jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Simone Bertucci | Davide Piccinotti | Mauro Garbarino | Andrea Escher | Gianluca Bravetti | Christoph Weder | Paola Lova | Davide Comoretto | Ullrich Steiner | Francesco Di Stasio | Andrea Dodero
Source: Nanoscale (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

One-pot synthesis of photonic microparticles doped with light-emitting quantum dots Colloidal quantum dots (QDs) exhibit size-dependent, tuneable optical properties that render them useful in a wide range of technological applications. However, integration of QDs into structured materials remains a significant challenge due to their susceptibility to degradation under chemical or physical perturbations. Here, we present a facile, scalable one-pot co-assembly strategy to embed commercially available CdSe/ZnS core-shell quantum dots into photonic microparticles <i>via</i> the confined self-assembly of a poly(styrene)-<i>b</i>-poly(2-vinylpyridine) block copolymer in emulsion droplets. The resulting hybrid particles exhibit a well-defined concentric lamellar structure and the quantum dots are selectively incorporated into the domains formed by the poly(2-vinylpyridine) blocks. This design enables two different optical responses, <i>i.e.</i>, vivid, non-iridescent structural colouration from photonic bandgap effects and stable engineered photoluminescence from the embedded QDs. The use of swelling agents provides an effective means to tune the photonic bandgap spectral position, extending the optical range to the entire visible region. Optical experiments reveal a subtle interplay between the photonic structure and QD emission, and the emission properties remain intact despite variations in the structural periodicity and matrix refractive index. This work highlights a robust platform for the integration of functional nanomaterials into photonic architectures, offering significant potential for applications in advanced light sources, displays, and sensing technologies. The simplicity of the approach, combined with its scalability, sets the stage for future exploration into hybrid photonic materials with tailored optical properties. Quantum dot ; Materials science ; Photonics ; Nanotechnology ; Doping ; Optoelectronics ; Range (aeronautics) ; Colloid ; Chemistry ; Composite material Quantum Dots Synthesis And Properties ; Photonic Crystals and Applications
Authors: Kerem Emre Ercan | Mustafa Karatok | Zafer Say | Merve Kurt | Abel Tetteh Sika-Nartey | Emrah Özensoy
Source: ACS Applied Nano Materials (article, 2025-08-18)
Field: Materials Science — Materials Chemistry

Cooperative Catalytic Role of Co and Mn Sites on LaCo<sub><i>x</i></sub>Mn<sub>1–<i>x</i></sub>O<sub>3</sub> Perovskite Nanoparticles in CO and NO Oxidation Perovskites have significant potential to improve efficiency, reduce the costs of conventional oxidation catalysts, and contribute to cleaner and more sustainable energy solutions. However, numerous structural factors influencing their catalytic performance are still a subject to debate. In this study, simple perovskite nanoparticles in the form of LaCoO<sub>3</sub> (LC) and LaMnO<sub>3</sub> (LM), as well as LaCo <sub><i>x</i></sub> Mn<sub>1-<i>x</i></sub> O<sub>3</sub> (LCM)-mixed B-site perovskites with different B-site cations, were synthesized and their performances in CO oxidation and NO oxidation reactions were examined. The LaCo<sub>0.8</sub>Mn<sub>0.2</sub>O<sub>3</sub> catalyst exhibited the highest catalytic activity in both CO and NO oxidation reactions, surpassing the 1 wt %Pt/γ-Al<sub>2</sub>O<sub>3</sub> benchmark nanoparticle catalyst and other currently investigated perovskite nanoparticles. Co sites (predominantly Co<sup>3+</sup>) in the optimized LaCo<sub>0.8</sub>Mn<sub>0.2</sub>O<sub>3</sub> catalyst were found to be enriched in electron density, while Mn sites (mostly in Mn<sup>4+</sup> form) were found to be more electron deficient as opposed to LC and LM. LaCo<sub>0.8</sub>Mn<sub>0.2</sub>O<sub>3</sub> not only released significantly greater amounts of oxygen and generated larger extents of oxygen vacancies than LC and LM under reducing conditions but also achieved this at favorably lower temperatures. In light of the current results, we report that Co sites in LCM operate as the main active site during both CO and NO oxidation by enabling stabilization and activation of O<sub>2</sub> (ads), while Mn sites mainly serve as promoters by increasing the adsorption strength of CO (ads) and NO (ads) as well as facilitating oxygen vacancy formation and vacancy regeneration, where oxygen vacancies were also found to contribute particularly to the NO oxidation reaction within the currently investigated thermal window. These findings demonstrate that the electronic properties of LCM can be systematically tailored at the nanometer scale in a versatile manner to address different reactivity requirements of challenging catalytic reactions. Perovskite (structure) ; Catalysis ; Nanoparticle ; Manganese ; Materials science ; Crystallography ; Inorganic chemistry ; Chemistry ; Nanotechnology ; Metallurgy Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Gas Sensing Nanomaterials and Sensors
Authors: Hai‐Yang Guo | Donglin He | De‐Liang Long | Leroy Cronin
Source: Chemical Communications (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Robotic exploration of amino-acid functionalised molybdenum blue polyoxometalate nanoclusters A robotic platform was employed to investigate the synthetic conditions for the assembly of molybdenum blue (MB) polyoxometalates in a large chemical space that included concentrations of reactants, the amount of reducing agent, solution pH <i>etc.</i> Four different solid phases of {Mo<sub>154</sub>} MB clusters were identified and crystallographically explored, demonstrating the robotic platform's strength in targeted exploration. Polyoxometalate ; Nanoclusters ; Molybdenum ; Chemistry ; Combinatorial chemistry ; Polymer chemistry ; Nanotechnology ; Inorganic chemistry ; Materials science ; Organic chemistry ; Catalysis Polyoxometalates: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications
Authors: Leonardo Tacconi | Anna Schannong Manvell | Arianna Lanza | Høgni Weihe | Maher Hojorat | François Riobé | Olivier Maury | Jesper Bendix | Mauro Perfetti
Source: Inorganic Chemistry (article, 2025-06-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Magnetic Properties of Prolate Lanthanide Complexes: Synergy between Axial and Equatorial Ligands The chemical design of single-molecule magnets is a vibrant field of research. Huge efforts in determining the key factors to slow down the relaxation time of the magnetization led to massive improvements in the blocking temperature. Even though several lanthanides are excellent magnetic anisotropy building blocks, the current literature is dominated by (pseudo)-axial Dy<sup>3+</sup> complexes. Prolate ions such as Er<sup>3+</sup> and Yb<sup>3+</sup> exhibit on average relatively modest barriers and fast relaxation times. In this paper, we pinpoint how the combination of symmetry and ligand charge distribution affects the slow relaxation of prolate ions. In this paper, we synthesized and characterized two new lanthanide complexes, namely, [LnDOTA][CoF<sub>2</sub>(py)<sub>4</sub>] (Ln = Er<sup>3+</sup> or Yb<sup>3+</sup>, DOTA = tetraazacyclododecane-<i>N</i>,<i>N</i>',<i>N</i>″,<i>N</i>‴-tetraacetate, py = pyridine). Such complexes were used to provide a proof of concept that apical ligands, typically considered detrimental in prolate ion complexes, can be exploited in combination with the other ligands' geometry to improve the performances of the system. Chemistry ; Lanthanide ; Prolate spheroid ; Inorganic chemistry ; Crystallography ; Organic chemistry ; Classical mechanics ; Ion Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Metal complexes synthesis and properties
Authors: Sahar Y. Rajeh | Aljazi Abdullah Alrashidi | Raoudha Soury | Mahjoub Jabli
Source: Polymers (article, 2025-05-28)
Field: Chemistry — Spectroscopy

Fast Removal of Naphthol Blue Black B Dye from Water Using Polyethyleneimine Functionalized Zinc, Iron, and Manganese Porphyrinic Complexes: Structural Characterization, Kinetic, and Isotherms Studies In the present work, meso-tetrakis(2,4,6-trimethylphenyl) porphyrinato)zinc(II): ([Zn(TMP)] <b>(1)</b>, meso-tetrakis-(tetraphenyl)porphyrin iron(III))chloride): [Fe(TPP)Cl] <b>(2)</b>, and meso-tetrakis(phenyl)porphyrin manganese(III) chloride): [Mn(TPP)Cl] (3) were synthesized. Then, the three prepared porphyrinic complexes <b>(1</b>-<b>3)</b> were functionalized with branched polyethyleneimine (PEI). The prepared complexes were thoroughly analyzed using several analytical techniques, including <sup>1</sup>H NMR, FT-IR, UV-vis, XRD, XRF, TGA-DTA, SEM, and EDX. The presence of sharp main peaks at 2θ between 10° and 80°, in XRD analysis, for all studied compounds suggested the crystalline nature of the porphyrinic complexes. The morphological properties of the porphyrininc complexes were significantly affected by the chemical modification with polyethyleneimine. EDX result confirmed the complexation of zinc, iron, and manganese metals with the porphyrinic core. The increase in carbon and nitrogen contents after the addition of polyethyleneimine to the complexes <b>(1</b>-<b>3)</b> was noticeable. After thermal decomposition, the total mass loss was equal to 92.97%, 66.77%, and 26.78% for complexes <b>(1)</b>, <b>(2)</b>, and <b>(3)</b>, respectively. However, for the complex <b>(1)</b>-PEI, complex <b>(2)</b>-PEI, and complex <b>(3)</b>-PEI, the total mass losses were 83.12%, 81.88%, and 35.78%, respectively. The synthetic compounds were additionally utilized for the adsorption of Naphthol blue black B from water. At optimum adsorption conditions (T = 20 °C, time = 60 min, pH = 5), the highest adsorption capacities were 154 mg/g, 139 mg/g, and 119 mg/g for complex <b>(3)</b>-PEI, complex <b>(2)</b>-PEI, and complex <b>(1)</b>-PEI, respectively. The adsorption mechanism followed the pseudo second order, the Freundlich, and the Temkin models. The results indicated that the adsorption process is reliant on chemical interactions. It was also governed by intraparticular diffusion and other kinetic phenomena. Zinc ; Manganese ; Characterization (materials science) ; Chemistry ; Kinetic energy ; Nuclear chemistry ; Materials science ; Inorganic chemistry ; Organic chemistry ; Nanotechnology Molecular Sensors and Ion Detection ; Porphyrin and Phthalocyanine Chemistry ; Advanced Nanomaterials in Catalysis
Authors: Nguyễn Hoài Nam | Xingyu Wu | Yohann Guillaneuf | Arnaud Spangenberg | Didier Gigmès | Jean‐Louis Clément
Source: Polymer Chemistry (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Synthesis of novel D–π–A-based photosensitive alkoxyamine: application of two-photon polymerization <i>via</i> nitroxide-mediated photopolymerization Fabrication of 2D microstructures from a photocurable resin containing a D–π–A-based photosensitive alkoxyamine under a two-photon absorption process and through a surface functionalization step. Photopolymer ; Nitroxide mediated radical polymerization ; Polymerization ; Two-photon excitation microscopy ; Photochemistry ; Polymer chemistry ; Chemistry ; Materials science ; Radical polymerization ; Organic chemistry ; Optics ; Physics ; Polymer Photochromic and Fluorescence Chemistry ; Photopolymerization techniques and applications ; Nonlinear Optical Materials Studies
Authors: Mohamed Agbaria | Zackaria Nairoukh
Source: ChemRxiv (preprint, 2025-07-16)
Field: Chemistry — Organic Chemistry

Dearomative Cyclization of Ynamides towards the Formation of Fused Diazabicycles We report a selective dearomative cyclization strategy for the synthesis of 3,4-fused diazabicycles from 3-substituted pyridyl ynamides. The method combines a chemo-, regio-, and stereoselective carbometalation with a regioselective dearomatization, enabling access to a broad range of diazabicyclic scaffolds with varied ring sizes. The protocol accommo-dates alkyl and aryl Grignard reagents, tolerates diverse functional groups, and supports stereodivergent synthesis, offering a versatile platform for constructing complex fused N-heterocycles with potential relevance to medicinal chemistry. Computer science ; Programming language ; Combinatorial chemistry ; Chemistry Catalytic Alkyne Reactions
Authors: Camille E. Cunin | Sara Winther | James R. Matthews | Mingqian He | Aristide Gumyusenge
Source: Small (article, 2025-04-03)
Field: Materials Science — Polymers and Plastics

Enhanced Electrochemical Response and Device Speed in Diketopyrrolopyrrole/PEO Composite Channels Achieving efficient charge conduction in organic electrochemical transistor (OECT) channel materials requires a delicate balance between electronic conduction and ion uptake. Common approaches to this challenge focus on tethering hydrophilic side chains to conjugated backbones, often resulting in complex synthetic routes. Herein, an alternative strategy is presented using composite mixed-conductive materials. Specifically, polyethylene oxide (PEO), a hydrophilic polymer, and a diketopyrrolopyrrole-based semiconductor, renowned for electronic conduction and processability, are used in varying ratios to form composite films with tunable mixed conduction and enhanced OECT performance. The effect of incorporating PEO on the composite's morphology and OECT performance in both aqueous and non-aqueous electrolytes is investigated. At the nanoscale, PEO is found to not only enhance channel hydrophilicity and ion uptake but also electrochemical gating speed, leading to improved OECT performance. These enhancements in electrochemical performance are correlated with the morphological properties of the composite via structural and in-situ spectro-electrochemical characterizations. Furthermore, the composite's response is found to vary with the electrolyte environment: in organic electrolytes such as 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EMIM-TFSI), it exhibits high-speed performance suitable for neuromorphic applications, while in aqueous electrolytes, it achieves robust ion uptake ideal for bioelectronics. These findings highlight the potential of composite designs for optimized OECT functionality across applications. Materials science ; Electrochemistry ; Bioelectronics ; Composite number ; Electrolyte ; Nanotechnology ; Self-healing hydrogels ; Conductive polymer ; Chemical engineering ; Aqueous solution ; Polymer ; Polymer chemistry ; Electrode ; Organic chemistry ; Composite material ; Chemistry ; Biosensor Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Advanced Memory and Neural Computing
Authors: Xiujun Zhang | Micheal Arockiaraj | Aravindan Maaran | C. I. Arokiya Doss
Source: Scientific Reports (article, 2025-06-05)
Field: Chemistry — Inorganic Chemistry

Topological information entropy and spectral energy analysis in aminal-linked covalent organic frameworks The development of novel topologies in covalent organic frameworks (COFs) enhances reticular chemistry and materials science, offering a systematic approach to constructing COFs and uncovering intricate relationships between their structures and properties. The inclusion of aminal derived linkages enables COFs with greater structural diversity and exceptional functionalities. This study examines the graph-structural properties of aminal-linked COFs using entropy information and hybrid topological descriptors, determining their topological complexity. Additionally, we employ these descriptors as the basis for robust statistical regression models, facilitating the generation of graph energies for these frameworks and the analysis of HOMO-LUMO gaps. Covalent bond ; Entropy (arrow of time) ; Information theory ; Statistical physics ; Computer science ; Topology (electrical circuits) ; Physics ; Mathematics ; Thermodynamics ; Combinatorics ; Statistics ; Quantum mechanics Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Molecular Sensors and Ion Detection
Authors: Lieze Dankers | Bernard Nisol | Derick Yongabi | Tom Van der Donck | Jesús Gándara-Loe | Patrick Wagner | Jin Won Seo | Rob Ameloot | Karen Leirs | Jeroen Lammertyn
Source: Advanced Materials Interfaces (article, 2025-07-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Atmospheric Cold Plasma Technology Enabling Scalable Surface‐Independent Protein Immobilization for Biosensing Applications Abstract Biosensors show great potential across various fields including, but not limited to, medical diagnostics, drug development, and environmental monitoring. Yet, commercialization faces challenges, particularly in fabrication and biofunctionalization, due to specific surface properties needed for each application. This highlights the need for a standardized biomolecule immobilization process, enabling straightforward target detection on various surfaces. Cold atmospheric plasma technology offers a scalable solution, combining surface activation with molecule grafting in a single step. This technology is employed to construct stable surface‐independent carboxylic acid (COOH) linker‐layer coatings, enabling covalent protein immobilization via 1‐ethyl‐3‐(3‐dimethylaminopropyl)carbodiimide (EDC) chemistry and creating a robust biointerface for bioassay integration. The coating's composition, surface energy, thickness, topography, and stability confirm a secure COOH‐rich layer. Biofunctionalization is studied in depth by immobilizing immunoglobulin G (IgG), streptavidin, and protein G. Enzyme‐linked immunosorbent assay (ELISA)‐based model bioassays demonstrate protein‐independent functionalization and linker‐layer stability of at least one month (stored in air). The calibration curve for IgG‐biotin detection shows a high signal‐to‐noise ratio. Consistent performance across polymethylmethacrylate (PMMA), cyclic olefin copolymer (COC), polyvinyl chloride (PVC), and glass proves the method’s universal applicability. Hence, this technology enables versatile, scalable, cost‐effective biosensor fabrication with high‐performance bioreceptor layers on various surfaces. Materials science ; Biosensor ; Nanotechnology ; Scalability ; Plasma ; Atmospheric-pressure plasma ; Surface (topology) ; Computer science Gold and Silver Nanoparticles Synthesis and Applications ; Polymer Surface Interaction Studies ; Analytical chemistry methods development
Authors: Weihao Li | Fei‐Fei Gao | Hui Xu
Source: European Journal of Organic Chemistry (article, 2025-04-28)
Field: Chemistry — Organic Chemistry

Phosphorus Heterocycles for Electroluminescence Phosphorus‐containing heterocyclic compounds exhibit significant potential for applications in electroluminescence, owing to their distinctive electronic structures and varied chemical properties. Phosphorus heterocycles serve multifunctional roles within organic light‐emitting diodes (OLEDs), including as emitters, host matrices, and electron and hole blocking layers, contributing to enhanced device performance. Their intrinsic structural characteristics confer key advantages, including superior thermal stability, high fluorescence quantum yields, and suitable energy level alignment, all of which are essential for optimizing electroluminescent (EL) efficiency. Herein, the recent progress of EL phosphorus‐containing heterocyclics materials is overviewed and their structure–property relationships, which would provide insights into expanding the applicability of OLEDs is discussed. Chemistry ; Electroluminescence ; Phosphorus ; Organic chemistry ; Photochemistry ; Combinatorial chemistry Radical Photochemical Reactions ; Catalytic Cross-Coupling Reactions ; Sulfur-Based Synthesis Techniques
Authors: Andrii Bieliatynskyi | Leila Bouziane | Olena Bakulich | Viacheslav Trachevskyi | Mingyang Ta
Source: Reviews in Chemical Engineering (article, 2025-11-07)
Field: Materials Science — General Materials Science

Technological aspects and problems of using nanoparticles as a modifier of composite materials Abstract The article provides a comprehensive analytical review of the literature on the use of nanoparticles in polymer composite materials aiming at an in-depth analysis of technological approaches to their integration and influence on the structural and functional properties of the polymer matrix. Particular attention is paid to the systematization of modern approaches to the classification of nanofillers by chemical composition and morphological features, as well as to the identification of effective ways to incorporate nanocomponents into the polymer base. This paper deals with the actual problems related to the uniform dispersion of nanoparticles, ensuring stability and effective interfacial interaction in polymer systems, which are critical for achieving the specified performance characteristics of materials. A comparative analysis of nanocomposites using carbon nanotubes, graphene, graphene oxide, nanodispersed silica, aerogels, and other nanostructured modifiers was performed. Optimal choice of nanofiller has been shown to significantly improve the mechanical, thermal, optical, electrical, conductive, and barrier characteristics of composites, which expands their application in fields such as biomedicine, electronics, energy, ecology, and construction. The technological challenges in the scaled-up production of polymer nanocomposites are generalized, and modern studies in nanochemistry and polymer synthesis are examined to outline the perspectives for their development. Nanocomposite ; Polymer ; Nanochemistry ; Nanoparticle ; Dispersion (optics) ; Composite number Material Properties and Applications ; Advanced Theoretical and Applied Studies in Material Sciences and Geometry ; Environmental and Industrial Safety
Authors: Dev Kumar Thapa | Soumava Biswas
Source: ChemPhysChem (review, 2025-08-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Plasmonics for Chemical Transformation: From Fundamentals to the Cutting‐Edge Applications Plasmonic nanostructures, leveraging the phenomenon of localized surface plasmon resonance, have emerged as transformative tools in chemical catalysis by enabling reaction pathways inaccessible to conventional approaches. This review consolidates the fundamental principles of plasmonics and highlights recent advancements in their application to sustainable chemical transformations, such as CO<sub>2</sub> reduction, selective oxidation, and hydrogenation. Notably, the innovative use of plasmon-induced hot carriers and field enhancement effects in overcoming reaction barriers, achieving unprecedented reaction selectivity and efficiency under mild conditions, is explored. The review underscores significant contributions, including the strategic coupling of plasmonic metals with defect-engineered supports, facilitating charge separation, and enabling selective product formation. The review introduces the potential of chiral plasmonic nanostructures for asymmetric synthesis, a frontier yet to be fully explored. Additionally, the review also explores the potential of alternative, cost-effective materials like aluminum and magnesium for use in plasmonic systems. Furthermore, key challenges in plasmonics, such as reducing energy losses and improving scalability have been discussed. Plasmon ; Nanotechnology ; Materials science ; Surface plasmon resonance ; Nanostructure ; Optoelectronics ; Nanoparticle Gold and Silver Nanoparticles Synthesis and Applications ; Plasmonic and Surface Plasmon Research ; Photonic Crystals and Applications