jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Elizabeth Ogbe | Yufei Ma | Yizhou Wang | Gregory A. Solan | Qiuyue Zhang | TongLing Liang | Wen‐Hua Sun
Source: Journal of Applied Polymer Science (article, 2025-12-27)
Field: Chemistry — Organic Chemistry

Tuning High Temperature Performance Through Targeted Halide Substitution in a Bis(Imino)Pyridine‐Iron Ethylene Polymerization Catalyst ABSTRACT Central to the function of an effective late transition metal ethylene polymerization catalyst is the interplay between electronic and steric factors in the ligand manifold. In this study, a family of meta ‐chloro‐substituted unsymmetrical bis(arylimino)pyridines, 2‐[CMe= N {4,6‐(CH( p ‐FPh)) 2 –3‐Cl‐2‐MePh}]‐6‐(CMe=NAr)C 5 H 3 N (Ar = 2,6‐Me 2 C 6 H 3 L1 , 2,6‐Et 2 C 6 H 3 L2 , 2,6‐ i Pr 2 C 6 H 3 L3 , 2,4,6‐Me 3 C 6 H 2 L4 , 2,6‐Et 2 ‐4‐MeC 6 H 2 L5 ), are employed as N,N,N ‐chelating ligand supports for their corresponding iron(II) chloride complexes, Fe1 – Fe5 . Besides their spectroscopic and analytical characterization, Fe5 and an oxo‐derivative of Fe3 , Fe3′ , have been the subject of single crystal XRD studies. Following activation with MAO, all five iron precatalysts exhibited exceptionally high activity for ethylene polymerization with appreciable lifetimes, with Fe1 the standout performer achieving a level of 18.6 × 10 6 g mol −1 h −1 at 80°C after 30 min and 53.9 × 10 6 g mol −1 h −1 over 5 min. To further showcase the thermal stability of Fe1 , the activity levels only decreased to 9.0 × 10 6 g mol −1 h −1 at 90°C and 3.2 × 10 6 g mol −1 h −1 at 100°C with the run time at 30 min. Furthermore, all catalysts generated highly linear polyethylene waxes ( M w range: 3–102 kg mol −1 ) with narrow dispersity ( M w / M n range: 1.9–4.1) and high levels of vinyl chain ends that could be influenced by the operating temperature. Such polymeric materials are integral to the development of functional polymers and serve as essential components in lubricant formulations. Catalysis ; Polymerization ; Ethylene ; Dispersity ; Ligand (biochemistry) ; Halide ; Thermal stability ; Steric effects ; Copolymer Organometallic Complex Synthesis and Catalysis ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Catalytic Cross-Coupling Reactions
Authors: Izabela Zaborniak | Michał Sroka | Kamil Wilk | Anna Cieślik | Joanna Raczkowska | Kaja Spilarewicz | Natalia Janiszewska | Kamil Awsiuk | Karol Wolski | Kinga Pielichowska | Paweł Błoniarz | Katarzyna Kisiel | Magdalena Bednarenko | Krzysztof Matyjaszewski | Paweł Chmielarz
Source: ACS Applied Polymer Materials (article, 2025-04-18)
Field: Materials Science — Surfaces, Coatings and Films

Functionalization of Cotton by Thermoresponsive Polymer Brushes for Potential Use as Smart Dressings Cotton is the most widely used dressing material due to its universal availability, affordability, high biodegradability, and ease of recyclability. Modern and advanced techniques for controlled polymer grafting onto its surface enhance and precisely tailor cotton's properties. These improvements contribute to the healing process by preventing adhesion to wounds, facilitating the absorption of body fluids, and enabling the design of innovative dressings capable of the controlled release of active substances. Therefore, this study presents the grafting of thermoresponsive polymer brushes composed of di(ethylene glycol) methyl ether methacrylate (DEGMA) and poly(ethylene glycol) methyl ether methacrylate (OEGMA, <i>M<sub>n</sub></i> ∼ 500) onto a cotton surface using surface-initiated supplemental activator and reducing agent atom transfer radical polymerization (SI-SARA ATRP). By precisely adjusting the composition of DEGMA and OEGMA<sub>500</sub>, we achieved precise control over the polymer layer's lower critical solution temperature (LCST) behavior. The LCST of the copolymers formed in the reaction mixture in the presence of the functionalized surface was analyzed via transmittance measurements. Furthermore, the thermoresponsive properties of the polymer layer grafted onto the cotton surface were evaluated through water contact angle (WCA) measurements at varying temperatures. In addition, the temperature-dependent protein adsorption of the polymer-functionalized cotton was examined to assess the potential dressing's adherence to wounds. Finally, the resulting materials were tested for residual copper content and cytotoxicity. Surface modification ; Smart polymer ; Materials science ; Polymer ; Polymer science ; Nanotechnology ; Chemical engineering ; Composite material ; Engineering Polymer Surface Interaction Studies ; Silk-based biomaterials and applications ; Adhesion, Friction, and Surface Interactions
Authors: V. R. Bikbaeva | С. В. Бубеннов | Д. В. Серебренников | Daria A. Ogurechnikova | Evgenii V. Vakulin | Б. И. Кутепов | Н. Г. Григорьева | A. L. Maximov
Source: Gels (article, 2025-08-02)
Field: Chemistry — Inorganic Chemistry

Anatase-Free Nanosized Hierarchical Titanosilicate TS-1 Synthesis via Nitric Acid-Catalyzed Gel Preparation A new approach to the synthesis of a nanosized and hierarchical titanosilicate, TS-1, is presented. Instead of using specific solid or additional mesoporous templates or individual additives to slow down the hydrolysis of titanium alkoxides, it is proposed that the titanosilicate TS-1 can be obtained from gels synthesized with hydrolysis catalysts (HNO<sub>3</sub> and tetrapropylammonium hydroxide). When nitric acid catalyzes tetraethyl orthosilicate (TEOS) hydrolysis, the resulting crystalline TS-1 that can be obtained has uniform particle sizes (150-180 nm), is anatase-free, and contains up to 46-67% of mesopores. When a base catalyst is applied, the obtained material's features are opposite. Moreover, acid-promoted TS-1 samples catalyze cyclohexene H<sub>2</sub>O<sub>2</sub>-oxidation via a heterolytic route to the cyclohexane epoxide with 67% selectivity, which is non-typical. Catalysis ; Anatase ; Mesoporous material ; Tetraethyl orthosilicate ; Hydrolysis ; Nitric acid ; Cyclohexane ; Materials science ; Hydroxide ; Cyclohexene ; Selectivity ; Titanium ; Tetramethylammonium hydroxide ; Inorganic chemistry ; Chemical engineering ; Chemistry ; Organic chemistry ; Nanotechnology ; Photocatalysis Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis ; Chemical Synthesis and Characterization
Authors: Duarte B. Oliveira | Andreia Araújo | Elvira Fortunato | Rodrigo Martins | Marta C. Corvo | Emanuel Carlos
Source: Advanced Materials Technologies (article, 2025-12-09)
Field: Chemistry — Organic Chemistry

Recent Advances on Thermochromic Inks for Security Applications ABSTRACT In the security printing industry, high complexity stimuli‐responsive functional inks have been used to develop anti‐counterfeit elements, such as authentication markers and encrypted patterns. Through these applications, they create more reliable products, reduce economic losses, help retain brand identity, and assist in identifying counterfeit products. Thermochromic inks, owing to their temperature‐responsive color‐shifts, have gained considerable interest in the last decade as functional inks in a variety of fields. Here, we outline the different types of thermochromic materials, their properties, development scales, and how they have been previously applied, with a focus on their use as security inks for anti‐counterfeit elements. Despite promising functional properties, thermochromic materials are hindered from use by low stability, generally high toxicity, and a lack of printing optimization. In recent years, however, efforts have been made to enhance their durability and sustainability, along with an improved understanding of their thermochromic transitions and novel ink formulations, granting great promise for more diverse and specialized applications. Additionally, their integration alongside other functional materials has promoted the development of multilevel high‐security elements with potential for future anti‐counterfeit technologies. In this review, we highlight recent advancements in property enhancement, sustainable development, and scalability of thermochromic security inks. Thermochromism ; Scalability ; Counterfeit ; Authentication (law) ; Flexibility (engineering) Polydiacetylene-based materials and applications ; Photochromic and Fluorescence Chemistry ; Polymer composites and self-healing
Authors: Lailatul Qomariyah | Nurul Faizah | Achmad Dwitama Karisma | Sadia Rabbani | Sultan Hendra Mahardi Kalloka | Nicky Rahmana Putra
Source: International Journal of Renewable Energy Development (article, 2025-06-24)
Field: Materials Science — Materials Chemistry

Optimization of ultrasonication time on the production of ZnO-SiO2 nanocomposite as photocatalytic material Nanocomposite ZnO-SiO2 is widely known for its efficacy as a semiconductor photocatalyst. Current nanocomposite production methods face challenges like particle agglomeration and inconsistent particle size control. To overcome this problem, the ultrasonication method was used to prevent agglomeration and produce composites in nanoscale, where this study synthesized ZnO-SiO2 for photocatalytic degradation of dye color. To prepare this nanocomposite, the ultrasonication time was varied from 0 to 45 minutes to understand the particle properties and the effectivity on the photocatalytic activity. Silica was prepared from water glass via sol-gel method to produce colloidal SiO2 nanoparticles and then mixed with ZnO with the ratio of 3% wt and subjected to ultrasonication method. Under various ultrasonication time, the FTIR analysis shows the Si-O peak at 895 cm-1 indicates the presence of SiO2 particles. The XRD validate the formation of ZnO-SiO2 nanoparticles, supporting the FTIR analysis. The best nanoparticle properties were achieved with 45 minutes of ultrasonication. The SEM analysis confirms the present of SiO2 and ZnO. From BET analysis, ZnO-SiO2 has a high surface area (117.64 m2/g), moderate pore volume (0.46 cm3/g), and small particle pore size (11.59 nm). The photocatalytic activity of ZnO-SiO₂ nanocomposites was evaluated by the degradation of methylene blue (MB) under sunlight and the best performance reached by the nanocomposite prepared under 45 minutes ultrasonication. The results show that the ultrasonication technique efficiently reduces agglomeration, as indicated by a reduction in particle diameter from 35.04 nm (pure ZnO) to 11.59 nm (ZnO-SiO₂), and significantly enhances photocatalytic activity, achieving 97% degradation of MB under sunlight after 180 minutes. The aforementioned technique demonstrates significant potential for industrial use, providing higher efficiency and expandability in manufacturing superior photocatalytic substances. Sonication ; Nanocomposite ; Photocatalysis ; Materials science ; Chemical engineering ; Particle size ; Fourier transform infrared spectroscopy ; Economies of agglomeration ; Particle (ecology) ; Nanoparticle ; Nanotechnology ; Composite material ; Catalysis ; Chemistry ; Organic chemistry ZnO doping and properties ; Advanced Photocatalysis Techniques ; TiO2 Photocatalysis and Solar Cells
Authors: Ewout Buijs | Zlata Nagorna | Joachim F. R. Van Guyse | Matthias Barz
Source: Macromolecular Rapid Communications (article, 2025-07-16)
Field: Chemistry — Organic Chemistry

Synthesis of Heterotelechelic Poly( <i>N</i> ‐ethylglycine) Polymers: from Polypeptoid Lipid Conjugates to Protein‐Polymer Conjugates The need for alternative hydrophilic polymers to polyethylene glycol (PEG) has intensified due to increasing concerns about immunogenicity and hypersensitivity reactions. In this work, we report the synthesis of well-defined heterotelechelic poly-N-ethylglycine (pNEtGly) via acid-catalyzed ring-opening polymerization of N-substituted N-carboxyanhydrides with a degree of polymerization from 25 to 400. The Leuchs synthesis was modified and optimized for the preparation of high-purity N-ethylglycine NCA monomers, enabling controlled polymerization with the use of organic acid catalysts. The resulting pNEtGly have low polydispersity values (Ð < 1.05) and quantitative end-group fidelity, enabling the synthesis of well-defined polymer-lipid and polymer-protein conjugates. A palmitamide-functionalized pNEtGly demonstrated near-quantitative conversion to polymer-lipid conjugates. Furthermore, maleimide-functionalized pNEtGly was conjugated to human serum albumin (HSA) via thiol-maleimide coupling, forming a protein-polymer conjugate with high purity. These results establish pNEtGly as another interesting hydrophilic polymer for biomedical applications, particularly in lipid-based drug delivery and bioconjugation strategies. Polymer ; Polymerization ; Bioconjugation ; Maleimide ; Dispersity ; Monomer ; Polymer chemistry ; Chemistry ; Polyethylene glycol ; Conjugate ; PEG ratio ; Reversible addition−fragmentation chain-transfer polymerization ; Dextran ; Combinatorial chemistry ; Organic chemistry ; Radical polymerization Advanced Polymer Synthesis and Characterization ; Synthetic Organic Chemistry Methods ; biodegradable polymer synthesis and properties
Authors: Ameen Jowhar Eradiparampath | Zhifang Guo | Glen B. Deacon | Vanitha R. Naina | Julia Feye | Peter W. Roesky | ‬Peter C. Junk
Source: Journal of Organometallic Chemistry (article, 2025-03-31)
Field: Chemistry — Inorganic Chemistry

Facile synthesis of Copper(I) formamidinates and their photoluminescence properties • Copper(I) formamidinates were synthesised by treatment of formamidines with Cu 2 O in pyridine. • Copper (I) formamidinates have been shown to be nicely luminescent. • Copper(I) complexes will have potential as reagents in the synthesis of lanthanoid compounds in redox transmetallation reactions. As a part of investigating the reaction of group 11 metal oxides with proligands, a series of luminescent dinuclear Cu(I) formamidinates, [Cu₂(DippForm)₂] ( 1 ) (DippForm = N , N’-bis(2,6-diisopropylphenyl)formamidinate), [Cu₂(EtForm)₂py] ( 2 ) (EtForm = N , N’-bis(2,6-diethylphenyl)formamidinate, py = pyridine), {[Cu₂(XylForm)₂py]·py} ( 3 ) (XylForm = N , N’-bis(2,6-dimethylphenyl)formamidinate), [Cu₂(MesForm)₂py] ( 4 ) (MesForm = N , N’-bis(2,4,6-trimethylphenyl)formamidinate), [Cu₂( o -TolForm)₂py] ( 5 ) ( o -TolForm = N , N’-bis(2-methylphenyl)formamidinate), [Cu₂(CF₃Form)₂] ( 6 ) (CF₃Form = N , N’-bis(2-trifluoromethylphenyl)formamidinate), and [Cu₂(DFForm)₂(py)₂] ( 7 ) (DFForm = N , N’-bis(2,6-difluorophenyl)formamidinate), were synthesized by the direct reaction of cuprous oxide with the corresponding formamidine in pyridine. One of the metal centres was coordinated by pyridine in complexes 2–5 and each metal centre was coordinated by solvent molecules in complex 7 . The luminescent bimetallic complexes were investigated for their photophysical properties in their solid state. Solid state measurements of the complexes at ambient temperature and at low temperature show phosphorescence emission. As a part of investigating the reaction of group 11 metal oxides with proligands, a series of luminescent dinuclear Cu(I) formamidinates, were synthesized by the direct reaction of cuprous oxide with the corresponding formamidine in pyridine. The luminescent bimetallic complexes were investigated for their photophysical properties in their solid state. Chemistry ; Photoluminescence ; Copper ; Nanotechnology ; Organic chemistry ; Optoelectronics Metal-Organic Frameworks: Synthesis and Applications ; Organometallic Complex Synthesis and Catalysis ; Carbon dioxide utilization in catalysis
Authors: Michalina Skóra | Maciej Nowacki | Maciej Dawidowski
Source: Prospects in Pharmaceutical Sciences (article, 2025-08-08)
Field: Chemistry — Organic Chemistry

Sulfoximine Derivatives — Their Pharmacochemical Properties, Synthesis, and Potential in Drug Discovery Currently, pharmaceutical chemists focus on investigating an increasingly wide range of compounds as potential new drugs, including substances of natural origin and those obtained by chemical synthesis. Due to the advancements in the experimental techniques, modern science possesses numerous tools for discovering new types of biologically active molecules. For example, the development of chemical synthesis methods has created a possibility to reach completely new arrays of compounds, as potential candidates of some new drugs. In this context, sulfoximines have quite recently emerged as a promising and versatile class of organosulfur compounds with interesting pharmacological properties. In this article, we present an overview of the key features of sulfoximine functional group, including its unique pharmacochemical profile, that may elevate its potential in medicinal chemistry. We also briefly discuss examples of synthetic approaches to obtain new derivatives containing this functional group, with particular attention to both classical and modern synthetic protocols. Finally, selected examples of biologically active sulfoximines developed by various research groups are highlighted, demonstrating their potential applications in drug discovery. Drug discovery ; Chemical space ; Organosulfur compounds ; Context (archaeology) ; Computer science ; Biochemical engineering ; Nanotechnology ; Combinatorial chemistry ; Chemistry ; Biology ; Organic chemistry ; Materials science ; Engineering Synthesis and Catalytic Reactions ; Catalytic C–H Functionalization Methods ; Sulfur-Based Synthesis Techniques
Authors: Bethany R. Hood | Yovan de Coene | Claire F. Jones | Noah Deveaux | Jonathan L. Barber | Christopher Marshall | Chloe A. Jordan | Nathan R. Halcovitch | Benoı̂t Champagne | Koen Clays | John Fielden
Source: Inorganic Chemistry (article, 2025-04-14)
Field: Materials Science — Materials Chemistry

Donor and Geometry Optimization: Fresh Perspectives for the Design of Polyoxometalate Charge Transfer Chromophores Three linear, dipolar arylimido-polyoxometalate (POM) and one 2-dimensional <i>bis</i>-functionalized arylimido-polyoxometalate charge transfer chromophore, with diphenylacetylene bridges, have been synthesized and studied by spectroelectrochemistry, hyper-Rayleigh scattering (HRS), and DFT/TD-DFT calculations. The linear systems show that with julolidinyl (Jd) and -NTol<sub>2</sub> donor groups, the alkyne bridge yields high second-order nonlinear optical (NLO) coefficients β (Jd, β<sub>0,<i>zzz</i></sub> = 318 × 10<sup>-30</sup> esu; -NTol<sub>2</sub>, β<sub>0,<i>zzz</i></sub> = 222 × 10<sup>-30</sup> esu), indeed the Jd compound gives the highest NLO activity of any organoimido-POM to date with minimal decrease in transparency. The <i>bis</i>-functionalized 2D (<i>C</i><sub>2v</sub>) POM derivative showed increased activity over its monofunctionalized analogue with no decrease in transparency, although the NLO response was only minimally two dimensional. Spectroelectrochemistry and TD-DFT calculations showed switchable linear optical responses for the monofunctionalized derivatives due to the weakened charge transfer character of the electronic transitions in the reduced state, while TD-DFT also indicated potential for switched NLO responses. These have been demonstrated by electrochemistry-HRS for the Jd compound, but cyclability is limited by relatively poor stability in the reduced state. IR and CV studies for these sterically protected arylimido polyoxometalates indicate that decomposition proceeds via a breakdown of the {Mo<sub>6</sub>} cluster in the reduced state, rather than simple solvolysis of the Mo≡N bond. Chemistry ; Polyoxometalate ; Chromophore ; Charge (physics) ; Transfer (computing) ; Nanotechnology ; Computational chemistry ; Photochemistry ; Organic chemistry ; Catalysis ; Quantum mechanics Polyoxometalates: Synthesis and Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Chemical Synthesis and Reactions
Authors: Cristina Leonelli | Elena Colombini | Cecilia Mortalò
Source: Inorganics (article, 2025-12-16)
Field: Chemistry — Organic Chemistry

Contribution of Microwave Irradiation in the Synthesis of Inorganic Compounds: An Italian Approach Microwave heating has a good number of advantages in the synthesis of inorganic compounds when opportunely exploited. A deep knowledge of the interaction of the electromagnetic waves and matter is necessary to optimize irradiation of the reactor vessel so as to obtain homogeneous heating for homogeneous nucleation and growth of particles, localized heating of starting self-sustained high-temperature synthesis, and generation of a superfast heating and cooling profile to obtain metastable crystals. Case studies of pure oxides, mixed oxides, composites, phosphates, zeolites, and high-entropy alloys are discussed in the international frame of the academic and industrial research covering the last 20 years of microwave chemistry where Italian researchers covered a relevant role. Homogeneous ; Microwave ; Nucleation ; Irradiation ; Microwave irradiation ; Metastability Microwave-Assisted Synthesis and Applications ; Subcritical and Supercritical Water Processes ; Zeolite Catalysis and Synthesis
Authors: Robert Mundil | Pavlína Marková | Martin Orságh | Ewa Pavlová | Zuzana Walterová | Petr Toman | Olga Kočková | Mariusz Uchman
Source: Polymer Chemistry (article, 2025-01-01)
Field: Materials Science — Biomaterials

Tailoring polyester-based diblock copolymers for boron-enhanced drug delivery: synthesis, kinetics, and nanoparticle characterization Precise polymer structure: Functionalized gradient diblock copolymers self-assemble into nanoparticles, facilitating drug encapsulation through reversible interactions between copolymer diols and the phenylboronic acid of a metalolacarborane-based model drug. Polyester ; Copolymer ; Nanoparticle ; Kinetics ; Characterization (materials science) ; Boron ; Drug delivery ; Materials science ; Chemical engineering ; Polymer chemistry ; Nanotechnology ; Chemistry ; Polymer ; Organic chemistry ; Composite material biodegradable polymer synthesis and properties ; Electrospun Nanofibers in Biomedical Applications ; Boron Compounds in Chemistry
Authors: Huimin Xie | Chengzhi Guo | Shuyu Zhu | Jing Yan | Yuewen Zhang | Yang Lan
Source: Macromolecular Chemistry and Physics (article, 2025-05-15)
Field: Materials Science — Materials Chemistry

High‐Precision Construction of Colloidal Superstructures through Cucurbit[n]Uril‐Mediated Self‐Assembly Abstract In the past decades, colloid research has experienced significant growth across various scientific disciplines. This review explores recent advancements in the design and fabrication of cucurbit[n]urils (CB[n])‐mediated self‐assembly for colloids with advanced structures. CB[n], a class of macrocyclic molecules known for their distinctive host–guest interactions, plays a crucial role in synthesizing colloidal superstructures due to their ability to form stable complexes with a wide range of guest molecules. This review provides a comprehensive summary of recent advances in CB[n]‐mediated self‐assembly strategies for constructing diverse colloidal architectures. These assemblies are systematically categorized into distinct types, including colloidal clusters, 1D colloidal chains, raspberry‐like colloids, core–shell colloids, and colloidosomes. While the primary emphasis is placed on construction methodologies, the potential applications of these superstructures are also briefly highlighted in areas such as drug delivery, catalysis, and sensing, to illustrate their relevance in the development of functional materials. By examining the synthesis methods and potential applications, this review underscores the versatility and adaptability of CB[n]‐mediated colloidal systems and their potential to drive future innovations in colloid science. Nanotechnology ; Colloid ; Materials science ; Self-assembly ; Adaptability ; Colloidal particle ; Chemistry ; Organic chemistry ; Biology Pickering emulsions and particle stabilization ; Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials