jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Danlei Hu | Zhiwei Liang | Yaoyao Zhang | Aoxue Zhang | Musa Ibn Abbas | Shuyu Xie | Dongmei Chen
Source: One Health Advances (article, 2025-12-16)
Field: Chemistry — Inorganic Chemistry

Metal‒organic frameworks for on-demand drug release and precision drug delivery Abstract Metal‒organic frameworks (MOFs) are porous materials that combine high stability, large surface areas, excellent porosity, and low toxicity. The rapid development of these drugs has opened new opportunities to enhance drug efficacy with reduced adverse effects. To enhance the pharmacological effects of poorly soluble, easily degraded, low-permeability drugs can be covalently bound, adsorbed, or encapsulated in MOF nanopores. This strategy prevents premature release during transport and allows release at the target site, triggered by bond breakage or MOF structure collapse in pathological microenvironments, together with surface functional modifications. In this review, we initially summarize the antibacterial capabilities, easy functional modifications, and flexible structural properties of MOFs, as well as the standard classification of MOFs for drug delivery and their synthesis methods. We subsequently discuss functional modifications for active targeting and several pathological responsiveness tactics for targeted drug delivery, including the pH response, ion response, ATP response, redox response, magnetic reactivity, and light response. Finally, the incumbent challenges and future directions of the use of MOFs for drug delivery are proposed. This review aims to help researchers more clearly understand the properties and stimulus‐responsive mechanisms of MOFs to design more effective and targeted nanosystems for drug delivery. Drug delivery ; Drug ; Targeted drug delivery ; Drug development ; Mechanism (biology) ; Biocompatible material Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Multicomponent Synthesis of Heterocycles
Authors: Edyta Hebda | Kazimierz Wróbel | Aleksandra Cieślik | Kinga Szołdrowska | Jan Ozimek | Paulina Zając | Konstantinos N. Raftopoulos | Krzysztof Pielichowski
Source: Molecules (article, 2025-07-10)
Field: Chemistry — Organic Chemistry

Structurally Ordered NIPUs via Catalyst-Free Synthesis with Hard Segments Based on Erythritol and a Long-Chain Diamine A series of linear isocyanate-free polyurethanes (NIPUs) were obtained via the aminolysis of erythritol dicarbonate (EDC) with polyethers (diamino-PEG, diamino-PPO, and diamino-PEG/PPO) and 1,12-diaminododecane (DADD), which acts as a chain extender to form hard segments. The obtained NIPUs contained different concentrations of DADD relative to the polyether (72.5-80 wt%). A detailed chemical structure analysis of the synthesized NIPU was performed using a combination of FTIR and <sup>1</sup>H NMR. FTIR spectra confirmed that the EDC/DADD segments formed a network of hydrogen bonds. This is reflected in WAXD diffractograms showing ordered crystalline domains originating in DADD. The reflections assigned to the EDC/DADD segments exhibited changes in their position and intensity with decreasing concentration, indicating an increase in interplanar spacing and a loss of higher-order order. WAXD also showed that the soft segments of PEG and PEG/PPO retain their ordered crystal structure regardless of the EDC/DADD content. At a larger length scale, SAXS revealed similar micromorphology for the different polyethers, with a broad peak indicating long-range order in the EDC/DADD-rich segments and a weak separation of the soft and hard phases. DSC analyses confirmed the complex phase behavior, where the PEG-based materials showed melting of crystalline fragments, and the amorphous PPO showed a glass transition. DMA indicated the stability of the glass transition temperature in the PPO samples and the presence of an unusual structural transition. The results emphasize the influence of the type of poly(ether) on the thermal and microphase properties of the studied non-isocyanate polyurethanes. Erythritol ; Diamine ; Catalysis ; Chain (unit) ; Chemistry ; Organic chemistry ; Biochemistry ; Physics Chemical Synthesis and Reactions ; Carbon dioxide utilization in catalysis ; Sulfur-Based Synthesis Techniques
Authors: Piotr Banachowicz | Antoni Powała | Kitti Franciska Szabó | Oksana Danylyuk | Dorota Gryko
Source: ChemRxiv (article, 2025-08-14)
Field: Chemistry — Organic Chemistry

ZINCKE IMINE-BASED PERIPHERAL EDITING OF 2-ARYLPYRIDINES TO ACCESS C3-ACYLPYRIDINES Skeletal and peripheral editing of pyridines is a powerful strategy for late-stage functionalisations of N-heterocycles, in particular pyridines. While pyridines inherently exhibit high reactivity at the C2 and C4 positions due to their electronic structure, functionalization at the C3 position is significantly more challenging and less explored. Herein, we report a distinct dearomatization–rearomatisation strategy that transforms 2-substituted pyridines into synthetically challenging 3-acylpyridines via an unprecedented rearrangement of a Zincke imine. This intermediate first undergoes a regioselective formylation followed by an isomerisation–hydrolysis cascade to deliver the desired pyridine derivatives in good to excellent yields. Notably, an operationally simple one-pot variant circumvents the need to isolate Zincke imines –a bottleneck in related methodologies. In contrast to traditional electrophilic formylation, our strategy proceeds under mild conditions and exhibits high selectivity for the electron-deficient triene fragment, leaving electron-rich aromatic motifs untouched. Business ; Computer science Nanomaterials for catalytic reactions ; Asymmetric Hydrogenation and Catalysis ; Catalytic Cross-Coupling Reactions
Authors: Shengrong Yan | Songhu Shi | Wenhao Liu | Fang Duan | Shuanglong Lu | Mingqing Chen
Source: Catalysts (article, 2025-06-03)
Field: Materials Science — Materials Chemistry

Isomeric Anthraquinone-Based Covalent Organic Frameworks for Boosting Photocatalytic Hydrogen Peroxide Generation Utilizing isomeric monomers to construct covalent organic frameworks (COFs) could easily and precisely regulate their structure in order to raise the photocatalytic performance towards two-step single-electron oxygen reduction reaction (ORR) to hydrogen peroxide (H2O2). Herein, isomeric anthraquinone (AQ)-based COFs (designated as 1,4-DQTP and 2,6-DQTP) were successfully fabricated through a simple yet effective one-step solvothermal synthesis approach, only utilizing isomeric monomers with alterations in the catalysts. Specifically, the black 1,4-DQTP displayed a high photocatalytic H2O2 production rate of 865.4 µmol g−1 h−1, with 2.44-fold enhancement compared to 2,6-DQTP (354.7 µmol g−1 h−1). Through a series of experiments such as electron paramagnetic resonance (EPR) spectroscopy and the free radical quenching experiments, as well as density functional theory (DFT) calculations, the photocatalytic mechanism revealed that compared with 2,6-DQTP, 1,4-DQTP possessed a stronger and broader visible light absorption capacity, and thus generated more photogenerated e−-h+ pairs. Ultimately, more photogenerated electrons were enriched on the AQ motif via a more apparent electron push–pull effect, which provided a stable transfer channel for e− and thus facilitated the generation of superoxide anion radical intermediates (•O2−). On the other hand, the negative charge region of AQ’s carbonyl group evidently overlapped with that of TP, indicating that 1,4-DQTP had a higher chemical affinity for the uptake of protons, and thus afforded a more favorable hydrogen donation for H+. As a consequence, the rational design of COFs utilizing isomeric monomers could synergistically raise the proton-coupled electron transfer (PCET) kinetics for two-step single-electron ORR to H2O2 under visible light illumination. This work provides some insights for the design and fabrication of COFs through rational isomer engineering to modulate their photocatalytic activities. Hydrogen peroxide ; Anthraquinone ; Photocatalysis ; Chemistry ; Boosting (machine learning) ; Covalent bond ; Photochemistry ; Combinatorial chemistry ; Organic chemistry ; Computer science ; Catalysis ; Artificial intelligence Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Oxidative Organic Chemistry Reactions
Authors: M. J. Robles‐Águila | José A. Reyes-Avendaño | R. Silva‐González | José Manuel Bravo-Arredondo
Source: Journal of Inorganic and Organometallic Polymers and Materials (article, 2025-10-02)
Field: Chemistry — Inorganic Chemistry

Green Synthesis of Mn-MOFs with Tunable Optical and Structural Properties Through Ligand Functionality and Framework Design Abstract Four manganese-based metal–organic frameworks (Mn-MOFs) were synthesized via a rapid, green ultrasound-assisted aqueous method using fumarate (FA), succinate (SA), malate (MA), and tartrate (TA) as biogenic C4-dicarboxylate ligands. Their physicochemical properties were systematically characterized by PXRD, SEM-EDS, FTIR, Raman, TGA-DTA, DRS, and PL spectroscopy. PXRD confirmed that Mn-FA, Mn-SA, and Mn-TA crystallize in monoclinic systems while Mn-MA adopts a triclinic phase with reduced crystallinity, where crystallite sizes ranged from 19.9 to 28.1 nm. FTIR and Raman corroborated metal–carboxylate coordination through characteristic νₐₛ(COO⁻)/νₛ(COO⁻) shifts, along with ligand-specific bands such as C = C at 1660 cm⁻¹ in Mn-FA and O–H vibrations (3200–3400 cm⁻¹) in Mn-MA and Mn-TA. SEM images exhibited irregular polyhedra (Mn-FA), hexagonal prisms (Mn-SA), rounded grains (Mn-MA), and irregular aggregates (Mn-TA) with particle sizes between 0.49 and 7.93 μm. EDS confirmed the presence of Mn and ligand-derived elements. TGA-DTA revealed a clear trend in thermal stability: Mn-FA decomposed around 390 °C, whereas Mn-MA degraded earlier at 290 °C due to ligand rigidity. UV–Vis DRS showed direct optical band gaps ranging from 3.5 eV (Mn-FA) to 5.4 eV (Mn-MA), modulated by linker conjugation and symmetry, while PL spectra indicated UV emission maxima at 360–380 nm depending on the coordination environment and framework order. Overall, ligand identity dictates Mn-MOF structural symmetry, thermal robustness, and optical transitions. Therefore, Mn-FA with a low band gap, high thermal stability, and visible-light activity holds potential for optoelectronic and photocatalytic applications. This water-based sonochemical synthesis presents an efficient route to tunable, multifunctional Mn-MOFs with tailored properties for advanced materials design. Triclinic crystal system ; Monoclinic crystal system ; Crystallite ; Ligand (biochemistry) ; Raman spectroscopy ; Powder diffraction ; Tartrate ; Photocatalysis ; Fourier transform infrared spectroscopy Metal-Organic Frameworks: Synthesis and Applications ; Gas Sensing Nanomaterials and Sensors ; Magnesium Oxide Properties and Applications
Authors: Lan Zhang | Zhihua Deng | Bin Miao | Hongquan He | Chee Kok Poh | Lili Zhang | Siew Hwa Chan
Source: Catalysts (article, 2025-04-14)
Field: Materials Science — Materials Chemistry

Aqueous Gel-Casting Synthesis and the Characterization of Cobalt Oxide as a Catalyst Precursor for Sodium Borohydride Hydrolysis Aqueous gel-casting provides a cost-effective and scalable approach for synthesizing nano-spherical Co3O4 powders, enabling precise control over particle morphology. In this study, Co3O4 powders were prepared using this method and evaluated as a catalyst precursor for the hydrolysis of sodium borohydride (NaBH4). The effects of the monomer (acrylamide, AM)-to-metal molar ratio and initiator content (ammonium persulphate, APS) on particle size and catalytic performance were systematically explored. X-ray diffraction (XRD) analysis confirmed the formation of the Co3O4 phase at 400 °C, while transmission electron microscopy (TEM) images revealed particle sizes ranging from 16 to 85 nm, with higher AM and APS concentrations promoting finer particles. The optimized catalyst achieved a high hydrogen generation rate (HGR) of 28.13 L min−1·cat.−1, demonstrating excellent catalytic activity. Moreover, in situ-formed cobalt boride, derived from Co3O4 calcined at 600 °C for 2 h, exhibited an activation energy of 51.81 kJ mol−1, comparable to Ru-based catalysts. This study underscores the aqueous gel-casting technique as a promising strategy for synthesizing efficient and low-cost hydrogen generation catalysts, offering an alternative to noble metal-based materials. Sodium borohydride ; Catalysis ; Hydrolysis ; Cobalt ; Aqueous solution ; Chemistry ; Cobalt oxide ; Characterization (materials science) ; Inorganic chemistry ; Nuclear chemistry ; Materials science ; Organic chemistry ; Nanotechnology Hydrogen Storage and Materials ; Catalysis and Hydrodesulfurization Studies ; Nuclear Materials and Properties
Authors: Shuicai Chen | Qiuzhan Huang | Xiaoyu Ren | Zhen Guo | Chengming Wang | Cong‐Ying Zhou
Source: Tetrahedron Chem (article, 2025-06-07)
Field: Chemistry — Organic Chemistry

Recent advances in asymmetric [2+1] cycloaddition with α-cyano diazo compounds <h2>Abstract</h2> The asymmetric [2+1] cycloaddition of α-cyano diazo compounds has emerged as an efficient and versatile strategy for synthesizing cyano-substituted cyclopropanes, which are valuable scaffolds in medicinal chemistry, materials science, and natural product synthesis. The unique electrophilicity and planar conjugation of cyano-substituted carbenes have enabled highly selective [2+1] cycloaddition reactions with a wide range of substrates, including alkenes, alkynes, allenes, and aromatic compounds. Recent advancements in catalyst design, particularly the use of dirhodium(II) complexes, cobalt(II) porphyrins, and biocatalysts like engineered myoglobin, have achieved remarkable levels of enantioselectivity and diastereoselectivity. These methodologies have not only expanded the synthetic scope but also revealed mechanistic insights into carbene transfer reactions, such as the influence of π–π stacking and hydrogen bonding on stereoselectivity. Despite these successes, challenges remain in addressing substrate limitations, enhancing reaction efficiency under mild and sustainable conditions, and exploring new applications in drug discovery and beyond. This review highlights the latest developments in this field, providing a foundation for future research into the design of novel catalytic systems and the broader utilization of α-cyano diazo compounds in synthetic organic chemistry. Diazo ; Cycloaddition ; Chemistry ; Combinatorial chemistry ; Stereochemistry ; Organic chemistry ; Catalysis Cyclopropane Reaction Mechanisms ; Synthesis and Catalytic Reactions ; Asymmetric Synthesis and Catalysis
Authors: Arup Tarai | Tanmoy Pain | Subhajit Kar | Rupak Chakraborty | Sanjib Kar
Source: Chemical Communications (review, 2025-01-01)
Field: Materials Science — Materials Chemistry

Exploring the multifaceted applications of antimony(<scp>iii</scp>/<scp>v</scp>) corrole complexes Tetrapyrrolic macrocycles coordinated to redox-active main-group elements, particularly from groups 14 and 15, have emerged as efficient photocatalysts for substrate oxidation under ambient conditions. Among group 15 elements, antimony commonly adopts +III and +V oxidation states and forms stable high-valent complexes with porphyrinoid ligands such as corroles, which readily accommodate diverse axial ligands (<i>e.g.</i>, O-, N-, and S-donors). Antimony corrole complexes exhibit considerable promise across diverse fields, including catalysis, biomedicine, and advanced dielectric and optoelectronic applications. The oxidation state of antimony plays a crucial role in modulating key reactivities such as photo- and electrochemical C-H bond activation, hydrogen evolution, and triplet-to-singlet oxygen conversion. The generation of singlet oxygen, a highly reactive species, underpins their use in catalytic oxidation and photodynamic therapy. Additionally, the tunable electronic structures of these complexes render them attractive candidates for next-generation optoelectronic and dielectric materials. This review highlights the multifunctionality of antimony corroles, encouraging further exploration of structural modifications to expand their application landscape. Corrole ; Antimony ; Redox ; Chemistry ; Substrate (aquarium) ; Group (periodic table) ; Photochemistry ; Combinatorial chemistry ; Inorganic chemistry ; Organic chemistry Porphyrin and Phthalocyanine Chemistry ; Electrocatalysts for Energy Conversion ; Molecular Junctions and Nanostructures
Authors: Nadhirah Ghazali | Ahmad Zafir Romli | Tengku Fazrina Tengku Mohd Ariff
Source: Compendium of Oral Science (review, 2025-03-01)
Field: Materials Science — Biomaterials

Application of Silicone Elastomers in Extraoral Prosthesis: A Narrative Review Objectives: The purpose of this article is to review the silicone system based on the various varieties of silicone available on the market, including classification and its properties. In addition, this article looks at the recent advancement of silicone in digital workflow as it relates to the application of extraoral prosthesis, thereby providing an overview and a guidance for practicing clinicians. Materials and Methods: Electronic literature search was conducted using the PubMed and Scopus databases. There were no restrictions placed on the publication date up until December 2022. Following MeSH term keywords were used: ‘silicone’, ‘maxillofacial prosthesis’, ‘extraoral prosthesis’ Only relevant studies published in English journal articles are included and analysed in this review article. Results: Silicone is an unique inorganic polymer chains. Due to its unique chemical structure, silicone exhibit skin-like elasticity, resistance to heat, biocompatibility, as well as translucency, making it suitable for fabrication of extraoral prosthesis despite its shortcomings. Several physical and mechanical properties of silicone should be taken into consideration. Conclusion: The properties of silicone and its application in extraoral prosthesis, including its limitations, material considerations, and manufacturing obstacles, have been discussed. High Temperature Vulcanisation (HTV) and Room Temperature Vulcanisation (RTV) silicone are the two primary classifications for extraoral prosthesis applications. As far as is known, there are five major manufacturers of silicone for extraoral prosthesis fabrication. Silicone has considerable potential for future incorporation into digital workflows via additive manufacturing processes. Silicone ; Elastomer ; Prosthesis ; Silicone Elastomers ; Materials science ; Dentistry ; Polymer science ; Composite material ; Medicine ; Surgery Electrospun Nanofibers in Biomedical Applications ; Reconstructive Facial Surgery Techniques ; Silk-based biomaterials and applications
Authors: Marlena Bytniewska | Kacper Latusek | Maria Powęzka | Marcin Kuśmierz | Oliwia Kapusta | Mariusz Barczak
Source: Molecules (article, 2025-07-16)
Field: Materials Science — Materials Chemistry

Ultraporous Amine-Functionalized Organosilicas: Tuning Morphology and Surface Chemistry for Adsorption Applications Highly porous organosilicas were synthesized via direct co-condensation of two monomers, bis (triethoxysilyl) benzene and aminopropyltriethoxysilane, by adjusting the time between consecutive additions of the monomers and the ageing time of the as-obtained samples. The resulting organosilicas exhibited high porosities, with total pore volumes exceeding 2.2 cm<sup>3</sup>/g. Alongside detailed insights into the morphology, structure, and surface chemistry via a broad spectrum of various instrumental techniques, the obtained ultraporous amine-functionalized organosilicas were tested as adsorbents of diclofenac sodium, chosen here as a model drug. The results revealed remarkable differences in the physicochemical properties and adsorption efficiencies among the obtained samples, confirming that the time gap between the addition of the monomers and ageing time can be used to tune the morphological, structural, and chemical features of the obtained organosilicas and, as a consequence, their sorption efficiencies. Adsorption ; Monomer ; Sorption ; Chemistry ; Silsesquioxane ; Chemical engineering ; Benzene ; Porosity ; Organic chemistry ; Materials science ; Polymer Mesoporous Materials and Catalysis ; Membrane Separation and Gas Transport ; Adsorption and biosorption for pollutant removal
Source:  (article, 2025-01-01)
Field: Materials Science — Polymers and Plastics

Graphene oxide-polymer nanofibrous composites Graphene oxide-polyvinyl alcohol (GO-PVS) nanofiber composites represent an attractive combination of materials science and physics.These advanced materials perfectly combine the remarkable properties of graphene oxide (GO) with the versatile and biophysical properties of polyvinyl alcohol (PVA).The synergistic interaction of these components has generated great interest in the fields of materials science and physics.This review highlights the complex manufacturing processes, unique properties, and rigorous electrical analyzes used to explore the fascinating world of GO-PVA nanofiber composites at the intersection of materials science and physics. Graphene ; Nanofiber ; Intersection (aeronautics) ; Oxide ; Polyvinyl alcohol ; Advanced composite materials Polymer Nanocomposite Synthesis and Irradiation ; Electrospun Nanofibers in Biomedical Applications ; Graphene and Nanomaterials Applications
Authors: Zarina A. Kenessova | Zhansaya Urkimbayeva | Assel Toktabayeva | Galiya S. Irmukhametova | Perizat Urkimbaeva | Raikhan Rakhmetullayeva
Source: International Journal of Polymer Science (article, 2025-01-01)
Field: Materials Science — Biomaterials

Synthesis and Characterization of PVA/Modified Starch/Acrylic Acid–Based Biocomposite Films In this study, polymer films based on polyvinyl alcohol (PVA), modified starch, and acrylic acid (AA) were synthesized and characterized. For the first time, this work investigates the synergistic effect of incorporating AA into films based on PVA and preirradiated starch. Unlike conventional approaches that rely on simple blending of PVA and starch, the use of AA as a functional monomer enables the formation of a chemically cross‐linked structure, where the carboxyl groups of AA establish additional hydrogen and covalent bonds with the hydroxyl groups of PVA and starch, as confirmed by FTIR spectroscopy. Furthermore, this study employs starch that has been pretreated with electron beam irradiation, which enhances component compatibility and improves the mechanical and thermal properties of the films. A comprehensive analysis of the main physicochemical properties of the films showed that increasing the AA content led to a rise in gel fraction yield from 67.4% to 86.2%, indicating a denser cross‐linked polymer network. Thermogravimetric analysis demonstrated improved thermal stability with increasing AA content, with the decomposition temperature reaching up to 450°C and total mass loss reduced to 50%. Mechanical testing revealed a significant enhancement in strength and elasticity: The tensile strength increased from 300 to 500 kPa, and the Young’s modulus increased from 0.3897 to 0.5514 kPa. The obtained results suggest that PVA/starch/AA films hold great potential as a promising material for biodegradable packaging applications. Starch ; Thermogravimetric analysis ; Biocomposite ; Materials science ; Acrylic acid ; Polymer ; Thermal stability ; Ultimate tensile strength ; Polyvinyl alcohol ; Monomer ; Chemical engineering ; Polymer chemistry ; Fourier transform infrared spectroscopy ; Modified starch ; Nuclear chemistry ; Composite material ; Composite number ; Organic chemistry ; Chemistry biodegradable polymer synthesis and properties ; Nanocomposite Films for Food Packaging ; Electrospun Nanofibers in Biomedical Applications