jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Akash Gondaliya | Majed Amini | Mohammad Arjmand | E. Johan Foster
Source: Advanced Engineering Materials (article, 2026-01-07)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Sustainable Synthesis of Bio‐Based Magnetic and Conductive Wood for Electromagnetic Interference Shielding Applications The rapid proliferation of smart electronics and 5G/6G wireless infrastructure has heightened environmental and operational concerns associated with electromagnetic wave (EMW) pollution. Extended EMW exposure is implicated in adverse health outcomes and induces electromagnetic interference (EMI) that undermines the reliability of advanced electronic and power distribution systems. To address these challenges, a solvent‐free, two‐step synthesis introduces a sustainable, wood‐derived EMI shielding material, “Magwood (MW).” This approach integrates vacuum‐assisted FeCl 2 impregnation (0–3 m ) with direct N 2 pyrolysis (400–1000 °C), eliminating the need for organic solvents, delignification, or any harsh chemical treatment to synthesize in situ metal crystals, thereby advancing green‐chemistry principles. This scalable method generates a hierarchically porous, magnetic, and electrically conductive structure that can be implemented for any wood species. Optimizing the precursor concentration (1 m ) and pyrolysis temperature (800 °C) yields a saturation magnetization of 25.2 emu g −1 , an electrical conductivity of 24.3 S cm −1 , and a total shielding effectiveness (SE T ) of 45.9 dB (&gt;99.99% attenuation of X‐band). MW additionally exhibits intrinsic hydrophobicity (static contact angle ≈99°) and self‐extinguishing behavior, endorsing its use in lightweight, sustainable EMI gaskets, casings, and architectural interlayers. Electromagnetic shielding ; EMI ; Electromagnetic interference ; Electrical conductor ; Attenuation ; Electronics ; Pyrolysis ; Electromagnetic compatibility ; Electrically conductive Electromagnetic wave absorption materials ; Flame retardant materials and properties ; Natural Fiber Reinforced Composites
Authors: Lingling Zhang | Changchun Jiang | Chao Yang | Yingzhi Guo
Source: Coatings (article, 2026-01-07)
Field: Materials Science — Materials Chemistry

Research Hotspots and Trends in the Corrosion and Protection of Bronze Cultural Relics Based on Bibliometrics The overall knowledge structure, developmental context, and research frontiers in the field of bronze cultural relic corrosion and protection are lacking. This study employs bibliometric methods to comprehensively analyze 2614 relevant publications from 1906 to 2025 in the Web of Science Core Collection, utilizing the software Citespace 6.2.R3 to construct a knowledge map. The research results based on the number of publications and keyword statistics indicate that the research in this field has undergone a temporal evolution of research trends. Since 2010, the annual number of publications has grown rapidly, peaking in 2024, which reflects the continuously increasing academic attention given to the subject. Globally, China, Italy, and the United States are the leading contributors, forming a closely knit international cooperation network. Among these, China leads in total publications, though there remains room for improvement in its centrality within the collaborative network. Major research institutions are primarily large scientific organizations, such as the National Research Council of Italy and the Chinese Academy of Sciences. Keyword analysis demonstrates that research hotspots have long centered on “corrosion mechanisms and control” and “innovative protection materials and technologies”. Temporal evolution analysis further indicates that the research paradigm is shifting: from the early investigations of mechanisms, through a middle phase focused on material development, to the current emphasis on the development of preventative and intelligent protection systems via multidisciplinary integration. This study systematically reviews the field’s evolutionary trajectory, collaboration networks, and thematic dynamics, providing a comprehensive reference for research planning and future development. Bibliometrics ; Multidisciplinary approach ; China ; Construct (python library) ; Field (mathematics) ; Thematic map ; Centrality ; Compendium Corrosion Behavior and Inhibition ; Conservation Techniques and Studies ; Cultural Heritage Materials Analysis
Authors: Enas Daoud | Hussam Al-Din Haitham Kareem | Amina Dawood Suleman | Praharshkumar B. Raj | Subbulakshmi Ganesan | C. P. Surya | Lalita Chopra | Réza Mohammadi
Source: Journal of Saudi Chemical Society (article, 2026-03-27)
Field: Chemistry — Organic Chemistry

Guanine-functionalized MWCNT-supported Cu(I) magnetic nanocatalyst for green synthesis of isoquinolines in PEG/H₂O This study reports the development of a guanine-functionalized, multi-walled carbon nanotube (MWCNT)–supported copper(I) magnetic nanocatalyst designed to enable a rapid, green, three-component synthesis of isoquinolines. The reaction combines substituted 4-bromobenzaldehyde, acetamide, and substituted phenylacetylene in the presence of potassium acetate as the base, using a PEG/water solvent system at 100 °C for three hours. The guanine moiety enhances the activity of the Cu(I) centers and facilitates magnetic separation of the catalyst, promoting sustainability and convenient recovery. The catalyst was prepared via a stepwise sequence of MWCNT modification, deposition of Fe3O4 magnetic nanoparticles, guanine functionalization, and coordination of Cu(I), yielding a robust, magnetically retrievable material with uniform dispersion of Fe3O4 and CuI on the CNT framework. Comprehensive characterization by FT-IR, XRD, TGA, BET, SEM, TEM, EDX, and VSM confirmed successful functionalization, strong thermal and chemical stability, and efficient nanoparticle distribution on the CNT support. Under optimized conditions, KOAc as the base and a PEG/H2O (2:1) solvent system afforded isoquinolines in high yields within three hours, with broad substrate tolerance across electron-donating, electron-withdrawing, and heteroaryl functionalities. Mechanistic insights point to a Cu(I)-mediated sequence involving oxidative addition, alkyne activation, C–C coupling, cyclization, and aromatization on the catalyst surface, with guanine functionalization stabilizing the Cu(I) center and facilitating substrate activation. Notably, the catalyst demonstrated recyclability for at least seven cycles with minimal loss of activity and preserved magnetic and structural integrity, underscoring its practical potential. Overall, this work introduces the first guanine-anchored, MWCNT-supported Cu(I) magnetic nanocatalyst for fast, high-yielding, and recyclable multicomponent isoquinoline synthesis under green solvent conditions, highlighting the promise of nucleobase-functionalized nanomaterials in advancing environmentally friendly organic synthesis. Phenylacetylene ; Catalysis ; Magnetic nanoparticles ; Substrate (aquarium) ; Moiety ; Green chemistry ; Solvent ; Amination Catalytic C–H Functionalization Methods ; Multicomponent Synthesis of Heterocycles ; Asymmetric Hydrogenation and Catalysis
Authors: Mohamed Abu Shuheil | Ahmed Aldulaimi | Rekha M. M. | Subhashree Ray | Omayma Salim Waleed | C. P. Surya | Rahul Sharma | Vatsal Jain
Source: Frontiers in Chemistry (article, 2026-02-05)
Field: Chemistry — Organic Chemistry

GO/MNPs–TEA–CuI in water: a green and efficient catalytic system for multicomponent preparation of highly substituted imidazoles and oxazoles A sustainable and highly efficient catalytic protocol has been developed employing graphene oxide-supported magnetic nanoparticles functionalized with triethanolamine and copper(I) iodide (GO/MNPs-TEA-CuI) for the synthesis of functionalized imidazole and oxazole derivatives. This magnetically recoverable catalyst promotes multicomponent coupling reactions between aryl aldehydes, aryl nitriles, and terminal alkynes in aqueous media under reflux conditions, emphasizing its environmentally benign nature. The system efficiently affords a broad scope of products in excellent yields (77%-99%) within short reaction times (15-80 min for imidazoles and 1-8 h for oxazoles). The catalyst exhibits outstanding activity, attributed to the synergistic interaction between the GO surface, magnetic core, and Cu(I) active centers, resulting in high TON and TOF values. Moreover, it tolerates diverse functional groups, including electron-donating, electron-withdrawing, and heteroaromatic substituents, enabling versatility in substrate design. The catalyst can be conveniently separated using an external magnet and reused for several consecutive cycles without appreciable loss of efficiency. Overall, this green and recyclable catalytic system offers an economical and scalable approach for constructing nitrogen- and oxygen-containing heterocycles, providing a promising route for sustainable synthesis in pharmaceutical and fine chemical industries. Catalysis ; Triethanolamine ; Aryl ; Imidazole ; Green chemistry ; Substrate (aquarium) ; Oxazole ; Iodide ; Ferrocene Multicomponent Synthesis of Heterocycles ; Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions
Authors: Qiao Yao | Lei Cai | Fei Xiao | Yu-Ting Ma | Site Li | Juan Yi | Yao Wang
Source: Molecules (article, 2026-03-15)
Field: Materials Science — Materials Chemistry

Heavy-Atom Effect Modulated Photoluminescence Properties of Trinuclear Copper(I) Clusters with Haloarylacetylene Ligands Copper(I) clusters have attracted significant interest due to their ultrasmall size, excellent photostability, large Stokes shift, and long emission lifetime. However, research on their structure-property relationship remains limited. In this study, we synthesized and comprehensively characterized a series of trinuclear copper(I) clusters, [Cu<sub>3</sub>(dppm)<sub>3</sub>(C≡CC<sub>6</sub>H<sub>4</sub>X)<sub>2</sub>]PF<sub>6</sub> [Cu<sub>3</sub>-X, X = F, Cl, Br, and I, dppm = bis(diphenylphosphino)methane], in order to investigate the effect of ligands containing heavy atoms on photoluminescence. All clusters have the same triangular metal core and similar distribution of ligands, with the only difference being the substituent on the phenyl ring of the arylacetylene ligand. Owing to the heavy-atom effect, a notable Stokes shift was observed in the emission spectra of the clusters. Specifically, the emission peak of <b>Cu<sub>3</sub>-I</b> reached 564 nm, representing a 73 nm red shift compared to that of <b>Cu<sub>3</sub>-F</b>. Furthermore, <b>Cu<sub>3</sub>-Br</b> showed an absolute photoluminescence quantum yield of 15.24% and a lifetime of 114.56 μs, corresponding to 3.3-fold and 3.7-fold increases over the values for <b>Cu<sub>3</sub>-F</b>. This study provides novel insights into the heavy-atom effect of surface ligands on the luminescence of copper(I) clusters and offers a robust platform for probing their structure-property relationships. Photoluminescence ; Substituent ; Quantum yield ; Luminescence ; Spectral line ; Stokes shift ; Metal ; Yield (engineering) Nanocluster Synthesis and Applications ; Organic Light-Emitting Diodes Research ; Organometallic Complex Synthesis and Catalysis
Authors: Adefemi Adeodu | Ilesanmi Daniyan
Source: ABUAD Journal of Engineering Research and Development (AJERD) (article, 2026-03-09)
Field: Materials Science — Materials Chemistry

Graphene Nanoplatelets Reinforced Epoxy Composites for Aerospace Application: A case study for Thermal Behaviour A study was conducted to examine the effects of graphene nanoplatelets (GNPs) on the thermal characteristics of polymer nanocomposites, which are extensively utilised in packaging, biomedicine, and microelectronics. Following ASTM guidelines, samples of GNPs and epoxy were made by shear mixing and solution compounding. Thermo Gravimetric Analyzer (TGA) and Differential Scanning Calorimetry (DSC) were used to examine the samples' thermal stability and glass transition temperature. The results showed that weight retention improved with increasing graphene content, while the addition of GNPs considerably improved thermal properties. As the GNP content increased from 20% to 30%, the glass transition temperature (Tg) climbed from 50°C to 53°C. This study provides important information for material developers by highlighting the possibility for enhanced thermal performance of graphene-dispersed polymer nanocomposites. Glass transition ; Differential scanning calorimetry ; Epoxy ; Thermal stability ; Thermal ; Graphene ; Exfoliated graphite nano-platelets ; Polymer Graphene research and applications ; Polymer Nanocomposites and Properties ; Thermal properties of materials
Authors: Kyaw Hla Saing Chak | Bipin Bhattarai | Andrew C. Meng | Yijia Gu
Source: npj Computational Materials (article, 2026-03-05)
Field: Materials Science — Materials Chemistry

Integrated thermodynamic modeling of composition and strain tunable ferroelectricity in Wurtzite Zn1-xMgxO Ferroelectric wurtzite $${{\rm{Zn}}}_{1{-}{\rm{x}}}{{\rm{Mg}}}_{{\rm{x}}}{\rm{O}}$$ shows significant promise due to its ferroelectric properties, scalability, and compatibility with semiconductor platforms. We develop an integrated thermodynamic modeling framework that couples CALPHAD, first-principles calculations, and Landau-Devonshire theory to predict phase stability and ferroelectric behavior in $${{\rm{Zn}}}_{1{-}{\rm{x}}}{{\rm{Mg}}}_{{\rm{x}}}{\rm{O}}$$. CALPHAD quantifies the solubility limit in wurtzite and delineates the critical phase boundary for supersaturation, offering insights into phase separation relevant for synthesis and processing. First-principles calculations provide composition-dependent structural, elastic, and ferroelectric properties, enabling parameterization of Landau-Devonshire ferroelectric model for wurtzite $${{\rm{Zn}}}_{1{-}{\rm{x}}}{{\rm{Mg}}}_{{\rm{x}}}{\rm{O}}$$ single crystals. Extending the framework to epitaxial thin films, we show how composition and biaxial strain jointly influence phase stability and room temperature functional properties. Large biaxial tensile strain stabilizes the wurtzite phase with high Mg content in thin films, unlike the equilibrium two-phase mixture with very limited Mg solubility. Meanwhile, tensile epitaxial strain reduces polarization but enhances dielectric and piezoelectric responses by driving a polar-to-nonpolar transition within the accessible composition range. Together, these results demonstrate that both chemical modification and strain engineering are essential for enabling and tuning ferroelectricity in $${{\rm{Zn}}}_{1{-}{\rm{x}}}{{\rm{Mg}}}_{{\rm{x}}}{\rm{O}}$$. Our unified approach establishes a comprehensive thermodynamic framework for the predictive design of strain-tunable wurtzite ferroelectrics. Ferroelectricity ; Strain (injury) ; Composition (language) ; Wurtzite crystal structure ; Solid solution ; Chemical composition Ferroelectric and Piezoelectric Materials ; Multiferroics and related materials ; ZnO doping and properties
Authors: Yamini Vinayagam | Devi Rajeswari Vijayarangan
Source: Frontiers in Nanotechnology (article, 2026-04-13)
Field: Materials Science — Materials Chemistry

Mycogenic TiO2 nanoparticles for remedying toxic metals in industrial wastewater and their toxicity profiling Introduction Heavy metal pollution, particularly cadmium and chromium, poses a global environmental challenge due to its detrimental effects. Nanobioremediation is an advanced approach to remediate heavy metal contamination. Bioactive molecules extracted from Aspergillus penicillioides VDRVYF serve as a stabilising and capping agent for producing TiO 2 nanoparticles. This study presents an eco-friendly approach using fungus-mediated TiO 2 nanoparticles to remove heavy metal ions from industrial effluents. Methodology The research adopted a comprehensive approach, employing batch adsorption studies, adsorption kinetics, and heavy metal analysis via atomic absorption spectroscopy (AAS). The collected effluent samples from the battery and automobile industries were treated with 50 μg/mL TiO 2 nanoparticles for 5 hours under sunlight. Physicochemical analysis was carried out, and the results were compared with the CPCB standard limit. Additionally, desorption and reuse studies were performed. Furthermore, toxicity assays were conducted to evaluate cytotoxic effects on living cells. Results AAS determines the optimal conditions for the adsorption of heavy metals employing Aspergillus penicillioides VDRVYF-mediated TiO 2 nanoparticles. The physicochemical parameters of untreated wastewater samples exceeded CPCB standards, rendering direct discharge infeasible. However, treated samples showed over 72% metal ion adsorption, with physicochemical parameters falling within permissible limits. Reusability studies revealed that the nanoparticles adsorption efficiency was maintained for upto six cycles, with a final rate of 65.2%. Furthermore, phytotoxicity and the MTT assay confirmed the biocompatibility of the nanoparticles. Conclusion The findings demonstrate that bio-based TiO 2 nanoparticles are a promising agent for sustainable industrial wastewater treatment, effectively reducing heavy metal contamination. Adsorption ; Cadmium ; Industrial wastewater treatment ; Nanoparticle ; Effluent ; Wastewater ; Metal ions in aqueous solution ; Ecotoxicity Nanoparticles: synthesis and applications ; Chromium effects and bioremediation ; Adsorption and biosorption for pollutant removal
Authors: Andrei Paraschiv | Daria Brambilla | Giancarlo Cravotto | Cristina Prandi | Salvatore Baldino | Katia Martina
Source: Frontiers in Chemistry (article, 2026-02-26)
Field: Chemistry — Inorganic Chemistry

Coordinating ability and versatility of organosulfur-based ligands in transition metal catalyzed hydrogenative and hydrogen auto-transfer processes Transition metal complexes with sulfur-donor ligands serve as efficient catalysts in numerous homogeneous reactions, owing to the coordination diversity of sulfur-based ligands and the possibility to obtain chiral and achiral complexes. Historically dominated by phosphorus and nitrogen, transition metal compounds with electron-rich sulfur-donor ligands have recently attracted research interest because of their close connection with enzymatic transformation. This review presents a comprehensive overview of recent applications of sulfur-ligated metal complexes in hydrogenative and strictly related hydrogen auto-transfer processes, namely hydrogenation, transfer hydrogenation and borrowing hydrogen reactions. Particular attention is given to the impact of ligand selection on the reaction outcomes, and on the influence of sulfur to give stability at the catalytically active metal complex. Additionally, the review compares conventional hydrogenation and transfer hydrogenation strategies with emerging approaches involving metal-ligand cooperation in the presence of sulfur-based ligands. Catalysis ; Transition metal ; Transfer hydrogenation ; Homogeneous ; Hydrogen ; Ligand (biochemistry) ; Metal ; Homogeneous catalysis Asymmetric Hydrogenation and Catalysis ; Sulfur-Based Synthesis Techniques ; Organophosphorus compounds synthesis
Authors: Lucas Foppa | Matthias Scheffler
Source: arXiv (Cornell University) (article, 2026-04-09)
Field: Materials Science — Materials Chemistry

Unveiling the Core of Materials Properties via SISSO and Sensitivity Analysis Interpretable AI can reveal physical principles governing intricate materials properties by uncovering explicit relationships between physical parameters and target properties. The sure-independence screening and sparsifying operator (SISSO) symbolic-regression approach identifies analytical expressions that correlate a target property with a small set of parameters, termed materials genes, selected from a large pool of candidates. However, multiple gene combinations can yield equally accurate SISSO models, with individual genes contributing with different weights. Here, we establish a derivative-based sensitivity analysis that resolves the non-uniqueness of symbolic-regression descriptions, enhances interpretability, thereby enabling deeper physical insight. This analysis reveals how distinct gene combinations encode equivalent information and identifies valence orbital radii, nuclear charges, and their products as the key quantities governing the equilibrium lattice constant of perovskites. Core (optical fiber) ; Sensitivity (control systems) ; Set (abstract data type) ; Property (philosophy) ; Lattice (music) ; ENCODE ; Operator (biology) ; Valence (chemistry) Machine Learning in Materials Science ; Inorganic Chemistry and Materials ; Advanced Condensed Matter Physics
Authors: Sandrine Heutz | Martin Heeney | Garry Rumbles | Jenny Nelson
Source: Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences (article, 2026-01-29)
Field: Materials Science — Materials Chemistry

Excitonic frontiers Abstract Processes involving the photoexcited states of matter, or excitons, underpin some of today’s most important and diverse scientific advances, from solar cells, to quantum technologies via photosystems and catalysis. The discussion meeting brought together world-leaders from traditionally separate fields to share views on the fundamental science, exploitation and characterisation of excitons, aiming to generate radical advances in exciton science and technology. This special issue gathers key papers from the different fields, spanning quantum phenomena to fundamental understanding of exciton delocalisation. This article is part of the discussion meeting issue ‘Excitonic frontiers’. Exciton ; Field (mathematics) ; Key (lock) ; Quantum ; Work (physics) Chemical and Physical Properties of Materials ; Strong Light-Matter Interactions ; Quantum Dots Synthesis And Properties
Authors: Xinhua Liu | Siyu Liu | Yuan Zhang | Baojing Luo | Xiaoyu Shi | Xiuge Wang | Ying Wang | Boxi Yang | Jiarui Du | Xinyuan Zhang | Xiaodan Liu | Taoyi Zheng
Source: Arabian Journal of Chemistry (article, 2026-03-25)
Field: Materials Science — Materials Chemistry

Synergistic inhibition of Q235 steel (QCS) corrosion in H₂SO₄ by silkworm sand extract (Sse) and KI In recent years, plant extracts had emerged as a promising alternative to conventional corrosion inhibitors, gaining significant attention in green chemistry research. However, using plant extracts alone resulted in the lower corrosion suppression efficiency ( ƞ ). In order to improve the ƞ of plant extract, the synergistic corrosion suppression behavior and mechanism of silkworm sand extract (Sse) and potassium iodide (KI) on Q235 steel (QCS) were studied for the first time in 0.5 M H 2 SO 4 . Both weightlessness and electrochemical method demonstrated that ƞ of QCS was optimal and exceeded 90% at 30°C in a 0.5 M H 2 SO 4 containing 0.9 g/L Sse and 0.06 g/L KI (Sse/KI). When used alone of 0.9 g·L -1 Sse and 0.06 g·L -1 KI, ƞ was 71.12% and 40.16% respectively. Therefore, the synergetic effect of Sse and KI gave the corrosion inhibitor excellent corrosion suppression properties. In addition, scanning electron microscopy (SEM), atomic force microscopy (AFM) and contact angle (CA) demonstrated that Sse/KI could significantly decrease QCS corrosion in acidic environments. X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) confirmed that Sse/KI were adsorbed onto the QCS to form a protective film, reducing the QCS damage in acidic environments. Corrosion ; Scanning electron microscope ; X-ray photoelectron spectroscopy ; Adsorption ; Electrochemistry ; Corrosion inhibitor Corrosion Behavior and Inhibition ; Concrete Corrosion and Durability ; Hydrogen embrittlement and corrosion behaviors in metals