jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sayan Basak | B. P. Nelson
Source: Polymer Engineering and Science (article, 2025-07-03)
Field: Chemistry — Organic Chemistry

Design and Controlled Synthesis of Sub‐50 nm Polystyrene Seed Latexes for Emulsion Polymerization ABSTRACT This study presents a comprehensive investigation into the synthesis of sub‐50 nm polystyrene seed latexes via emulsion polymerization, with a specific focus on the influence of both material (formulation) and processing parameters on particle size, distribution, and stability. Through systematic experimentation, we optimized the use of a sulfosuccinate‐based surfactant system ( Sodium dicycloalkyl sulfosuccinate ), both alone and in dual‐surfactant configurations with a disulfonate co‐surfactant ( Alkyl diphenyl oxide disulfonate sodium salt ), to enhance micelle formation and colloidal stability. Key variables including surfactant concentration/initiator levels (material/formulation parameters) and reaction time/temperature (processing parameters) were fine‐tuned to achieve precise control over particle nucleation and growth. The resulting polystyrene (PS) seed latexes exhibited uniform particle sizes as small as 25 nm, narrow polydispersity indices (~2.6%), and excellent electrostatic stability (zeta potential ~−44 mV). Reaction temperature showed minimal influence, indicating a robust process suitable for industrial scale‐up. The protocol developed herein enables reproducible synthesis of nanoscale, monodisperse PS seeds, providing a foundational framework for advanced emulsion polymerization systems, especially in the production of styrene‐butadiene rubber latexes. Materials science ; Polystyrene ; Emulsion polymerization ; Emulsion ; Chemical engineering ; Polymerization ; Polymer chemistry ; Composite material ; Polymer Advanced Polymer Synthesis and Characterization ; Innovative Microfluidic and Catalytic Techniques Innovation ; Analytical Chemistry and Chromatography
Authors: Jithender Rallabandi | Indrajit Shown
Source: ChemistrySelect (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Palladium‐Catalyzed Site‐Selective C─H Alkoxylation Using Biorelevant Heterocyclic Directing Groups Abstract This study introduces a novel palladium‐catalyzed alkoxylation method via C─H activation, utilizing an intrinsic, weakly coordinating directing group (DG) derived from bioactive molecules. This approach is particularly relevant for the pharmaceutical and chemical industries, offering a versatile tool for functionalizing complex compounds. The success and site selectivity of this method are determined by the choice of catalytic systems and reaction conditions, including the catalyst, ligand, solvent, and temperature. The substrate scope demonstrates broad applicability, particularly for modifying bioactive scaffolds, highlighting the method's generalizability. This protocol provides a promising route for altering pharmaceutical compounds and other critical chemical products with exceptional regioselectivity. The discovery of an intrinsic DG, combined with the ability to fine‐tune reaction conditions, positions this methodology as a significant advancement for functionalization processes in pharmaceutical and chemical applications, paving the way for further exploration in these fields. Palladium ; Catalysis ; Chemistry ; Combinatorial chemistry ; Medicinal chemistry ; Stereochemistry ; Organic chemistry Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Asymmetric Hydrogenation and Catalysis
Authors: Ji-Yuan Xing | Sheng Li | Lei Zhu | Hong Liu | You‐Liang Zhu
Source: Macromolecules (article, 2025-06-12)
Field: Chemistry — Organic Chemistry

Polymerization-Induced Self-Assembly for Modulating Assembly Pathways and Microstructures of Amphiphilic Gradient Copolymer Nanoparticles Polymerization-induced self-assembly (PISA) offers a versatile platform for designing polymeric nanoparticles. Amphiphilic gradient copolymers, characterized by a gradual transition from hydrophilic to hydrophobic segments, exhibit reduced interfacial tension and enhanced stimulus responsiveness. However, the interplay between polymerization and self-assembly in PISA, influenced by the monomer feed ratio and reactivity, remains ambiguous. Herein, we employ coarse-grained simulations to investigate the role of the effective polymerization bias between monomers. Our results reveal that the relative monomer reactivity plays a key role in determining both the copolymer sequence and the vesicle formation pathway. At low reactivity differences, comparable monomer reactivities facilitate a cooperative polymerization-assembly process that produces numerous small spherical assemblies, which subsequently merge and reorganize into vesicles. In contrast, high reactivity asymmetry favors the formation of anisotropic worm-like micelles that progressively fuse, bend, and enclose into vesicular structures. Microstructural analysis further shows that gradient copolymer vesicles possess internal cavities larger than those formed from block copolymers. These insights provide guidance for tailoring vesicle formation pathways and fine-tuning microstructures for potential applications in drug delivery and materials science. Copolymer ; Amphiphile ; Self-assembly ; Polymerization ; Nanoparticle ; Polymer chemistry ; Materials science ; Microstructure ; Chemical engineering ; Chemistry ; Nanotechnology ; Polymer ; Organic chemistry Advanced Polymer Synthesis and Characterization ; Nanoparticle-Based Drug Delivery ; Polymer Surface Interaction Studies
Authors: Maja D. Marković | Vesna V. Panić | Rada Pjanović
Source: Biopolymers (review, 2025-03-19)
Field: Materials Science — Polymers and Plastics

Polymeric Nanosystems: A Breakthrough Approach to Treating Inflammation and Inflammation Related Diseases Inflammation processes can cause mild to severe damage in the human body and can lead to a large number of inflammation-related diseases (IRD) such as cancer, neural, vascular, and pulmonary diseases. Limitations of anti-inflammatory drugs (AID) application are reflected in high therapeutic doses, toxicity, low bioavailability and solubility, side effects, etc. Polymeric nanosystems (PS) have been recognized as a safe and effective technology that is able to overcome these limitations by AID encapsulation and is able to answer to the specific demands of the IRD treatment. PS are attracting great attention due to their versatility, biocompatibility, low toxicity, fine-tuned properties, functionality, and ability for precise delivery of anti-inflammatory drugs to the targeted sites in the human body. This article offers an overview of three classes of polymeric nanosystems: a) dendrimers, b) polymeric micelles and polymeric nanoparticles, and c) polymeric filomicelles, as well as their properties, preparation, and application in IRD treatment. In the future, the number of PS formulations in clinical practice will certainly increase. Nanotechnology ; Inflammation ; Biocompatibility ; Chemistry ; Bioavailability ; Pharmacology ; Medicine ; Materials science ; Immunology Dendrimers and Hyperbranched Polymers ; Nanoparticle-Based Drug Delivery ; RNA Interference and Gene Delivery
Authors: Alex S. Loch | Иванов Михаил | Simona Bianco | Dipankar Ghosh | Ravi R. Sonani | Victor Chechik | Massimo Vassalli | Edward H. Egelman | Andrew J. Smith | Dave J. Adams
Source: ACS Applied Materials & Interfaces (article, 2025-05-12)
Field: Chemistry — Organic Chemistry

Supramolecular Benzophenone-Based Photoinitiator for Spatially-Resolved Polymerization Benzophenone-based materials remain widely used as photoinitiators for ultraviolet light-induced free radical polymerizations. Traditionally, polymerization is spatially controlled using top-down techniques such as photomasks, which produce well-defined polymeric films. In contrast, we present an alternative method for controlling polymerization by employing supramolecular materials to localize the photoinitiator. This approach uses benzophenone-functionalized dipeptides that are specifically tuned to enable supramolecular gel noodle formation, which act as structural templates. We show that polymerization of acrylate monomers around the gel noodles can increase the Young's modulus by up to 2 orders of magnitude and produce mechanically robust structures that can be handled. The self-assembly of the supramolecular photoinitiators is also explored using viscosity and SAXS measurements, providing an understanding of why only <b>4BPAcFF</b> successfully forms gel noodles. Our method offers a simple yet effective technique for localizing polymerization, enabling fine-tuning of mechanical properties and the fabrication of intricate designs such as hollow-core structures. Photoinitiator ; Benzophenone ; Materials science ; Polymerization ; Supramolecular chemistry ; Photochemistry ; Photopolymer ; Polymer chemistry ; Polymer science ; Polymer ; Organic chemistry ; Monomer ; Composite material ; Molecule ; Chemistry Photopolymerization techniques and applications ; Photochromic and Fluorescence Chemistry ; Polydiacetylene-based materials and applications
Authors: Irena Khatrin | Alan J. McCue | Iman Abdullah | Yuni Krisyuningsih Krisnandi
Source: ChemistrySelect (article, 2025-10-01)
Field: Chemistry — Inorganic Chemistry

Structural and Surface Modifications of Zeolite to Tailor Its Catalytic Properties Abstract The catalytic performance of zeolites is intrinsically linked to their structural and chemical properties. This review comprehensively explores how various structural and surface modifications enhance catalytic efficiency and fine‐tune zeolite physicochemical properties. A key approach involves controlling the Si/Al ratio, which profoundly influences acidity and hydrothermal stability. Both bottom‐up (synthesis) and top‐down (post‐synthesis) methods offer pathways to engineer specific acid site densities and introduce beneficial mesoporosity. Beyond composition, advancements in morphological control (2D nanosheets to 3D hollow particles) further enhance catalytic efficiency by effectively addressing diffusion limitations and extending catalyst lifetime. In terms of modulating the acid sites, the review highlights versatile approaches to metal incorporation, including isomorphous substitution for tuning framework acidity and various functionalization techniques–i.e., ion exchange, impregnation, and encapsulation–for creating spatially confined and highly dispersed metal nanoparticles on zeolite surfaces or within their internal sites. Case studies highlight the benefits of modifications in various catalytic reactions, including CO oxidation, methanol‐to‐olefins, and hydrodeoxygenation, demonstrating improved acidity, selectivity, and stability. The review concludes by outlining ongoing challenges related to optimizing synthesis methods to enhance one property without sacrificing others, advocating for integrated research combining advanced characterization with catalytic testing to establish robust structure‐performance relationships of zeolite catalysts. Catalysis ; Zeolite ; Characterization (materials science) ; Hydrothermal circulation ; Catalytic efficiency ; Surface modification Zeolite Catalysis and Synthesis ; Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions
Authors: Jiawei Chen | Yu-Hang Song | Yumeng Gan | Weiwei Cai | Haoshang Wang | Huichong Liu | Bingling Dai | Yueying Peng | Cheng Wang
Source: Small Methods (article, 2025-02-16)
Field: Chemistry — Inorganic Chemistry

Time‐resolved Solvothermal Synthesis for Controlling Lateral Size of 2D Metal–Organic Layers Metal-Organic Layers (MOLs), 2D analogs of Metal-Organic Frameworks (MOFs), feature monolayer structures with the potential for various applications. Controlling the lateral size of MOLs is essential for enhancing their dispersibility in solvents and optimizing performance. However, reducing lateral dimensions while preserving monolayer thickness presents a challenge due to the precise conditions required for monolayer formation. This study utilizes a time-resolved solvothermal synthesis method, employing flow chemistry to adjust reaction conditions dynamically during different stages of MOL growth. Fast nucleation is triggered initially to generate numerous nuclei, followed by a shift to slower growth rates, limiting further expansion and preventing the formation of amorphous structures. This approach effectively refines the lateral dimensions of nano-MOLs while maintaining monolayer integrity. The reduction in lateral dimensions has a direct effect on improving catalytic performance, demonstrating the potential for fine-tuned nanosized MOLs in advanced applications. Monolayer ; Nucleation ; Materials science ; Nanotechnology ; Catalysis ; Metal ; Amorphous solid ; Limiting ; Solvothermal synthesis ; Chemical engineering ; Chemistry ; Organic chemistry ; Inorganic chemistry ; Metallurgy Metal-Organic Frameworks: Synthesis and Applications ; Dendrimers and Hyperbranched Polymers ; Covalent Organic Framework Applications
Authors: Qihe Ma | Chuang Liu | Yanqiu Zhu | Yi Zheng | Yanpeng Wu | Wei Gao | Fushan Wang | Zhengping Dong
Source: Chemical Engineering Journal (article, 2025-08-20)
Field: Chemistry — Organic Chemistry

Small-molecule-assisted formation of Pd nanoclusters on N-doped mesoporous carbon for improved semi‑hydrogenation of alkynols Nanoclusters ; Mesoporous material ; Doping ; Carbon fibers ; Molecule ; Materials science ; Chemical engineering ; Nanotechnology ; Small molecule ; Chemistry ; Catalysis ; Organic chemistry ; Composite number ; Optoelectronics ; Composite material Nanomaterials for catalytic reactions ; Catalytic Processes in Materials Science ; Nanocluster Synthesis and Applications
Authors: Angelika Plota-Pietrzak | Mateusz Pęśko | Renia Fotiadou | Ιoannis V. Pavlidis | Anna Masek
Source: Sustainable materials and technologies (article, 2025-07-17)
Field: Materials Science — Biomaterials

Strategies in chitin and chitosan functionalization – From the production of defined oligos to the synthesis of blends The increasing demand for sustainable biomaterials has positioned chitosan as a key candidate in materials engineering. As a partially deacetylated derivative of chitin, chitosan exhibits biodegradability, biocompatibility, and antimicrobial activity. However, its limited solubility, mechanical fragility, and structural heterogeneity require targeted modifications to enhance its performance in biomedical, pharmaceutical, food, and environmental applications. This review systematically evaluates enzymatic and chemical strategies for the production and functionalization of chitosan. Enzymatic approaches, including hydrolytic depolymerization by chitinases and oxidative cleavage via lytic polysaccharide monooxygenases (LPMOs), enable precise molecular weight control while preserving bioactivity in the resulting chitooligosaccharides. Enzymatic deacetylation by carbohydrate esterases further fine-tunes the degree of deacetylation, modulating solubility and charge distribution. Chemical modifications—such as acylation, alkylation, carboxylation, sulfation, phosphorylation, and quaternization—expand chitosan's functional versatility. Additionally, graft copolymerization and crosslinking strategies improve mechanical stability and degradation kinetics. These advancements support the development of high-performance chitosan-based systems for drug delivery, tissue engineering, biosensing, and biodegradable coatings. Despite substantial progress, challenges remain in terms of large-scale production, cost efficiency, and structural reproducibility. Future efforts should focus on optimizing eco-friendly modification techniques, refining analytical methodologies, and improving process scalability. The integration of enzymatic and chemical modification routes offers a promising path toward expanding chitosan's industrial potential and accelerating innovation in sustainable materials science. Chitin ; Chitosan ; Surface modification ; Chemistry ; Polymer science ; Materials science ; Chemical engineering ; Combinatorial chemistry ; Organic chemistry ; Engineering Nanocomposite Films for Food Packaging ; Studies on Chitinases and Chitosanases ; Polysaccharides Composition and Applications
Authors: Andrey Ten | Christina Boukouvala | V. I. Lomonosov | Emilie Ringe
Source: Nanoscale Horizons (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Colloidal synthesis and etching yield monodisperse plasmonic quasi-spherical Mg nanoparticles Mg is a low-cost, earth-abundant, and biocompatible plasmonic metal. Fine tuning of its optical response, required for successful light-harvesting applications, can be achieved by controlling Mg nanoparticle size and shape. Mg's hexagonal close packed crystal structure leads to the formation of a variety of unique shapes in colloidal synthesis, ranging from single crystalline hexagonal platelets to twinned rods. Yet, shape control in colloidal Mg nanoparticle synthesis is challenging due to complex nucleation and growth kinetics. Here, we present an approach to manipulate Mg nanoparticle shape by one-pot synthesis followed by colloidal etching with polycyclic aromatic hydrocarbons. We demonstrate how tips and edges in faceted Mg nanoparticles can be preferentially etched to produce quasi-spherical nanoparticles with smooth surfaces. The developed approach provides an essential shape control tool in colloidal Mg synthesis potentially applicable to other oxidising metals. Dispersity ; Materials science ; Nanoparticle ; Plasmon ; Nanotechnology ; Etching (microfabrication) ; Colloid ; Yield (engineering) ; Chemical engineering ; Polymer chemistry ; Optoelectronics ; Composite material ; Engineering Gold and Silver Nanoparticles Synthesis and Applications ; Laser-Ablation Synthesis of Nanoparticles ; Copper-based nanomaterials and applications
Authors: Rajesh Vanshpati | Anurag Kumar Tiwari
Source: Korean Journal of Chemical Engineering (article, 2025-07-26)
Field: Materials Science — Materials Chemistry

The Critical Role of Chemical Activation in Synthesizing High-Performance Porous Activated Carbon: Turning Waste into Wealth Activated carbon ; Porosity ; Chemistry ; Catalysis ; Chemical engineering ; Waste management ; Materials science ; Adsorption ; Organic chemistry ; Engineering Catalytic Processes in Materials Science ; Supercapacitor Materials and Fabrication ; Zeolite Catalysis and Synthesis
Authors: Vladimir G. Ilkin | Ilya D. Gridnev | Михаил С. Новиков | P. S. Silaichev | Tetyana Beryozkina | Павел А. Слепухин | Wim Dehaen | Vasiliy А. Bakulev
Source: The Journal of Organic Chemistry (article, 2025-02-06)
Field: Chemistry — Organic Chemistry

Reactions of Thioamides with Iminoiodinanes: An Approach toward 1,2-Thiazines, Thiophenes, and Sulfonylisothiazolines Transition metal-catalyzed and noncatalytic reactions of acrylic thioamides with <i>N</i>-sulfonyliminoiodinanes enabling the selective synthesis under mild conditions of a series of fully decorated S- and N,S-containing heterocycles are described. Fine-tuning of the thioamide structure allows selective preparation in good yields of ortho-fused thiophenes, 1,2-thiazines, and spiro-fused isothiazolines. A one-pot thermally induced rearrangement of sulfonylisothiazolines was discovered as a complementary route to thiophenes. Chemistry ; Combinatorial chemistry ; Computer science Synthesis and Catalytic Reactions ; Synthesis and Reactivity of Sulfur-Containing Compounds ; Synthesis of heterocyclic compounds
Authors: Giorgi Kobidze | Giorgia Sprega | Tamari Matsiashvili | F. Lo Faro | Giuseppe Basile | Paola Peluso | Tivadar Farkas | Francesco Paolo Busardò | Bezhan Chankvetadze
Source: Analytical Chemistry (article, 2025-08-11)
Field: Chemistry — Spectroscopy

Isotope Effects in High-Performance Liquid Chromatography: First Baseline Separation of Isotopomers on Achiral and Chiral Columns In this study, the feasibility of very challenging separation of isotopomers by high-performance liquid chromatography in a common setup is successfully demonstrated with the examples of deuterated amphetamine and methamphetamine. Understanding the effect of various factors, such as analyte structure, location of heavy atoms within the structure, separation mode (i.e., surface chemistry of the stationary phase), mobile phase components and their additives, pH of the mobile phase, and separation temperature, that enabled baseline separation of isotopomers with high selectivity is discussed. The results reported here are significant for both the analytical separation of isotopomers and their preparative-scale separation. The understanding and fine-tuning of the mechanisms underpinning isotopomer retention and discrimination enabled the reversal of isotopomer elution order on specific chiral columns. The simultaneous separation of isotopomers and their enantiomers was observed on polysaccharide-based chiral columns. Molecular modeling was used to provide a reasonable explanation of the separation mechanism of the isotopomers. Isotopomers ; Chemistry ; Enantiomer ; Chromatography ; Analyte ; Selectivity ; Deuterium ; Elution ; Phase (matter) ; High-performance liquid chromatography ; Analytical Chemistry (journal) ; Organic chemistry ; Catalysis ; Molecule Analytical Chemistry and Chromatography ; Mass Spectrometry Techniques and Applications ; Chemical Reactions and Isotopes
Authors: Yu‐Hao Gu | Xinyu Xu | Shuai Yuan
Source: Chemistry - A European Journal (article, 2025-02-05)
Field: Materials Science — Materials Chemistry

Protonation of Nitrogen‐Containing Covalent Organic Frameworks for Enhanced Catalysis Covalent organic frameworks (COFs) are a class of porous crystalline materials with ordered structures and tunable properties, which have been widely explored in catalysis, sensing, gas storage, and separation. Among various post-synthetic modifications, protonation emerges as a simple yet effective strategy to fine-tune the properties of nitrogen-containing COFs, thereby enhancing their catalytic performance. This concept article highlights the contribution of protonation on the mass transfer kinetics, charge distribution, photo-response, charge transfer, and other properties related to photocatalysis and electrocatalysis. The applications of protonated COFs are explored in catalytic processes including hydrogen evolution, CO<sub>2</sub> reduction, H<sub>2</sub>O<sub>2</sub> synthesis, and singlet oxygen generation. We also emphasize the necessity of considering the protonation process when nitrogen-containing COFs are applied in acidic environments to accurately reveal the structure-activity relationship. By analyzing recent advancements in protonated COFs, this article underscores the potential and challenges of protonation as a powerful tool for advancing COF-based catalytic systems. Protonation ; Catalysis ; Singlet oxygen ; Chemistry ; Electrocatalyst ; Covalent bond ; Photocatalysis ; Nitrogen ; Nanotechnology ; Photochemistry ; Combinatorial chemistry ; Materials science ; Oxygen ; Organic chemistry ; Physical chemistry ; Electrode ; Ion ; Electrochemistry Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications