jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Rao Uzair Ahmad | Nasir Javed
Source: ArXiv.org (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

PEG- and PVP-assisted wet-chemical synthesis of ZnS quantum dots via hydrothermal and co-precipitation methods for route-dependent structural and bandgap tuning Zinc sulphide (ZnS) is a non-toxic, wide-bandgap II-VI semiconductor with well-established optoelectronic properties. This work presents a systematic, concentration-dependent comparison of PEG and PVP across two scalable aqueous routes, linking ligand chemistry to crystallite size and bandgap shifts. ZnS quantum dots (QDs) were synthesized using polymer-assisted wet-chemical methods, hydrothermal processing and room-temperature co-precipitation. Polyvinylpyrrolidone (PVP) and polyethylene glycol (PEG) were used as capping agents to examine their influence on particle growth, dispersion, and optical behaviour. Room-temperature co-precipitation produced QDs with crystallite sizes as small as 2.03 nm, whereas hydrothermal synthesis at elevated temperature yielded larger crystallites exceeding 6 nm. X-ray diffraction confirmed cubic zinc-blende ZnS in all samples, with peak broadening and small lattice-parameter variations consistent with nanoscale dimensions. UV-visible absorption spectra showed systematic shifts of the absorption edge, with optical bandgap values ranging from 3.60 to 3.80 eV, consistent with size-dependent quantum confinement. Fourier-transform infrared spectroscopy and dynamic light scattering verified effective polymer capping and particle size distribution, with PVP providing stronger growth suppression and improved dispersion compared to PEG. Overall, the results highlight how synthesis route and polymer-nanocrystal interactions govern the structural and optical properties of ZnS QDs. The demonstrated bandgap tuning and improved dispersion with PVP are relevant for UV optoelectronic coatings and QD-based layers used in photodetectors and LED interfaces. Crystallite ; Hydrothermal synthesis ; Quantum dot ; Band gap ; Hydrothermal circulation ; Polyvinylpyrrolidone ; Nanoparticle ; Polyethylene glycol ; Dynamic light scattering ; Zinc Quantum Dots Synthesis And Properties ; Carbon and Quantum Dots Applications ; Polymer Nanocomposite Synthesis and Irradiation
Authors: Rareș Bortnic | Tamás Szilárd | Ádám Szatmári | Rǎzvan Hirian | Rareş Ştiufiuc | Alin-Iulian Moldovan | Roxana Dudric | Romulus Tetean
Source: Applied Sciences (article, 2026-04-04)
Field: Materials Science — Materials Chemistry

Synthesis and Characterization of Size- and Shape-Controlled CoFe2O4 Nanoparticles via Polyvinylpyrrolidone (PVP)-Assisted Hydrothermal Synthesis CoFe2O4 nanoparticles were prepared using a hydrothermal method. All the studied samples were single-phase and were crystallized in a cubic Fd-3m structure. XRD and TEM analyses revealed that the particles had average sizes between 5 and 22 nm. It has been shown that, by using the PVP of different molecular masses, trends of growth and crystallization can be established, obtaining elongated 40 k, cubical 58 k, and rhomboidal 360 kg/mol nanoparticles. While using Ethylene glycol as solvent, the formation of separated “raspberry”-like nanostructures was revealed. The saturation magnetizations are somewhat smaller compared with crystalline CoFe2O4 saturation magnetization, but are high enough to have possible biomedical applications. FC and ZFC measurements show that the blocking temperature was around 100 K for the CF5 sample and around 20 K for the FC6 sample. The calculated anisotropy constants were between 7 and 10 kJ/m3, being close to previously reported values. The calculated blocking temperatures are in good agreement with experimental ones. The Mr/Ms ratio at room temperature was lower than 0.5, confirming the predominance of magnetostatic interactions. This paper serves as a good starting point for researchers seeking to synthesize a CoFe2O4 system with a desired size and growth tendency at the nanometer scale. Polyvinylpyrrolidone ; Crystallization ; Nanoparticle ; Hydrothermal synthesis ; Hydrothermal circulation ; Ethylene glycol ; Saturation (graph theory) ; Nanometre Magnetic Properties and Synthesis of Ferrites ; Nanoparticle-Based Drug Delivery ; Electromagnetic wave absorption materials
Authors: Max Schmallegger | Luis Herbst | Renata Raptova | Mathias Wiech | Dana Dvoranová | Dmytro Neshchadin | Michal Zalibera
Source: Catalysis Science & Technology (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Polystyrene-bound thioxanthone – a heterogeneous photocatalyst for alcohol oxidation <i>via</i> singlet oxygen production We have synthesized a photocatalyst in which thioxanthone is covalently attached on a polystyrene (<b>TX@PS</b>) polymer and investigated its activity in the photocatalytic oxidation of alcohols to aldehydes. Upon LED irradiation (405 nm), benzyl alcohol is converted to benzaldehyde at a yield of 73% and hydroxymethylfurfural forms formic acid at 99%. Employing the photocatalyst for consecutive runs (up to three) results in product yields of 51% for the oxidation of benzaldehyde and 98% for hydroxymethylfurfural. EPR provides evidence that the oxidation proceeds <i>via</i> a singlet oxygen route. This proof-of-concept study shows that <b>TX@PS</b> can straightforwardly be prepared. Using this catalyst provides yields reflecting comparable systems and allows a convenient isolation of the products. Benzaldehyde ; Photocatalysis ; Thioxanthone ; Singlet oxygen ; Benzyl alcohol ; Catalysis ; Formic acid ; Yield (engineering) ; Alcohol Oxidative Organic Chemistry Reactions ; Photodynamic Therapy Research Studies ; TiO2 Photocatalysis and Solar Cells
Authors: Austin Dick | Xiao Tong | Kim Kisslinger | Carlos E. Colosqui | Gregory S. Doerk
Source: ArXiv.org (article, 2026-01-05)
Field: Chemistry — Physical and Theoretical Chemistry

Polymer-Iron Oxide Hybrid Films for Controlling Electrokinetic Properties Electrokinetic phenomena at polymer-water interfaces are central to technologies for water purification, ion separations, and energy conversion, yet the ability to systematically control polymer surface charge and associated electrokinetic processes remains limited. Here, we demonstrate a simple liquid-phase infiltration (LPI) method to synthesize polymer-metal oxide hybrid films with controllable interfacial properties. Hydroxy-terminated poly(2-vinylpyridine) (P2VP-OH) brushes grafted to silicon substrates were infiltrated with iron nitrate from ethanolic solution, followed by low-temperature thermal treatment to convert the infiltrated precursor into iron oxide. Spectroscopic ellipsometry, X-ray photoelectron spectroscopy, and thermogravimetric analysis confirmed oxide incorporation and hybrid film formation without polymer degradation. Electrokinetic flow characterization reveals that the hybrid films acquire the electrokinetic properties of the infiltrated oxide, with concentration-dependent streaming potentials and surface conductivities closely matching those of pure iron oxide films. These results establish metal oxide infiltration as a scalable and low-cost strategy for controlling interfacial charge in polymer surfaces. The approach introduces new materials and design parameters for tailoring ion selectivity, transport, and energy conversion, with broad implications for the development of advanced membranes, electrokinetic harvesting devices, and polymer-supported oxide electrodes. Electrokinetic phenomena ; Oxide ; Streaming current ; Surface charge ; Polydimethylsiloxane ; X-ray photoelectron spectroscopy ; Polymer ; Thermogravimetric analysis Electrostatics and Colloid Interactions ; Nanopore and Nanochannel Transport Studies ; Membrane-based Ion Separation Techniques
Authors: Shutong Huang | Junxian Yang | Shuxin Wang
Source: Polyoxometalates (article, 2026-03-01)
Field: Materials Science — Materials Chemistry

Photo- and thermo-driven catalysis with atomically precise gold-based nanoclusters in organic synthesis Atomically precise gold-based nanoclusters have attracted increasing attention in catalysis owing to their well-defined atomic structures, discretely tunable electronic energy levels, and highly designable surface chemical environments. Serving as an important bridge between molecular complexes and metal nanoparticles, gold nanoclusters not only exhibit outstanding catalytic activity and selectivity, but also provide ideal model systems for elucidating structure-property-reactivity relationships at the atomic level. In recent years, advances in synthetic and characterization techniques have led to remarkable progress in the application of gold nanoclusters in both photocatalytic and thermal catalytic reactions, encompassing selective oxidation and reduction, C−C and C−heteroatom coupling, multicomponent transformations, and asymmetric catalysis. This review systematically summarizes recent developments in gold nanocluster catalysis across different reaction classes, with particular emphasis on the roles of heterometal doping, ligand engineering, and metal-metal cooperative effects in modulating catalytic behavior. Furthermore, fundamental design principles for achieving reaction pathway and selectivity control at the atomic scale are distilled, aiming to provide guidance for the rational development of efficient and sustainable catalytic systems. Nanoclusters ; Catalysis ; Characterization (materials science) ; Organic synthesis ; Ligand (biochemistry) ; Rational design Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Asymmetric Hydrogenation and Catalysis
Authors: Austin Dick | Xiao Tong | Kim Kisslinger | Carlos E. Colosqui | Gregory S. Doerk
Source: Applied Surface Science Advances (article, 2026-03-13)
Field: Chemistry — Physical and Theoretical Chemistry

Polymer-iron oxide hybrid films for controlling electrokinetic properties Electrokinetic phenomena at polymer-water interfaces are central to technologies for water purification, ion separations, and energy conversion, yet the ability to systematically control polymer surface charge and associated electrokinetic processes remains limited. Here, we demonstrate a simple liquid-phase infiltration (LPI) method to synthesize polymer–metal oxide hybrid films with controllable interfacial properties. Hydroxy-terminated poly(2-vinylpyridine) (P2VP-OH) brushes grafted to silicon substrates were infiltrated with iron nitrate from ethanolic solution, followed by low-temperature thermal treatment to convert the infiltrated precursor into iron oxide. Spectroscopic ellipsometry, X-ray photoelectron spectroscopy, and thermogravimetric analysis confirmed oxide incorporation and hybrid film formation without polymer degradation. Electrokinetic measurements reveal that the hybrid films acquire the electrokinetic properties of the infiltrated oxide, with concentration-dependent streaming potentials and surface conductivities closely matching those of pure iron oxide films. These results establish metal oxide infiltration as a scalable and low-cost strategy for controlling interfacial charge in polymer surfaces. The approach introduces new materials and design parameters for tailoring ion selectivity, transport, and energy conversion, with broad implications for the development of advanced membranes, electrokinetic harvesting devices, and polymer-supported oxide electrodes. Electrokinetic phenomena ; Oxide ; Polydimethylsiloxane ; Streaming current ; Surface charge ; X-ray photoelectron spectroscopy ; Polymer Electrostatics and Colloid Interactions ; Membrane-based Ion Separation Techniques ; Nanopore and Nanochannel Transport Studies
Authors: Matteo Bevilacqua | Mattia Reato | Federico Cilento | Claudia Graiff | Sabrina Antonello | Luca Schio | Alessandro Aliprandi | Cristina Tubaro | Lorenzo Franco | Martina Dell'Angela | Dominik Munz | Marco Baron
Source: Angewandte Chemie International Edition (article, 2026-01-28)
Field: Chemistry — Organic Chemistry

Hidden Diradical: Conformational Switch for Solvatochromic NIR Emission With Unity Quantum Yield in Thiele's Hydrocarbon We present that halogen-substituted and air-stable Thiele-type diradicaloids with folded (1) and planar (2, 3) structures can be obtained by switching the positions of fluorine and chlorine substituents. The strongly distorted p-quinodimethane 1 demonstrates emission in the UV-visible/near-infrared (UV-vis/NIR) range with a photoluminescence quantum yield (PLQY) of 100%, an exceedingly large Stokes shift of up to 2.0 eV, an excited state lifetime of 81 ns, and pronounced solvatochromic emission (from 1.81 eV in n-pentane to approximately 2.0 eV in dichloromethane). Dual emission in pentane, transient absorption spectroscopy, quantum chemical calculations, as well as the comparison with compounds 2 and 3 reveal that the exceptional photophysical properties of closed-shell 1 are thanks to interconversion with its planar conformer 1<sup>flat</sup>. The key here is that the conformer 1<sup>flat</sup>, which is generated upon photoexcitation, excels with a pronounced singlet diradical character (y<sub>0</sub> = 0.78) and a dark doubly excited (DE) S1 state. Our findings delineate how to leverage conformational equilibria to design bright luminescent materials based on hidden and thus air-stable organic diradicals. Solvatochromism ; Quantum yield ; Excited state ; Conformational isomerism ; Photoluminescence ; Diradical ; Luminescence ; Fluorescence ; Intersystem crossing Synthesis and Properties of Aromatic Compounds ; Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials
Authors: Tienan Jin | Sho AIDA | Takuma Sato | Masahiro Terada
Source: Organic Chemistry Frontiers (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Pd( <scp>ii</scp> )-catalyzed intramolecular diarylation of alkynes <i>via</i> dual C–H activation: modular access to azafulvalene-based bis(polycyclic) aromatic enes Structurally diverse azafulvalene-based bis(polycyclic) aromatic enes with precisely positioned nitrogen atoms were synthesized from N -aryl and 2-aryl biarylalkynyl indoles via Pd-catalyzed dual aromatic C–H activation. Intramolecular force ; Dual (grammatical number) ; Modular design ; Nitrogen ; Aromaticity Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions ; Synthesis and Reactivity of Heterocycles
Authors: Yixi Wu | Xinkuo Li | Chao Ruan | Ke Sun | Jianrong Qiu | Dezhi Tan
Source: Nature Communications (article, 2026-02-06)
Field: Materials Science — Materials Chemistry

Tough transparent glass ceramics for multi-mode programmable dynamic tunable persistent luminescence via phase engineering Realizing multi-mode programmable dynamic tunable persistent luminescence within a single solid is promising for multi-dimensional information storage and encryption applications. However, coupling luminescent centers with differentiated defect states remains a challenge. Here we report transparent glass ceramics that exhibit photo/thermally dynamic tunable afterglow. A lithium-ion doping-assisted phase separation principle is developed to control the precipitation of defective non-stoichiometric nanocrystals (Zn<sub>1.7</sub>SiO<sub>4</sub>: Li) in glass matrix, constructing a biphasic microenvironment with differentiated defect states. The persistent luminescence color can be manipulated by simultaneously engineering the distributions of Mn<sup>2+</sup> activators in the amorphous glass matrix and nanocrystals, and the mechanism is discussed. The developed transparent composites exhibit excellent hardness of up to 10 gigapascal and high thermal stability, which is applicable for harsh conditions. This work pioneers a strategy for modulating dynamic afterglow in a single solid and inspires more potential applications in muti-dimensional information storage and encryption. Luminescence ; Amorphous solid ; Nanocrystal ; Ceramic ; Coupling (piping) ; Phase (matter) ; Afterglow Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Glass properties and applications
Authors: Jian-Xin Yang | Xiao-Qian Wan | Ming-Yu Lu | Meng-Yao Lu | Meng-Yi Yang | Ying Y Zhao | Francisco Aznárez | Bo Li | Li‐Long Dang | Lu-Fang Ma
Source: Nature Communications (article, 2026-02-13)
Field: Chemistry — Organic Chemistry

Precise synthesis of π-conjugated [3]catenanes and Solomon link for photothermal responses via a dual-tuning strategy Mechanically interlocked supramolecular compounds have garnered widespread attention but it remains challenging to investigate topological adjustments in such complicated structures. Here, the authors use a bidentate pyridyl ligand featuring an extended π-conjugated plane for coordination-directed self-assembly to engineer three different kinds of sophisticated complexes, including three Linear [3]catenanes 1(OTf)<sub>12</sub>, 2(OTf)<sub>12</sub> and 3(OTf)<sub>12</sub>, two Borromean rings 4(OTf)<sub>12</sub> and 5(OTf)<sub>12</sub>, and one heterometallic Solomon link 6(OTf)<sub>8</sub> by modulating the Ru···Ru distances and conjugation planes of the building units or incorporating bridging silver ions. Subtle alterations in the building units can yield a diversity of topological architectures. Differences in the photothermal conversion properties of 1(OTf)<sub>12</sub> - 6(OTf)<sub>8</sub> are investigated. Various photothermal conversion efficiencies (23% - 81%) are obtained because of the synergistic effect of π···π stacking interactions and the free radical effect of building units. This finding enables the precise regulation of topology, thereby leading to a remarkable enhancement in photothermal conversion efficiency. Stacking ; Photothermal therapy ; Supramolecular chemistry ; Topology (electrical circuits) ; Yield (engineering) ; Photothermal effect ; Bridging (networking) Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Crystallography and molecular interactions
Authors: O.A. Tsyganovych | Olena Goncharuk | K. Terpiłowski | Vitalii Prokopenko | Ganna Yanovska | Katarzyna Szewczuk‐Karpisz
Source: Journal of Materials Science (article, 2026-02-11)
Field: Materials Science — Materials Chemistry

Cobalt nanoparticles as bioactive and sustainable species: development, environmental risk assessment, and future prospects Abstract Cobalt-containing nanoparticles (Co-NPs) have emerged as promising materials due to their unique physicochemical features, such as magnetic properties, catalytic efficiency, and well-developed surface area, which can be used in many fields. This review provides a comprehensive analysis of various synthesis methods for Co-NPs, highlighting their advantages, limitations, and applications. Particular emphasis was placed on the green synthesis approach as a sustainable and biocompatible alternative. The advanced characterization techniques were discussed for the evaluation of the structural and functional attributes of Co-NPs. The authors prioritized their potential in agriculture, biomedicine, and environmental remediation. It was concluded that despite the promising potential of Co-NPs, issues related to aggregation, toxicity, and scalability remain significant challenges. Future directions of research on Co-NPs should include optimizing synthesis techniques, increasing their environmental safety, as well as testing the application of nanoparticles in precision agriculture. Biocompatible material ; Characterization (materials science) ; Nanoparticle ; Sustainability ; Magnetic nanoparticles ; Sustainable development ; Cobalt Nanoparticles: synthesis and applications ; Magnesium Oxide Properties and Applications ; Nanomaterials for catalytic reactions
Authors: Rawaa Abd Alattar | Hayder Hamied Mihsen | Luma Majeed Ahmed
Source: Indonesian Journal of Chemistry (article, 2026-03-30)
Field: Materials Science — Materials Chemistry

Synthesis, Characterization, and Application of Magnetic Mesoporous MCM-41-Fe&lt;sub&gt;3&lt;/sub&gt;O&lt;sub&gt;4&lt;/sub&gt; Core-Shell Nanoparticles in the Removal of Eosin Yellow Dye Spinel ferrite (Fe3O4) nanoparticles have been produced as a black powder using precipitation and ultrasonic methods. The framework of MCM-41 was built using sodium silicate as the source of silica and CTAB as a template. Fe3O4 was immobilized on MCM-41 using the microwave method at 100 °C for 20 min, yielding MCM-41-Fe3O4 as a brown solid powder. This characterization was performed using FTIR, XRD, BET, TGA, FESEM-EDX, VSM, AFM, and TEM. The FTIR analysis demonstrated that the MCM-41-Fe3O4 had been properly synthesized. Two M−O bond peaks were discovered, one for the (Fe3+−O2−) octahedral site and one for the (Fe2+−O2−) tetrahedral sites. The XRD analyses revealed that MCM-41-Fe3O4 was synthesized with a highly ordered hexagonal building. The particles exhibited a spherical agglomeration and appeared smooth, as observed in TEM and FESEM examinations. The EDX analysis indicates that it was formed purely from Si, Fe, and O, with a weight percentage of 100%. BET analysis indicated that the sample had a relatively high surface area. In terms of a kinetic model, it was determined that a pseudo-second-order model provided the most suitable description. The thermodynamic study revealed that physical adsorption was exothermic and the adsorption process was nonspontaneous. Adsorption ; Fourier transform infrared spectroscopy ; Mesoporous material ; Hydrothermal circulation ; Octahedron ; Sodium silicate ; Nanoparticle ; Mesoporous silica ; Precipitation Magnetic Properties and Synthesis of Ferrites ; Mesoporous Materials and Catalysis ; Adsorption and biosorption for pollutant removal
Authors: Konrad Polecki | Joanna Paciorek-Sadowska | Marcin Borowicz | Marek Isbrandt | Iwona Zarzyka
Source: Materials (article, 2026-02-19)
Field: Materials Science — Polymers and Plastics

Polyurethane Recycling: Sustainable Development Perspectives and Innovative Approaches Polyurethanes are widely used polymeric materials; their crosslinked structure and compositional diversity significantly hinder effective end-of-life management. The review emphasizes polyurethane recycling technologies, with chemical aspects discussed only insofar as they directly affect recyclability. The influence of polyol and isocyanate structure on phase separation, network architecture and thermal stability is discussed in the context of degradation and depolymerization mechanisms. Mechanical, chemical, thermochemical and emerging biological recycling routes are compared, with emphasis on their respective advantages, limitations and technological maturity. Mechanical recycling remains the most accessible option on an industrial scale but typically leads to reduced mechanical and thermal-insulation performance. Chemical recycling-particularly glycolysis, hydrolysis and aminolysis-enables partial recovery of polyols suitable for reuse in new polyurethane formulations, albeit at the cost of higher energy demand and increased process complexity. The environmental impact of polyurethane recycling is considered in terms of energy consumption, greenhouse-gas emissions, waste-reduction potential and alignment with circular-economy principles. Emerging biological and hybrid recycling strategies are highlighted as promising low-temperature alternatives with potential environmental benefits, despite their current low technological readiness. Key structural and technological barriers to efficient polyurethane recycling are identified, and future research directions toward improved sustainability and resource efficiency are outlined. Polyurethane ; Context (archaeology) ; Reuse ; Sustainability ; Isocyanate ; Polyol ; Depolymerization ; Technological change Polymer composites and self-healing ; Carbon dioxide utilization in catalysis ; Chemistry and Chemical Engineering