI-2, were successfully synthesized from 4-aminopyridine and 1,4,5,8-naphthalene tetracarboxylic dianhydride (NDA) and comprehensively characterized using FT-IR, thermogravimetric analysis (TGA), UV-Vis, fluorescence spectroscopy, powder X-ray diffraction (PXRD), <sup>1</sup>H NMR, single-crystal X-ray diffraction, and Hirshfeld surface analysis. Despite being solvates of each other, NDI-1 and NDI-2 exhibit distinct solvatochromic properties in DMF solution, as demonstrated by their unique UV-Vis absorption and fluorescence responses. Notably, the compounds display exceptional selectivity toward Hg<sup>2+</sup> ions in DMF, outperforming a range of competing metal ions and producing characteristic optical changes. Furthermore, both solvates undergo reversible photochromic transformations upon exposure to UV light (365 nm), sunlight, and tungsten light, with the fastest switching under UV irradiation. These light-induced color changes gradually revert after removal of the stimulus, and similar reversible behavior is retained in polymer-embedded films (PVDF@NDI-1). Overall, this study provides a valuable strategy for designing multifunctional NDI-based materials, addressing the limited availability of conjugated systems that simultaneously exhibit multiple responsive properties and offering promising prospects for secure data storage and anti-counterfeiting technologies. Diimide ; Naphthalene ; Solvatochromism ; Photochromism ; Thermogravimetric analysis ; Fluorescence ; Absorption (acoustics) ; Molecule ; Selectivity Photochromic and Fluorescence Chemistry ; Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials
Authors: Younan Xia | Yutong Wang | Kyle D. Gilroy
Source: Materials and Interfaces (article, 2026-03-23)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Understanding the Surface Oxidation of Ag Nanocrystals Under Different Environmental Conditions In many cases, the presence of a shell of surface oxide detrimentally alters the properties of nanomaterials, rendering them ineffective for the targeted applications. This issue is yet to be addressed because the growth and removal of oxide(s) from the surface of nanomaterials is still poorly understood. In this article, we used vapor-phase-derived Ag nanocrystals with controlled sizes to elucidate the mechanisms of surface oxidation by exposing them to ambient atmosphere, aqueous environments, and ethylene glycol. Our experimental data suggested that the thickness of an oxide shell directly correlated with the extent of plasmon damping, and the optical properties of nanocrystals below 8 nm in size were more drastically affected by the presence of an oxide shell relative to larger counterparts. In addition, we found that aqueous environments with a relatively high pH gave rise to higher rates of oxidation. The time-dependent changes in optical properties were also validated using theoretical simulations based on the discrete dipole approximation. We concluded this article by discussing three different strategies for effectively removing the surface oxide, including decomposition through thermal annealing, wet-chemical reduction through the addition of a reducing agent, and decomposition and/or reduction by electron irradiation. Oxide ; Aqueous solution ; Nanocrystal ; Nanomaterials ; Nanoparticle ; Thermal decomposition ; Surface plasmon Gold and Silver Nanoparticles Synthesis and Applications ; Laser-Ablation Synthesis of Nanoparticles ; Nanomaterials and Printing Technologies
Authors: Mohammad Nur‐E‐Alam
Source: Preprints.org (preprint, 2026-02-19)
Field: Materials Science — Materials Chemistry

Materials-to-Systems Integration for Sustainable Energy: A Reflective Perspective on Translational Materials Science This article presents a reflective survey of research contributions that are related to functional thin film materials, photovoltaic-related architectures, and energy-oriented applications. By synthesising findings from multiple investigations focused on semiconductors, metal-oxide composite systems, nanostructured coatings, and building relevant constituents, the work concentrates on proceeding of fabrication strategies as well as structure-property interrelationships and application-driven performance metrics. Rather than giving a full review of the literature, the article combines some of the experimental observations to highlight recurrent themes such as process optimisation, interface engineering, and multifunctional material behaviour. Particular emphasis is placed on the modulation of optical, electrical, and functional performance by modest variations in deposition conditions, dopant incorporation strategies, and structural design. A cross-there theme analysis shows practical feasibility, long-term stability, and scalability as important as peak performance in determining the suitability of advanced materials for energy applications. Unlike conventional component-focused reviews, this perspective articulates a translational design logic linking materials processing decisions directly to device reliability and system-level energy performance, providing a conceptual framework for accelerating lab-to-field deployment of sustainable energy technologies. The purpose is to highlight cross-cutting translational challenges and design principles that link functional materials to device- and system-level deployment, with particular relevance to real-world and remote-environment energy applications. Perspective (graphical) ; Software deployment ; Process (computing) ; Relevance (law) ; Theme (computing) ; Interface (matter) ; Translational research ; Reliability (semiconductor) Chemical and Physical Properties of Materials ; Machine Learning in Materials Science ; TiO2 Photocatalysis and Solar Cells