jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mohammad Javad Emami | Jafar Towfighi Darian | Farshid Sobhani Bazghaleh | Masoud Safari Yazd
Source: Scientific Reports (article, 2025-08-12)
Field: Chemistry — Inorganic Chemistry

Green synthesis of SAPO-34 via dual bio-templates for enhanced catalytic performance in MTO reaction This study explores the methanol-to-olefins (MTO) performance of three SAPO-34 catalysts: SP (conventional), SPG1 (green, synthesized with okra mucilage as a hard template), and SPG (green, synthesized using a dual-template method with brewed coffee and okra mucilage). The dual-template strategy in SPG promotes the formation of a hierarchical micro-mesoporous structure, resulting in enhanced catalytic behavior. Structural and physicochemical characterizations (XRD, FT-IR, FESEM, EDS, N<sub>2</sub> adsorption-desorption, and NH<sub>3</sub>-TPD) confirm that SPG possesses smaller crystallites, higher mesoporosity, and moderated acidity compared to SP and SPG1. These features contribute to superior total olefin selectivity (89.8% at 240 min), higher ethylene selectivity (53.8%), lower propylene-to-ethylene (P/E) ratio, and improved catalyst stability. Furthermore, SPG exhibits reduced coke formation and better mass transport properties due to its tailored porosity. The utilization of renewable bio-templates not only enhances performance but also aligns with sustainable catalyst design. Overall, the SPG catalyst demonstrates significant potential for efficient and eco-friendly MTO processes. Catalysis ; Selectivity ; Mesoporous material ; Chemical engineering ; Olefin fiber ; Ethylene ; Methanol ; Mucilage ; Template ; Materials science ; Porosity ; Chemistry ; Organic chemistry ; Nanotechnology Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Jairo Rondón | Angel González-Lizardo | Claudio Lugo
Source: ArXiv.org (preprint, 2025-01-22)
Field: Materials Science — Materials Chemistry

Catalytic Nanoparticles: An Introduction This study explores the transformative potential of nanocatalysts, emphasizing their pivotal role in catalysis and material science. Key synthesis techniques, including chemical reduction and hybrid methods, are highlighted for their ability to control particle size and enhance stability. Applications in environmental remediation, fuel quality improvement, and renewable energy showcase the broad impact of nanocatalysts. Despite challenges in scalability and stabilization, advancements in bimetallic configurations and electro-steric approaches demonstrate significant progress. This research underscores nanocatalysts' promise for sustainable industrial processes and global challenges. Nanoparticle ; Catalysis ; Nanotechnology ; Computer science ; Materials science ; Chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Nanomaterials for catalytic reactions
Authors: Ting Ying | Xin‐Wei Shi | Chengqing Yi | Jian Hu | Dejian Li | Rui Zhu | Xiaojing Yao
Source: Nano Research (article, 2025-04-30)
Field: Materials Science — Materials Chemistry

Unveiling the cutting-edge innovations in single atom catalysts: Preparation, mechanism, performance, and applications As pioneering materials, single atom catalysts (SACs) have demonstrated exceptional potential across a plethora of domains ranging from biomedicine to energy conversion, environmental preservation, and marine energy. The comprehensive review delves into the latest research advancements in the practical applications of SACs, meticulously dissecting their underlying principles, distinctive features, and versatile applications. Tailoring their operational paradigms to suit diverse application contexts, we elaborate on the operational mechanisms of SACs, accentuating their unparalleled catalytic efficacy and structural resilience. The review systematically delineates the design strategies for various SAC variations, encompassing prevalent materials alongside tactics to fortify their adaptability to environmental conditions and ensure enduring operational stability. Delving further, we scrutinized the potential domains, where SACs<strong><em> </em></strong>demonstrate breakthrough potential in biomedical targeted therapy, efficient energy electrocatalysis, and the deep degradation of pollutants by maximizing atomic utilization and controlling the coordination microenvironment. Conclusively, we deliberate on the challenges confronting SACs with regards to their catalytic prowess, proposing future trajectories and methodologies to amplify their ubiquitous deployment and further refine their efficacy in real-world applications. Catalysis ; Enhanced Data Rates for GSM Evolution ; Mechanism (biology) ; Atom (system on chip) ; Nanotechnology ; Materials science ; Chemical engineering ; Chemistry ; Computer science ; Physics ; Engineering ; Organic chemistry ; Embedded system ; Telecommunications Catalytic Processes in Materials Science ; Electrocatalysts for Energy Conversion ; Advanced Materials Characterization Techniques
Authors: Jan Hočevar | Jernej Iskra | Estelle Léonard
Source: Molecules (review, 2025-06-06)
Field: Materials Science — Materials Chemistry

Phenolic Azobenzene as Ligand for Cation Complexation—Syntheses and Applications Phenolic azobenzenes have garnered significant attention as functional materials due to their ability to undergo reversible photoisomerization and their potential for cation complexation. This review aims to provide a comprehensive overview of the recent developments in the synthesis, properties, and applications of phenolic azobenzene derivatives in cation binding and complexation. This article explores various synthetic strategies for the preparation of phenolic azobenzenes. Additionally, the mechanisms of cation complexation, including the role of the phenolic hydroxyl group and the azobenzene scaffold, are discussed, along with insights into the coordination chemistry involved. This review further examines the diverse applications of phenolic azobenzene complexes in fields such as ion sensing, catalysis, and biological and DSSC applications. Azobenzene ; Photoisomerization ; Chemistry ; Combinatorial chemistry ; Ligand (biochemistry) ; Catalysis ; Organic chemistry ; Molecule ; Isomerization Photochromic and Fluorescence Chemistry ; Radical Photochemical Reactions ; Molecular Sensors and Ion Detection
Authors: Peixin Liu | You‐Xuan Zheng | Zejiang Liu | Zhiyao Yang | Ziying Lu | X. Ai | Zecong Ye | Cheng Yang | Xiaowei Li | Lihua Yuan
Source: Materials (article, 2025-01-05)
Field: Materials Science — Materials Chemistry

Shape-Persistent Tetraphenylethylene Macrocycle: Highly Efficient Synthesis and Circularly Polarized Luminescence Circularly polarized luminescence (CPL) is an emerging field with significant applications in molecular electronics, optical materials, and chiroptical sensing. Achieving efficient CPL emission in organic systems remains a major challenge, particularly in the development of materials with high fluorescence quantum yields (Φ<sub>F</sub>) and large luminescence dissymmetry factors (g<sub>lum</sub>). Herein, we report the efficient synthesis of shape-persistent tetraphenylethylene macrocycles and investigate its potential as a CPL material. Chiral side chains were introduced to induce chiroptical properties. The macrocycles and their properties were characterized using NMR, MALDI-TOF MS, FT-IR, TGA, DSC, UV-Vis spectroscopy, SEM, fluorescence spectroscopy, ECD, and CPL. A significant fluorescence enhancement was observed upon aggregation, demonstrating a typical aggregation-induced emission (AIE) behavior. Moreover, one of the macrocycles in the solid state displayed distinct CPL emission with a high g<sub>lum</sub> of 2 × 10<sup>-2</sup> and a Φ<sub>F</sub> value reaching 60%, and exhibited aggregation-induced circularly polarized luminescence (AICPL). These findings highlight the advantage of using a macrocycle with a noncollapsible backbone for the design of organic systems with CPL property, offering promising applications in chiroptical materials. Tetraphenylethylene ; Luminescence ; Fluorescence ; Materials science ; Aggregation-induced emission ; Fluorescence spectroscopy ; Photochemistry ; Spectroscopy ; Chemistry ; Optoelectronics ; Optics Luminescence and Fluorescent Materials ; Synthesis and Properties of Aromatic Compounds ; Molecular Sensors and Ion Detection
Authors: Víctor Cepa-López | Miguel Sánchez‐Fuente | Alicia Moya | Rubén Mas‐Ballesté
Source: Inorganics (article, 2025-05-06)
Field: Materials Science — Materials Chemistry

Recent Developments in the Use of Covalent Organic Frameworks for Photocatalytic Water Decontamination Water pollution by persistent organic and inorganic contaminants constitutes a significant problem for ecosystems and public health. Organic substances such as dyes, pharmaceutical residues, pesticides, and phenolic compounds are increasingly detected in water due to industrial and agricultural activities. Alongside these, toxic heavy metals contribute to the complexity of water treatment challenges. Conventional remediation methods often fall short due to high operational costs or limited efficiency. In this context, photocatalysis has emerged as a promising approach for pollutant degradation in water under light irradiation. In this sense, covalent organic frameworks (COFs), a class of porous, crystalline materials formed by the covalent linkage of organic units, offer great advantages as photocatalysts. Their tunable electronic properties, structural diversity, and high stability under aqueous conditions make them ideal for visible light-driven processes. This review explores the structural features that govern the photocatalytic activity of COFs, including conjugation, bandgap modulation, and donor–acceptor structures. Mechanistic insights into photocatalytic degradation are also discussed. Finally, examples of pre-designed COFs are presented with their application in the photodegradation of water pollutants, and their main reactive oxygen species (ROS) involved in the photodegradation mechanism. Overall, this review aims to provide a foundation for the rational design of COFs in advanced water treatment technologies. Human decontamination ; Photocatalysis ; Covalent bond ; Environmental science ; Business ; Nanotechnology ; Waste management ; Chemistry ; Materials science ; Engineering ; Organic chemistry Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Dong Lin | Xiang Feng | Yang Xu | Richard J. Lewis | Xiao Chen | Thomas E. Davies | Samuel Pattisson | Mark Douthwaite | Defu Yin | Qiuming He | Xiuhui Zheng | De Chen | Chaohe Yang | Graham J. Hutchings
Source: Nature Communications (article, 2025-07-01)
Field: Materials Science — Materials Chemistry

Radical-constructed intergrown titanosilicalite interfaces for efficient direct propene epoxidation with H2 and O2 The development of titianosilicates is considered a major milestone in oxidative catalysis due to the ability of framework Ti sites to co-ordinate hydrogen peroxide/peroxy species. Herein, we demonstrate that interfacial Ti sites can be constructed through the vertical intergrowth of two MFI-type zeolite surfaces along [100] and [010] projections, with the assistance of UV-induced hydroxyl radicals. The application of these intergrown titanosilicalites as supports for Au species are observed to simultaneously offer a 2.1-fold and 3.0-fold increase in propene oxide (PO) formation rate and Au efficiency, respectively, when compared to standard Au/TS-1 catalysts. Mechanistic studies reveal that the intergrown interface Ti sites allow for lower-energy epoxidation pathways with more efficient activation of key oxygen-transfer intermediates. These results provide insights into the development of zeolite intergrown interface sites (e.g., titanosilicalite/silicalite-1/ZSM-5) and may allow for further advancements in the epoxidation of a range of key feedstocks. Propene ; Catalysis ; Hydrogen peroxide ; Radical ; Oxide ; Chemistry ; Materials science ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Zeolite Catalysis and Synthesis
Authors: Yuyi Wang | Tao Shi | Ling Yue | Guijiang Zhou | Bochao Su
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Carbene-stabilized 6,12-diboraanthanthrenes: unveiling the multistage redox properties of polycyclic aromatic hydrocarbons featuring electron-rich boron centers Electronic manipulation of boron centers in polycyclic aromatic hydrocarbon (PAHs) frameworks often leads to unique redox and photophysical properties. Herein, we report the first isolation and redox investigation of carbene-stabilized 6,12-diboraanthanthrenes 3/4 with electron-rich boron centers. Combining experimental and theoretical studies confirms that 3/4 exhibits a closed-shell singlet ground state and strong global aromaticity. Oxidation of 3/4 with TEMPO led to the oxidized product 5. Furthermore, the reversible one or two-electron oxidation process for 3/4 has been confirmed by cyclic voltammetry. Sequential oxidation of 3/4 with AgSbF<sub>6</sub> results in the isolable radical monocations 6/7, and dications 8/9. The radical character of 6/7 is confirmed by multi-line EPR spectra, with the hyperfine coupling splitting mainly attributed to the two boron nuclei. As rare diboron-doped dicationic PAHs, 8/9 display bright yellowish fluorescence. Reduction of 3/4 with 2 equivalents of KC<sub>8</sub> leads to the formation of the dianionic species 10/11, where the carbene ligands are initially reduced and subsequently reconstructed, confirming the electron-rich nature of boron centers. Redox ; Carbene ; Boron ; Chemistry ; Polycyclic aromatic hydrocarbon ; Electron ; Photochemistry ; Combinatorial chemistry ; Computational chemistry ; Organic chemistry ; Physics ; Catalysis Organoboron and organosilicon chemistry ; Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials
Authors: Nguyen Xuan Phuong Vo | Thuy Phuong Ngo | Van Tri Tran | Ngoc Thuy Luong | Nguyen Le-Phuc | Van Chung Cao
Source: Catalysts (article, 2025-06-24)
Field: Chemistry — Inorganic Chemistry

Enhanced Hydrothermal Stability and Propylene Selectivity of Electron Beam Irradiation-Induced Hierarchical Fluid Catalytic Cracking Additives A cheap, environmentally friendly, easily scalable post-treatment of Na-ZSM-5 (Si/Al molar ratio = 20 or 30) via electron-beam irradiation to produce hierarchical H-ZSM-5 as a propylene-increasing fluid catalytic cracking additive was performed. Higher specific surface areas and highly accessible porous systems were obtained among the irradiated samples. A combination of 27Al, 1H magic angle spinning nuclear magnetic resonance and NH3-temperature-programmed desorption methods showed that upon irradiation, some of the framework’s tetrahedral Al atoms were removed as non-framework Al atoms via flexible coordination with Si-OH groups (either framework or non-framework defects), thus increasing the H-ZSM-5 acidity and stability during hydrothermal dealumination. The enhanced selectivity and stability toward propylene production over the irradiated H-ZSM-5 samples were attributed to the integration of the reserved population of medium acid sites into the highly accessible hierarchical network. N2 adsorption–desorption isotherm data showed that the Si-rich H-ZSM-5 samples possessed an obvious ink-bottle-shaped micro-mesopore network and a greater degree of disordered orientation of the straight pore systems toward the exterior surfaces. Micro-activity test data suggested that with an increasing Si/Al ratio, the H-ZSM-5 additives lost some extent of their cracking activity due to the constricted hierarchical pore network toward the exterior surface but gained more stability and selectivity for propylene due to the reserved medium acid sites. Selectivity ; Catalysis ; Hydrothermal circulation ; Chemical engineering ; Irradiation ; Materials science ; Fluid catalytic cracking ; Chemistry ; Organic chemistry Zeolite Catalysis and Synthesis ; Catalytic Processes in Materials Science ; Catalysis and Hydrodesulfurization Studies
Authors: Thaddäus J. Koller | Kristian Witthaut | Florian Wolf | Johannes N. Singer | Jakob Blahusch | Changyong Li | Vasiliki Valsamidou | Dirk Johrendt | Wolfgang Schnick
Source: Chemistry - A European Journal (article, 2025-02-11)
Field: Chemistry — Organic Chemistry

Pyrrolation of Melem: A Facile Gateway into the Field of Monomeric <i>s</i>‐Heptazine Chemistry Monomeric s-heptazines are an intriguing class of compounds with many attractive properties for various areas of application such as photocatalysis or organic light-emitting diodes. However, research into these properties has so far been challenging, as only a few synthetic routes for the preparation of monomeric s-heptazines are known in the literature. Furthermore, these few reported synthetic pathways generally require the use of specialized equipment that may not be available to all laboratories interested in studying monomeric s-heptazines. For this reason, a more accessible synthetic route for the preparation of monomeric s-heptazines has been developed in the course of this work. The central compound of this new approach is 2,5,8-tri(1H-pyrrol-1-yl)-s-heptazine, which could be conveniently synthesized via an acid catalyzed pyrrolation of melem with bench-stable 2,5-dimethoxytetrahydrofuran in a simple one-pot synthesis in air. This compound was shown to be a potent starting material for the synthesis of numerous other monomeric s-heptazines by reaction with both nucleophiles and electrophiles. The monomeric s-heptazines thus accessible were analyzed for their crystal structures by single crystal X-ray diffraction and for their optical properties by ultraviolet/visible and photoluminescence spectroscopy. Monomer ; Chemistry ; Electrophile ; Nucleophile ; Combinatorial chemistry ; Photocatalysis ; Nanotechnology ; Materials science ; Organic chemistry ; Catalysis ; Polymer Synthesis and Characterization of Heterocyclic Compounds ; Synthesis and Reactivity of Heterocycles ; Click Chemistry and Applications
Authors: Julia Głowacka | Miłosz Frydrych | Eliza Romańczuk-Ruszuk | Yi Gao | Hui Zhou | Robert E. Przekop | Bogna Sztorch
Source: Materials (article, 2025-06-19)
Field: Materials Science — Biomaterials

Dual-Functional Organosilicon Additives Containing Methacrylate and Trimethoxysilyl Groups Enhancing Impact Toughness of Polylactide (PLA): Structure–Property Relationship The demands of the green economy necessitate modern polymer materials that are not only environmentally friendly but also durable and capable of long service life. Bio-based polylactide (PLA) polyesters have gained significant traction in various industrial markets; however, their application in specialized sectors is hindered by high brittleness. This study extensively examines the effects of 1-5% of synthetically obtained tetracyclosiloxane (CS) and octaspherosilicate (OSS) derivatives with methacrylate (MA) and trimethoxysilyl (TMOS) groups as functional modifiers for PLA. The research provides a detailed characterization of PLA/CS and PLA/OSS materials, including a comparative analysis of mechanical properties such as tensile, flexural, and dynamic resistance. Notably, incorporating 5% CS-2MA-2TMOS into PLA resulted in a remarkable 104% increase in impact resistance. The study further evaluates the influence of these modifications on thermal properties (DSC, TGA), heat deflection temperature (HDT), and surface character (WCA). The miscibility between the organosilicon additives and PLA was assessed using oscillatory rheometry and SEM-EDS analysis. The melt-rheology analysis explained the mechanisms behind the interaction between the CS and OSS additives with the PLA matrix, highlighting their lubricating effects on the melt flow behavior. The study was complemented by XRD structural analysis and verification of the structure of PLA-based materials by optical microscopy and SEM analysis, demonstrating a plasticizing effect and uniform distribution of the modifiers. The findings strongly suggest that, even at low concentrations, organosilicon additives serve as effective impact modifiers for PLA. Organosilicon ; Methacrylate ; Toughness ; Materials science ; Composite material ; Polymer science ; Polymer chemistry ; Dual (grammatical number) ; Polymer ; Polymerization ; Art biodegradable polymer synthesis and properties ; Silicone and Siloxane Chemistry ; Polyoxometalates: Synthesis and Applications
Authors: Chaoqun Wang | Tong Wu | Yidi Li | Jie Liu | Yanshai Wang | Kefeng Wang | Yang Li | Xuefei Leng
Source: Polymers (article, 2025-04-10)
Field: Chemistry — Organic Chemistry

Study of Polyethylene Oxide-b-Poly(ε-caprolactone-ran-δ-valerolactone) Amphiphilic Architectures and Their Effects on Self-Assembly as a Drug Carrier Amphiphilic block copolymers with complex topologies (e.g., star and brush topologies) have attracted significant attention in drug delivery owing to their superior performance over linear micelles. However, their precise synthesis and structure-property relationships require further investigation. In this study, hydroxylated polybutadiene with adjustable topology and hydroxyl group density was employed as a macroinitiator to synthesize well-defined amphiphilic poly (ethylene oxide)-<i>b</i>-poly(<i>ε</i>-caprolactone-<i>ran</i>-<i>δ</i>-valerolactone) (PEO-<i>b</i>-P(CL-<i>ran</i>-VL)) copolymers via ring-opening polymerization (ROP). A series of linear, star, linear-comb, and star-comb copolymers were prepared as curcumin-loaded micellar carriers for the study. The self-assembly behavior, drug encapsulation efficiency, and in vitro release profiles of these copolymers in aqueous environments were systematically investigated. The results demonstrated that increasing the branch length of star-comb copolymers effectively reduced micelle size from 143 to 96 nm and enhanced drug encapsulation efficiency from 27.3% to 39.8%. Notably, the star-comb architecture exhibited 1.2-fold higher curcumin encapsulation efficiency than the linear counterparts. Furthermore, the optimized star-comb nanoparticles displayed sustained release kinetics (73.38% release over 15 days), outperforming conventional linear micelles. This study establishes a quantitative structure-property relationship between copolymer topology and drug delivery performance, providing a molecular design platform for programmable nanocarriers tailored to diverse therapeutic requirements of various diseases. Copolymer ; Amphiphile ; Materials science ; Micelle ; Caprolactone ; Nanocarriers ; Drug delivery ; Polymerization ; Ethylene oxide ; Chemical engineering ; Polymer chemistry ; Aqueous solution ; Nanotechnology ; Organic chemistry ; Chemistry ; Polymer ; Composite material Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Dendrimers and Hyperbranched Polymers