jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Nuttapol Risangud | Jittima Mama | Piyarat Sungkhaphan | Puttipong Pananusorn | Orawan Termkunanon | Muhammad Sulthan Arkana | Supang Sripraphot | Tareerat Lertwimol | Somprasong Thongkham
Source: ACS Omega (article, 2024-07-04)
Field: Chemistry — Organic Chemistry

Synthesis and Characterization of Furan-Based Methacrylate Oligomers Containing the Imine Functional Group for Stereolithography Herein, a furan-based methacrylate oligomer (FBMO) featuring imine functional groups was synthesized for application in stereolithography. The preparation involved the imination reaction of 5-hydroxymethylfurfural (5-HMF) and amino ethanol. Utilizing 5-HMF as a sustainable building block for furan-based polymers, FBMO was formulated and subsequently integrated into photosensitive resin formulations along with methacrylate-containing diluents, such as PEGDMA and TEGDMA. The synthesized furan-based methacrylate oligomers underwent comprehensive characterization using FTIR, <sup>1</sup>H NMR spectroscopy, and size exclusion chromatography. The impact of methacrylate-containing diluents on various properties of the formulated resins and the resulting 3D-printed specimens was systematically evaluated. This assessment included an analysis of rheological behavior, printing fidelity, mechanical properties, thermal stability, surface morphology, and cytotoxicity. By adjusting the ratios of FBMO to methacrylate-containing diluents within the range of 50:50 to 90:10, the viscosity of the resulting resins was controlled to fall within 0.04 to 0.28 Pa s at a shear rate of 10 s<sup>-1</sup>. The 3D-printed specimens exhibited precise conformity to the computer-aided design (CAD) model and demonstrated compressive moduli ranging from 0.53 ± 0.04 to 144 ± 6.70 MPa, dependent on the resin formulation and internal structure. Furthermore, cytotoxicity assessments revealed that the 3D-printed specimens were noncytotoxic to porcine chondrocytes. In conclusion, we introduce a new strategy to prepare the furan-based methacrylate oligomer (FBMO) and 3D-printed specimens with adjustable properties using stereolithography, which can be further utilized for appropriate applications. Methacrylate ; Stereolithography ; Materials science ; Polymer chemistry ; Furan ; Thermal stability ; Diluent ; Polymer ; Chemical engineering ; Chemistry ; Composite material ; Organic chemistry ; Polymerization Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Additive Manufacturing and 3D Printing Technologies
Authors: Ying Qi | Yang Hua-ming | Chunli Li | Hao Li
Source: Molecules (article, 2024-02-23)
Field: Materials Science — Materials Chemistry

Enhanced Adsorption of Trace Ethylene on Ag/NZ5 Modified with Ammonia: Hierarchical Structure and Metal Dispersion Effects Trace ethylene poses a significant challenge during the storage and transportation of agricultural products, causing over-ripening, reducing shelf life, and leading to food waste. Zeolite-supported silver adsorbents show promise for efficiently removing trace ethylene. Herein, hierarchical Ag/NZ5(X) adsorbents were prepared via different ammonia modifications, which featured enhanced ethylene adsorption ability. Ag/NZ5(2.5) exhibited the largest capacity and achieved near-complete removal at room temperature with prolonged efficacy. Characterization results indicated that the ammonia modification led to the formation of a hierarchical structure in the zeolite framework, reducing diffusion resistance and increasing the accessibility of the active sites. Additionally, desilication effects increased the defectiveness, generating a stronger metal-support interaction and resulting in a higher metal dispersion rate. These findings provide valuable insights into the development of efficient adsorbents for removing trace ethylene, thereby reducing food waste and extending the shelf life of agricultural products. Ethylene ; Adsorption ; Dispersion (optics) ; Zeolite ; Trace metal ; Metal ; Ammonia ; Materials science ; Chemical engineering ; Diffusion ; Chemistry ; Organic chemistry ; Catalysis ; Metallurgy Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions ; Advanced Photocatalysis Techniques
Authors: Joshua M. Speer | Grigori A. Medvedev | James M. Caruthers | Jessica V. Lamb | Massimiliano Delferro | Mahdi M. Abu‐Omar
Source: Macromolecules (article, 2024-07-09)
Field: Chemistry — Organic Chemistry

Mechanism of the Comonomer Effect in LLDPE from Ethylene/1-Hexene Using a Quinoline-Amine Hafnium Catalyst Polymers of ethylene and copolymers of ethylene and 1-hexene are synthesized by utilizing a single-site hafnium catalyst activated with tris(pentafluorophenyl)borane. Polymer production increases sharply as compared to the homopolymerization of ethylene with the addition of just a small amount of 1-hexene–a phenomenon known as the “comonomer effect.” A mechanism behind the comonomer effect is proposed where the activation-initiation step plays the key part. When only a small fraction of the precatalyst is initially active, high molecular weight (170 000 g mol–1, Đ 1.6) polymer chains grow, forming a physical gel structure that traps catalyst, monomer, and solvent molecules, thereby shutting down the reaction–this scenario plays out in the case of homopolymerization of ethylene. 1-Hexene, when present, slows down the chain growth, thereby lowering the molecular weight and preventing the formation of a gel, which in turn allows for more catalytic sites to be initiated; the reaction continues, resulting in a larger amount of polymer of lower molecular weight (25 000 g mol–1). The proposed mechanism is validated in a series of experiments where targeted variation of the activation/initiation steps is shown to produce, depending on the condition, either a small amount of high molecular weight physical gel or a large amount of low molecular weight polymer. Comonomer ; Ethylene ; Polymer chemistry ; Polymer ; Chemistry ; 1-Hexene ; Hexene ; Catalysis ; Copolymer ; Monomer ; Linear low-density polyethylene ; Organic chemistry Organometallic Complex Synthesis and Catalysis ; Carbon dioxide utilization in catalysis ; Asymmetric Hydrogenation and Catalysis
Authors: Guillermo Cruz‐Quesada | Beatriz Rosales‐Reina | Diego López‐Torres | Santiago Reinoso | María Victoria López‐Ramón | Gurutze Arzamendi | César Elosúa | Maialen Espinal‐Viguri | Julián J. Garrido
Source: Sensors and Actuators B Chemical (article, 2024-01-22)
Field: Materials Science — Materials Chemistry

From fundamental materials chemistry to sensing applications: Unravelling the water adsorption mechanism of a luminescent optical fibre sensor membrane This work provides insight into the correlation between the luminescent response of a water-vapour optical fibre sensor and the textural properties of its lanthanide-doped silica coating. To this end, a library of 16 silica xerogels derived from combinations between 2 lanthanide dopants (EuIII, TbIII) and 8 antenna ligands was synthesised and characterised by photoluminescence spectroscopy and N2 and CO2 adsorption-desorption isotherms, among others. Based on the best luminescent response and most-suited porous texture, the material doped with TbIII and 2,2′-(4-(2-Ethoxyethoxy)pyridine-2,6-diyl)bis(4,5-dihydrooxazole) was selected to construct the probe. A film of this material was affixed to a commercial silica fibre by dip-coating and the resulting sensor was tested in a climatic chamber with relative humidity ranging from 20 to 90% to obtain normalised time-response and calibration curves at three temperatures. The response was linear up to certain water-vapour concentrations, beyond which abruptly changed to polynomial, acting against the sensor resolution. The adsorption mechanism was elucidated by comparing the isosteric enthalpies of adsorption calculated from the sensor calibration curves to those determined from the monolith water-vapour isotherms, revealing that capillary condensation in the membrane mesopores was the key phenomenon leading to the response deviating from linearity. Adsorption ; Luminescence ; Capillary condensation ; Water vapor ; Calibration curve ; Materials science ; Chemical engineering ; Lanthanide ; Analytical Chemistry (journal) ; Chemistry ; Detection limit ; Chromatography ; Organic chemistry ; Optoelectronics Mesoporous Materials and Catalysis ; Aerogels and thermal insulation ; Gas Sensing Nanomaterials and Sensors
Authors: Masoumeh Mousavi | Kexin Hou | Mohammadjavad Kazemi | Cheng‐Hui Li | Elham H. Fini
Source: Advanced Sustainable Systems (article, 2024-08-18)
Field: Materials Science — Polymers and Plastics

Revolutionizing Sulfur Polymerization with a Biogenic Catalyst Approach Abstract This study introduces a novel biogenic catalyst derived from silver grass (SG) that could revolutionize sulfur polymerization, addressing the critical challenge of sulfur waste management. The oil refining industry generates large quantities of sulfur byproducts, which pose significant environmental risks. Inverse vulcanization offers a promising method to convert this waste into valuable polymers, but it traditionally relies on costly and environmentally harmful catalysts. The development of benign, sustainable catalysts is essential to making sulfur polymerization more eco‐friendly and scalable. This research demonstrates the effectiveness of the SG biogenic catalyst compared to the conventional chemical catalyst zinc diethyldithiocarbamate (Zn(DTC) 2 ). Rheological characterizations reveal that the SG catalyst not only outperforms Zn(DTC) 2 at elevated temperatures but also provides superior moisture resistance, enhancing polymer durability. Additionally, the SG‐catalyzed polymer exhibits better elasticity and structural integrity under mechanical stress. A density functional theory (DFT)‐based study further supports these findings, showing that the SG biochar matrix enables stronger Zn‐S coordination, resulting in improved polymer properties. These results highlight the potential of this biogenic catalyst to revolutionize sulfur polymerization, paving the way for more sustainable practices in the chemical industry by converting waste sulfur into valuable polymer resources. Polymerization ; Catalysis ; Sulfur ; Chemistry ; Environmental science ; Polymer science ; Chemical engineering ; Organic chemistry ; Polymer ; Engineering Synthesis and properties of polymers ; biodegradable polymer synthesis and properties ; Carbon dioxide utilization in catalysis
Authors: Svetlana Lukáš Petrova | Vladimir Sincari | Ewa Pavlova | Václav Pokorný | Volodymyr Lobaz | Martin Hrubý
Source: ACS Polymers Au (article, 2024-05-31)
Field: Chemistry — Organic Chemistry

Microfluidic Controlled Self-Assembly of Polylactide (PLA)-Based Linear and Graft Copolymers into Nanoparticles with Diverse Morphologies This study outlines the microfluidic (MF) controlled self-assembly of polylactide (PLA)-based linear and graft copolymers. The PLA-based copolymers (PLA-Cs) were synthesized through a convenient one-pot/one-step ROP/RAFT technique. Three distinct vinyl monomers-triethylene glycol methacrylate (TEGMA), 2-hydroxypropyl methacrylate (HPMA), and <i>N</i>-(2-hydroxypropyl) methacrylamide (HPMAA) were employed to prepare various copolymers: linear thermoresponsive polylactide-<i>b</i>-poly(triethylene glycol methacrylate) (PLA-<i>b</i>-PTEGMA), graft pseudothermoresponsive poly[<i>N</i>-(2-hydroxypropyl)] methacrylate-<i>g</i>-polylactide (PHPMA-<i>g</i>-PLA), and graft amphiphilic poly[<i>N</i>-(2-hydroxypropyl)] methacrylamide-<i>g</i>-polylactide (PHPMAA-<i>g</i>-PLA). The MF technology was utilized for the controlled self-assembly of these PLA-based BCs in a solution, resulting in a range of nanoparticle (NP) morphologies. The thermoresponsive PLA-<i>b</i>-PTEGMA diblock copolymer formed thermodynamically stable micelles (Ms) through kinetically controlled assemblies. Similarly, employing MF channels led to the self-assembly of PHPMA-<i>g</i>-PLA, yielding polymersomes (PSs) with adjustable sizes under the same solution conditions. Conversely, the PHPMAA-<i>g</i>-PLA copolymer generated worm-like particles (Ws). The analysis of resulting nano-objects involves techniques such as transmission electron microscopy, dynamic light scattering investigations (DLS), and small-angle X-ray scattering (SAXS). More specifically, the thermoresponsive behavior of PLA-<i>b</i>-PTEGMA and PHPMA-<i>g</i>-PLA nano-objects is validated through variable-temperature DLS, TEM, and SAXS methods. Furthermore, the study explored the specific interactions between the formed Ms, PSs, and/or Ws with proteins in human blood plasma, utilizing isothermal titration calorimetry. Copolymer ; Microfluidics ; Materials science ; Nanoparticle ; Nanotechnology ; Self-assembly ; Polymer science ; Polymer chemistry ; Chemical engineering ; Polymer ; Composite material Advanced Polymer Synthesis and Characterization ; Polymer Surface Interaction Studies ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Gye Seok An
Source: Processes (article, 2024-05-31)
Field: Materials Science — Biomaterials

Synthesis of Silver-Decorated Magnetite Nanoparticles Using Self-Assembly Methods This study investigated the synthesis and functional characteristics of Fe3O4@Ag core–shell nanoparticles, focusing on the impact of amino functionalization on their structural and chemical properties. Utilizing self-assembly methods driven by electrostatic interactions, we achieved the effective adsorption of Ag nanoparticles into Fe3O4 cores previously modified with silane (APTES) or polymer (PEI) precursors. Our results elucidate how the type of amino precursor affects the surface charge and subsequent adsorption dynamics, revealing that PEI-modified Fe3O4 nanoparticles exhibit more substantial Ag nanoparticle adsorption than those modified with APTES. This enhanced adsorption was attributed to the higher density of the amine groups introduced by PEI, which also affected the electrostatic properties of the nanoparticles, as evidenced by their zeta-potential values. Moreover, this study highlighted the role of electrostatic attraction in the self-assembly process, facilitating a controlled synthesis environment that enhances the stability and functionality of nanoparticles for potential biomedical and catalytic applications. This research not only advances our understanding of nanoparticle behavior under different surface chemistries but also demonstrates the importance of surface engineering in optimizing nanoparticle performance for targeted applications. Magnetite ; Magnetite Nanoparticles ; Materials science ; Nanoparticle ; Nanotechnology ; Chemical engineering ; Magnetic nanoparticles ; Metallurgy ; Engineering Nanoparticle-Based Drug Delivery ; Magnetic Properties and Synthesis of Ferrites ; Iron oxide chemistry and applications
Authors: Jayachandran Parthiban | Dipti Garg | Jayaraman Sivaguru
Source: Molecules (review, 2024-10-16)
Field: Chemistry — Organic Chemistry

Photoinduced Transformations with Diverse Maleimide Scaffolds Maleimides serve as crucial components in various synthetic processes and are of significant interest to researchers in bioorganic chemistry and biotechnology. Although thermal reactions involving maleimides have been studied extensively, light-mediated reactions with maleimides remain relatively underutilized. This review focuses on understanding the behavior of maleimides in their excited state, particularly their role as synthetic scaffolds for excited-state reactions. Specific emphasis is placed on the diverse photoreactions involving maleimides and photophysical evaluation from our research group. Maleimide ; Bioorganic chemistry ; Chemistry ; Excited state ; Nanotechnology ; Combinatorial chemistry ; Organic chemistry ; Materials science Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Phenothiazines and Benzothiazines Synthesis and Activities
Authors: Ziqiong Huang | Jufang Yang | Jianshuo Cheng | Lulu Zhou | Chunrui Zhao | Shen Shen | Glib Baryshnikov | Hans Ågren | Qi Zou | Liangliang Zhu
Source: Chemistry of Materials (article, 2024-08-20)
Field: Materials Science — Materials Chemistry

Molecular Engineering of Red Aggregation-Induced Emission Luminogens with Small Conjugated Structures Design strategies for red/near-infrared aggregation-induced emission luminogens (AIE-gens) with biological applications still face significant challenges as the conventional π-conjugated extension requires complex synthesis routes and usually suffers from poor solubility. Herein, we propose a delicate strategy for red emission through AIE of small conjugated structures, hexaselenobenzene derivatives (6SeBA and 6SeBPI), with the assistance of the heavy atom effect from the substitution of selenium. The hexaselenobenzene core exhibits both the AIE effect and efficient triplet-state emission. Through molecular engineering, 6SeBA exhibits bright and stable red photoluminescence at 650 nm with a large Stokes shift, and 6SeBPI shows dual emission bands, further demonstrating the dynamical monitoring of cellular processes via multichannel imaging. In addition, 6SeBPI can generate a greater quantity of reactive oxygen species upon exposure to light, thereby conferring the potential for photodynamic immunotherapy. This strategy provides insights into the design of red AIE luminogens with shorter conjugated scales, paving the way for simultaneous imaging and therapy. Conjugated system ; Aggregation-induced emission ; Photochemistry ; Photoluminescence ; Molecular engineering ; Chemistry ; Fluorescence ; Stokes shift ; Nanotechnology ; Materials science ; Combinatorial chemistry ; Luminescence ; Optoelectronics ; Polymer ; Organic chemistry ; Optics Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Molecular Sensors and Ion Detection
Authors: James Lefley | C. Remzi Becer
Source: Polymer Chemistry (article, 2024-01-01)
Field: Materials Science — Polymers and Plastics

Expanding the poly(2-oxazoline) block copolymer possibilities through nitroxide mediated polymerisation In recent years, poly(2-oxazoline)s (POx) have become a sought-after biomaterial to replace PEG. Endcapping POx with BlocBuilder MA enables copolymerization with a variety of vinylic monomers, producing unique POx-vinyl block copolymer combinations. Copolymer ; Nitroxide mediated radical polymerization ; Oxazoline ; Block (permutation group theory) ; Polymerization ; Polymer chemistry ; Chemistry ; Polymer science ; Radical polymerization ; Polymer ; Organic chemistry ; Catalysis ; Mathematics ; Combinatorics Synthesis and properties of polymers ; Advanced Polymer Synthesis and Characterization
Authors: Natalie Mounayer | Shlomo Margel
Source: Polymers (article, 2024-07-14)
Field: Materials Science — Surfaces, Coatings and Films

Engineering of Silane–Pyrrolidone Nano/Microparticles and Anti-Fogging Thin Coatings Polyvinylpyrrolidone (PVP) exhibits remarkable qualities; owing to the strong affinity for water of its pyrrolidone group, which enhances compatibility with aqueous systems, it is effective for stabilizing, binding, or carrying food, drugs, and cosmetics. However, coating the surface of polymeric films with PVP is not practical, as the coatings dissolve easily in water and ethanol. Poly(silane-pyrrolidone) nano/microparticles were prepared by combining addition polymerization of methacryloxypropyltriethoxysilane and N-vinylpyrrolidone, followed by step-growth Stöber polymerization of the formed silane-pyrrolidone monomer. The silane-pyrrolidone monomeric solution was spread on oxidized polyethylene films with a Mayer rod and polymerized to form siloxane (Si-O-Si) self-cross-linked durable anti-fog thin coatings with pyrrolidone groups exposed on the outer surface. The coatings exhibited similar wetting properties to PVP with significantly greater stability. The particles and coatings were characterized by microscopy, contact angle measurements, and spectroscopy, and tested using hot fog. Excellent anti-fogging activity was found. Silane ; Materials science ; Polyvinylpyrrolidone ; Contact angle ; Chemical engineering ; Siloxane ; Wetting ; Polymerization ; Monomer ; Polymer chemistry ; Coating ; Polymer ; Composite material Surface Modification and Superhydrophobicity ; Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials
Authors: Yuxin Zhao | Samira F. Kurtoğlu‐Öztulum | Adam S. Hoffman | Jiyun Hong | Jorge E. Perez-Aguilar | Simon R. Bare | Alper Uzun
Source: Chemical Engineering Journal (article, 2024-02-16)
Field: Chemistry — Inorganic Chemistry

Acetylene ligands stabilize atomically dispersed supported rhodium complexes under harsh conditions Rhodium ; Acetylene ; Nanoclusters ; Extended X-ray absorption fine structure ; XANES ; Catalysis ; Absorption (acoustics) ; Sintering ; Dispersion (optics) ; Photochemistry ; Chemistry ; Metal ; Materials science ; Inorganic chemistry ; Chemical engineering ; Absorption spectroscopy ; Organic chemistry ; Spectroscopy Asymmetric Hydrogenation and Catalysis ; Nanomaterials for catalytic reactions ; Catalytic Processes in Materials Science
Authors: N. Adnan | Mohd Hafidzal Mohd Hanafi | Nurul Hanim Razak | Fahmi Asyadi Md Yusof | Syazwan Hanani Meriam Suhaimy | Grasianto Grasianto
Source: Journal of Advanced Research in Fluid Mechanics and Thermal Sciences (article, 2024-12-10)
Field: Materials Science — Polymers and Plastics

Study on Mechanical and Thermal Properties of Plasticizer with Epoxidation Waste Cooking Oil This study investigates the mechanical and thermal properties of plasticizers formulated with Epoxidized Waste Cooking Oil (EWCO). The primary objective is to evaluate the influence of EWCO as a plasticizer on the performance of polylactic acid (PLA) composites. Epoxidation of waste cooking oil with and without catalyst (sulfuric acid) is applied before mix with PLA. PLA, a biodegradable polymer, is chosen due to its environmental benefits, but its brittleness limits its application. By incorporating varying weight ratios of EWCO (2.5%, 5%, 7.5%, and 10%), both with and without the presence of a catalyst, the tensile strength and thermal stability of the resulting composites are assessed. The mechanical properties were analyzed through tensile strength tests, revealing that the inclusion of EWCO generally decreases the tensile strength of PLA. Notably, the addition of a catalyst significantly enhances the tensile strength, demonstrating the potential of catalysts in optimizing the mechanical properties of PLA/EWCO composites. Thermal properties were evaluated a melting point and a glass transition temperature (Tg). Results indicate that EWCO influences the thermal stability of PLA, with variations depending on the presence of a catalyst and the EWCO concentration. The results in this research also shows that sulfuric acid is used as a catalyst in the epoxidation process of waste cooking oil (WCO) to produce epoxidized waste cooking oil (EWCO) the epoxide yield achieve around 85% and give shorter reaction time of 4 hours. This research contributes to the understanding of how EWCO, a sustainable and eco-friendly plasticizer, affects the mechanical and thermal properties of PLA composites. The findings of this study shows that EWCO enhances flexibility, the mechanical strength and thermal stability This study provides a foundation for future research aimed at developing optimized PLA/EWCO composites for diverse applications, promoting sustainability in material science. Plasticizer ; Waste management ; Cooking oil ; Thermal ; Materials science ; Environmental science ; Composite material ; Chemistry ; Organic chemistry ; Engineering ; Catalysis ; Thermodynamics Polymer Science and PVC ; Advanced Polymer Synthesis and Characterization