jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Rémy Pawlak | Khalid N. Anindya | Outhmane Chahib | Jung‐Ching Liu | P. Hiret | L. Marot | Vincent Luzet | Frank Palmino | Frédéric Chérioux | Alain Rochefort | Ernst Meyer
Source: ACS Nano (article, 2025-01-10)
Field: Materials Science — Materials Chemistry

On-Surface Synthesis and Characterization of Radical Spins in Kagome Graphene Flat bands in Kagome graphene might host strong electron correlations and frustrated magnetism upon electronic doping. However, the porous nature of Kagome graphene opens a semiconducting gap due to quantum confinement, preventing its fine-tuning by electrostatic gates. Here we induce zero-energy states into a semiconducting Kagome graphene by inserting π-radicals at selected locations. We utilize the on-surface reaction of tribromotrioxoazatriangulene molecules to synthesize carbonyl-functionalized Kagome graphene on Au(111), thereafter modified <i>in situ</i> by exposure to atomic hydrogen. Atomic force microscopy and tunneling spectroscopy unveil the stepwise chemical transformation of the carbonyl groups into radicals, which creates local magnetic defects of spin state <i>S</i> = 1/2 and zero-energy states as confirmed by density functional theory. The ability to imprint local magnetic moments opens up prospects to study the interplay between topology, magnetism, and electron correlation in Kagome graphene. Graphene ; Magnetism ; Materials science ; Density functional theory ; Chemical physics ; Scanning tunneling microscope ; Spins ; Graphene nanoribbons ; Nanotechnology ; Electron ; Condensed matter physics ; Chemistry ; Computational chemistry ; Physics ; Quantum mechanics Graphene research and applications ; Topological Materials and Phenomena ; Advanced Condensed Matter Physics
Authors: Muhammad Bilal | Sulalit Bandyopadhyay
Source: Discover Nano (article, 2025-02-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Controlled growth of citrate-stabilized gold nanoparticles using a semi-continuous seed-mediated route Gold nanoparticles (Au NPs) hold unique optical and electronic properties due to their surface plasmon resonance. The size, shape, and surface chemistry of Au NPs are key parameters for altering their optical properties to fine-tune Au NPs for specific applications. We report a size-controlled synthesis of citrate-stabilized Au NPs via the Turkevich method, followed by their growth through a semi-continuous seed-mediated approach. Au NPs of up to 53 nm were synthesized by controlled addition of chloroauric acid (HAuCl₄) to pre-prepared citrate stabilized Au NP seeds. Our approach leverages the residual sodium citrate from the Turkevich reaction to reduce HAuCl₄ during seed-mediated growth of Au NPs. Notably, we observed that a boiling temperature, as opposed to 70 °C, provided better control over nanoparticle size and morphology. Our method addresses several challenges associated with seed-mediated growth by yielding relatively spherical, monodisperse, citrate-stabilized, water-dispersible Au NPs in a single growth step, without sacrificing yield. Furthermore, a kinetics study revealed a continuous increase in particle diameter over the reaction period, hinting at the continuous and uniform growth of Au NPs. Colloidal gold ; Nanoparticle ; Chemical engineering ; Materials science ; Chemistry ; Nuclear chemistry ; Nanotechnology ; Engineering Gold and Silver Nanoparticles Synthesis and Applications ; Molecular Communication and Nanonetworks ; Quantum Dots Synthesis And Properties
Authors: Juan Tian | Zhenwei Zhou | Xiangyu Miao | Shoubin Wang | Yongqiang Ming | Yijing Nie | Yuanchi Ma | Zhibo Li
Source: Advanced Functional Materials (article, 2025-07-16)
Field: Materials Science — Polymers and Plastics

Supertough, Resilient, and Healable Thermoplastic Poly(Urethane Urea) Elastomers by Dense Packing of Hydrogen‐Bonding Arrays Abstract The structure and density of hydrogen bonds in thermoplastic poly(urethane urea) (TPU) elastomers play a pivotal role in determining their microscopic structures and macroscopic thermomechanical performances. In this context, the syntheses and characterizations of a class of poly(caprolactone) (PCL)‐based TPU elastomers containing acylsemicarbazide (ASCZ) groups that afford densely packed hydrogen‐bonding arrays are reported. Benefiting from the strong intermolecular interactions, these TPU elastomers display ultimate engineering stress and elongation up to 70 MPa and 1100%, respectively, and therefore considerable toughness of 260 MJ m −3 . Meanwhile, crystallization of PCL segments in the elastomers is strongly suppressed by the hydrogen‐bonding arrays, giving rise to their good elasticity at strains as high as 1000%, superior to nearly all polyester‐based TPU analogs. With identical hard segment content, fine‐tuning of the hydrogen‐bonding density via the chain extender chemistry leads to divergent upper working temperatures and healing rates, despite uniformly superb ultimate strength, elongation at break, toughness, and resilience at room temperature. Materials science ; Thermoplastic elastomer ; Elastomer ; Composite material ; Polymer science ; Thermoplastic ; Hydrogen bond ; Polymer ; Polymer chemistry ; Copolymer ; Organic chemistry ; Molecule Polymer composites and self-healing ; Synthesis and properties of polymers ; Silicone and Siloxane Chemistry
Authors: Nuttapat Thiensuwan | Atikhun Chotirattanachote | Supphathee Chaowamalee | Thawanrat Kobkeatthawin | Toshiyuki Yokoi | Chawalit Ngamcharussrivichai
Source: Chemical Engineering Journal (article, 2025-03-20)
Field: Materials Science — Materials Chemistry

Multifunctional ruthenium/exfoliated layered metal oxide–graphene oxide nanocomposites for homogeneous base-free oxidation of 5-hydroxymethylfurfural Graphene ; Oxide ; Nanocomposite ; Homogeneous ; Ruthenium oxide ; Materials science ; Base metal ; Ruthenium ; Metal ; Base (topology) ; Chemical engineering ; Nanotechnology ; Chemistry ; Metallurgy ; Catalysis ; Organic chemistry Mesoporous Materials and Catalysis ; Nanomaterials for catalytic reactions ; Chemical Synthesis and Reactions
Authors: Arpit Sharma | Wjdan Jogadi | Man Kshetri | Suha Alqarni | Md Al Amin | May Cheline | Bishal Pokhrel | Shirin Akter | Zexin Lin | Jimin Park | Jordan Solmen | Jordan Caraway | Megan Brattley | Hao Shen | Yao‐Rong Zheng
Source: Journal of the American Chemical Society (article, 2025-06-03)
Field: Chemistry — Organic Chemistry

Click-Controlled Photo-Uncaging: Click-Assembly of Platinum-Based Photoactive Protecting Groups for Light-Triggered Bioactive Molecule Release We introduce click-controlled photouncaging, an innovative approach that synergizes click ligation with photocleavage to achieve biorthogonal, light-triggered bioactive molecule release across visible to near-infrared (NIR) wavelengths. Central to this approach is a novel amine protection and deprotection strategy utilizing Pt(IV) complexes. In this strategy, an azide-bearing clickable Pt(IV) moiety acts as a protecting group for amine-containing molecules (the ″cargo″) via a carbamate linkage. Subsequently, click ligation with a DBCO-tagged fluorescent antenna positions the antenna near the Pt(IV) core, transforming it into a photoactive protecting group (PPG) that can be fine-tuned to respond to visible or NIR light. When exposed to light, the antenna drives the photoreduction of the Pt(IV) linker, triggering deprotection and subsequently releasing the cargo molecule. To validate this approach, three Pt(IV) complexes were synthesized featuring amine-containing fluorescent reporters (coumarin, BODIPY) and a therapeutic molecule (Exatecan), and their functionality was validated in solution and cell cultures. Overall, this work introduces a novel, user-friendly, and versatile chemical tool for bioorthogonal, light-controlled activation of molecules in complex biological environments. Chemistry ; Click chemistry ; Platinum ; Photochemistry ; Molecule ; Combinatorial chemistry ; Nanotechnology ; Organic chemistry ; Catalysis Click Chemistry and Applications ; Photochromic and Fluorescence Chemistry ; Advanced biosensing and bioanalysis techniques
Authors: Wei Zhang | Jie Kong | Wenting Liu | Rui Zhao | Jia‐Chen Zhang | Huiyong Deng | Zhen Lei | Quan‐Ming Wang | Yi Luo | Meng Zhou
Source: Angewandte Chemie International Edition (article, 2025-09-25)
Field: Materials Science — Materials Chemistry

Atomic‐Level Engineering of Au–Ag Nanoclusters Enables Divergent Triplet Emission Triplet-state-based luminescence holds great promise for next-generation optoelectronic materials, yet its mechanistic modulation through structural control remains a fundamental challenge for nanomaterials. Here, we present a comparative study of two atomically precise nanoclusters, Au<sub>6</sub>Ag<sub>2</sub> and Au<sub>6</sub>Ag<sub>4</sub>, which feature an identical Au<sub>6</sub> core but differ subtly in Ag atom count and ligand coordination. Despite their structural similarity and triplet dominated emission origin, the results herein reveal that Au<sub>6</sub>Ag<sub>2</sub> exhibits phosphorescence, whereas Au<sub>6</sub>Ag<sub>4</sub> demonstrates dual emission involving both phosphorescence and thermally activated delayed fluorescence (TADF). The contrasting behaviors arise from fine-tuning the silver contents and organic ligands, which alters photoluminescence nature without modifying the metal core. This work highlights a structure-driven approach to regulating triplet-state photoluminescence in metal nanoclusters and offers a blueprint for designing next-generation triplet-emissive materials. Nanoclusters ; Photoluminescence ; Phosphorescence ; Luminescence ; Fluorescence ; Ligand (biochemistry) ; Atom (system on chip) Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Carbon and Quantum Dots Applications
Authors: Rohit Kumar | Rajni Kant Thakur | Sahil Kumar | R. Shwetharani | Bhari Mallanna Nagaraja | Sunil Mehla | Itika Kainthla
Source: Progress in Solid State Chemistry (review, 2025-05-31)
Field: Materials Science — Materials Chemistry

Quaternary transition metal dichalcogenides (M1-xNxX2(1-y)Y2y) for hydrogen evolution: A review on atomic structure, 3D engineering, and electrocatalytic performance Quaternary ; Transition metal ; Materials science ; Metal ; Hydrogen ; Nanotechnology ; Chemistry ; Metallurgy ; Catalysis ; Geology ; Organic chemistry 2D Materials and Applications ; Chalcogenide Semiconductor Thin Films ; Advanced Photocatalysis Techniques
Authors: Yingying Wu | Guangyan Xu | Zihan Yan | Xianlong Zhou | Feng‐Lei Yang | Jing‐Wei Dai | Shu‐Qi Wu | Zhao‐Yang Li | Osamu Sato
Source: Journal of the American Chemical Society (article, 2025-03-17)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Altered Mode of Structural Changes in Solid Solutions Leading to Dual Modulation: Spin Transition Temperatures and Steps The development of high-density information storage materials requires precise control of electron spin states. Multistep spin-crossover (SCO) materials with multiple stable spin states are prime candidates for this purpose. However, accurate control of the dynamic SCO behavior, including the dual dynamic modulation of the spin transition temperature (<i>T</i><sub>c</sub>) and transition steps, has been a significant hurdle. In this study, we propose a new two-dimensional SCO solid solution system, <b>[Fe</b><sup><b>III</b></sup><b>(H</b><sub><b>0.5</b></sub><b>L</b><sup><b>I</b></sup><b>)<sub>2-2</sub></b><i><sub>x</sub></i><b>(H</b><sub><b>0.5</b></sub><b>L</b><sup><b>Cl</b></sup><b>)</b><sub><b>2</b><i>x</i></sub><b>]·H</b><sub><b>2</b></sub><b>O</b>, where <b>H</b><sub><b>0.5</b></sub><b>L</b><i><sup>X</sup></i> (<b>L</b><i><sup>X</sup></i> for short) denotes 5-<i>X</i>-2-hydroxybenzylidene-hydrazinecarbothioamide, with <i>X</i> being I or Cl and <b><i>x</i></b> ranging from 0 to 1. The proposed system exhibits a unique nonmonotonic variation in <i>T</i><sub>c</sub> with <b><i>x</i></b>, obtaining a minimum at <b><i>x</i></b> = 0.7, allowing fine-tuning of <i>T</i><sub>c</sub> across a 66 K range and control over transition steps from two steps to one step, accomplishing dual modulation. Single-crystal diffraction analysis and periodic density functional theory (DFT) calculations demonstrate that the doped ligand L<sup>Cl</sup> modulates the Fe<sup>III</sup>N<sub>2</sub>O<sub>2</sub>S<sub>2</sub> ligand field with increasing doped L<sup>Cl</sup> ligands during the HS → LS transition in solid solutions, enabling dual dynamic modulation of the <i>T</i><sub>c</sub> and the number of transition steps from two steps to one step through dynamic variation in the structural contraction modes (from <i>b</i>- and <i>c</i>-axis contraction to <i>a</i>-axis contraction). This study motivates the synthetic control of dynamic SCO solid solutions through the altered mode of structural contraction as a complementary route to adjust their SCO behavior. Chemistry ; Modulation (music) ; Dual mode ; Dual (grammatical number) ; Spin (aerodynamics) ; Mode (computer interface) ; Spin transition ; Transition (genetics) ; Chemical physics ; Crystallography ; Thermodynamics ; Aerospace engineering ; Biochemistry Magnetism in coordination complexes ; Advanced NMR Techniques and Applications ; Lanthanide and Transition Metal Complexes
Authors: Niki Mavragani | Alexandros A. Kitos | Gayfullina Rezeda | Akseli Mansikkamäki | Jani O. Moilanen | Muralee Murugesu
Source: Inorganic Chemistry Frontiers (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Exploring the substitution effect on the magnetic coupling of tetrazinyl-bridged Ln <sub>2</sub> single-molecule magnets The effect of substited 3,6-R2-1,2,4,5-tetrazines (R = Me, MeO, H or Cl) is probed in radical-bridged Ln2 metallocenes. Strong magnetic Ln–rad coupling is observed, which leads to slow magnetic relaxation and open hysteresis loops for the Dy analogs. Substitution (logic) ; Magnet ; Coupling (piping) ; Molecule ; Crystallography ; Materials science ; Inductive coupling ; Chemistry ; Physics ; Organic chemistry ; Computer science ; Composite material Magnetism in coordination complexes ; Organic and Molecular Conductors Research ; Quantum and electron transport phenomena
Authors: Kesava Kumar Vudatha | Raja Sundararajan | Lakshmi Vineela Nalla | Siva Nageswara Rao Gajula
Source: Journal of Separation Science (review, 2025-04-01)
Field: Materials Science — Materials Chemistry

Next‐Generation Chromatography: Covalent Organic Frameworks in Biomedical Analysis Chromatography, a cornerstone technique in analytical chemistry, continues to evolve with the emergence of novel stationary phases. Covalent organic frameworks (COFs) have garnered significant attention due to their unique properties and versatile applications. COFs, composed of covalently linked organic building blocks, exhibit high surface area, tunable porosity, and exceptional chemical stability. These attributes make them next-generation chromatographic techniques that leverage novel materials and methodologies to achieve significant improvements in separation efficiency, selectivity, speed, and/or sensitivity compared to traditional methods. COF stationary phases demonstrate remarkable selectivity for small molecules, peptides, proteins, and nucleic acids. Their use in drug discovery, metabolomics, proteomics, and clinical diagnostics is gaining momentum. In this review, we explored their synthesis strategies, emphasizing the design principles that enable tailoring of their physicochemical properties. Further, we discuss the immobilization of COFs onto solid supports, ensuring their compatibility with existing chromatographic systems. Furthermore, we highlighted case studies where COFs outperformed traditional stationary phases, improving sensitivity and resolution. We delve into the integration of COFs as stationary phases in biomedical analysis and explore various strategies for utilizing COFs as stationary phases in chromatographic separations. Covalent bond ; Chemistry ; Stationary phase ; Nanotechnology ; Leverage (statistics) ; Biochemical engineering ; Combinatorial chemistry ; Chromatography ; Computer science ; Materials science ; Organic chemistry ; Artificial intelligence Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Paula Fanlo | Osman Konuray | Olaia Ochoteco | Marta Ximenis | Alaitz Rekondo | Hans J. Grande | Xavier Fernández‐Francos | Haritz Sardón | Alaitz Ruiz de Luzuriaga
Source: Polymer Chemistry (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Dynamic by design: unlocking full relaxation in disulfide epoxy networks Disulfide-based epoxy vitrimers enable full relaxation without excess amine. Introducing up to 32% non-dynamic epoxy enhances material properties while maintaining dynamic features like repairability, recyclability, and reprocessability. Epoxy ; Disulfide bond ; Relaxation (psychology) ; Chemistry ; Computer science ; Organic chemistry ; Biochemistry ; Internal medicine ; Medicine Conducting polymers and applications
Authors: A.W. Zaibudeen
Source: Journal of Nanotechnology and Nanomaterials (article, 2025-01-01)
Field: Materials Science — Biomaterials

Recent Advances in Different Nanoprecipitation Methods for Efficient Drug Loading and Controlled Release Nanoprecipitation has emerged as a versatile and efficient technique for formulating nanoparticles, providing significant advantages in drug delivery applications. Nanomaterials, particularly polymer nanoparticles (PNPs), play a crucial role in encapsulating and controlling the release of drug molecules, serving as an alternative to traditional drug delivery methods. Various types and morphologies of PNPs have been synthesized using different nanoprecipitation methods that are being used as drug carriers, demonstrating superior performance in targeted drug delivery with controlled release compared to conventional methods. This review highlights recent advances in preparing diverse PNPs through different nanoprecipitation techniques, emphasizing improvements in drug loading capacity and controlled release profiles under various physicochemical conditions. Initially, the general principles of nanoprecipitation for synthesizing nanoparticles are discussed. This is followed by an overview of the different methods used in nanoprecipitation to synthesize PNPs of varying sizes and morphologies. Numerous examples have been given to understand the applications of PNPs synthesized via nanoprecipitation for loading and releasing various types of drugs. Additionally, a comparison of the effectiveness of PNPs synthesized through different nanoprecipitation methods is provided. This article outlines the latest methodologies in nanoprecipitation for synthesizing various PNPs and suggests future directions for translating nanoprecipitation technology into clinical applications. Drug ; Materials science ; Chemistry ; Nanotechnology ; Computer science ; Pharmacology ; Medicine Nanoparticle-Based Drug Delivery ; Drug Solubulity and Delivery Systems ; Advanced Drug Delivery Systems
Authors: Mosim Ansari | Aamir Hanif | Mahmoud M. Abdelnaby | Aasif Helal | Mohd Yusuf Khan
Source: ACS Omega (article, 2025-01-15)
Field: Materials Science — Materials Chemistry

Hydroxyl-Incorporated Microporous Polymer Comprising 3D Triptycene for Selective Capture of CO<sub>2</sub> over N<sub>2</sub> and CH<sub>4</sub> The rising CO<sub>2</sub> concentration in the atmosphere contributes significantly to global warming, necessitating effective carbon capture techniques. Amine-based solvents are widely employed for the chemisorption of CO<sub>2</sub>, although they have drawbacks, such as degradation, corrosion, and high regeneration energy requirements. Physical adsorption of CO<sub>2</sub> utilizing microporous adsorbents is a viable alternative that offers excellent efficiency and selectivity for CO<sub>2</sub> capture. This work presents the facile one-pot synthesis of a 3D-triptycene-containing hyper-cross-linked microporous polymer (TBPP-OH) possessing hydroxyl groups. The presence of triptycene units in the TBPP-OH polymeric structure gives several desirable features, such as inherent microporosity, larger surface area, and improved thermal stability. TBPP-OH showed considerable microporosity (%<i>V</i> <sub>mic</sub> = 70%), a larger BET-specific surface area (SA<sub>BET</sub>) of 838 m<sup>2</sup> g<sup>-1</sup>, and good thermal stability (<i>T</i> <sub>d</sub> = 372 °C and char yield > 60%) which makes it a promising adsorbent for CO<sub>2</sub> capture. A strong affinity for CO<sub>2</sub> was shown by TBPP-OH with <i>Q</i> <sub>st</sub> of 32.9 kJ/mol demonstrating a superior CO<sub>2</sub> adsorption capacity of 2.77 mmol/g at 273 K and 1 bar pressure where the volume of the micropore plays a significant role. The selectivity values of CO<sub>2</sub> over N<sub>2</sub> and CH<sub>4</sub> for the polymer TBPP-OH were also estimated to be reasonably high indicating good potential for CO<sub>2</sub> separation in different applications. The mechanism of CO<sub>2</sub> adsorption was investigated by using Langmuir and dual-site Langmuir models. Microporous material ; Triptycene ; Chemistry ; Adsorption ; Thermal stability ; Langmuir ; Polymer ; Selectivity ; Chemical engineering ; Langmuir adsorption model ; Organic chemistry ; Catalysis Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Carbon Dioxide Capture Technologies
Authors: Abd Raouf Jdidi | Wided Nouira | Ahmed Selmi | Nidhal Drissi | Mohamed Aissa | Sobhi Hcini | M. Gassoumi
Source: Crystals (article, 2025-05-13)
Field: Materials Science — Materials Chemistry

Impact of Calcination Temperature on the Properties and Photocatalytic Efficiency of Cd0.6Mg0.2Cu0.2Fe2O4 Spinel Ferrites Synthesized via the Sol–Gel Method This study investigates the influence of calcination temperature on the structural, morphological, and optical properties of Cd0.6Mg0.2Cu0.2Fe2O4 spinel ferrites synthesized via the sol–gel method. By varying the calcination temperatures (950 °C and 1050 °C), we analyze changes in crystallinity, cation distribution, and energy band gap using X-ray diffraction (XRD), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and UV–visible spectroscopy. The results indicate that increasing calcination temperature enhances crystallinity and increases particle size while reducing the optical band gap energy. XPS analysis confirms shifts in cation site occupancy and an increase in oxygen vacancies at higher temperatures, which are crucial for charge carrier dynamics. Photocatalytic performance, evaluated through methylene blue degradation under UV light, improves with increasing calcination temperature due to enhanced charge separation and reduced recombination. These findings underscore the critical role of calcination temperature in optimizing spinel ferrites for environmental applications, particularly in wastewater treatment. Calcination ; Spinel ; Photocatalysis ; Sol-gel ; Materials science ; Chemical engineering ; Metallurgy ; Chemistry ; Nanotechnology ; Catalysis ; Organic chemistry Magnetic Properties and Synthesis of Ferrites ; Pigment Synthesis and Properties ; Advancements in Battery Materials