jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Sha Li | G. S. CHEN | Guangwei Luo | Shaowei Zhang | Hiroshi Shinokubo | Xiaofang Li
Source: Organic Letters (article, 2025-10-07)
Field: Chemistry — Organic Chemistry

Construction of Pyridine-Fused Azacorroles through Multicomponent-Coupling Strategy A facile and efficient protocol for the synthesis of π-extended azacorroles with a variety of fused-pyridine rings is described. A three-component one-pot reaction of 3-amino-5,15-dimesityl-10-azacorrolatonickel(II), 4-chlorobenzaldehyde, and 1,3-diketones in the presence of acetic acid at 110 °C and the subsequent <i>p</i>-chloranil oxidation furnished pyridine-fused azacorrole derivatives in moderate yields. This simple method provides an efficient approach for π-extension of azacorroles for fine-tuning of their electronic and photophysical properties. Employment of 3,17-diaminoazacorroles furnished the corresponding bisfused products. Acetic acid ; Variety (cybernetics) ; Simple (philosophy) ; Protocol (science) ; Catalysis ; Reaction conditions Multicomponent Synthesis of Heterocycles ; Synthesis and Characterization of Pyrroles ; Click Chemistry and Applications
Authors: Jingyi Feng | Yingzhen Wei | Xiao Li | Qifei Wang | Bolun Wang | Yunyu Guo | Binyao Feng | Enquan Jin | Jihong Yu
Source: Angewandte Chemie (article, 2025-06-10)
Field: Materials Science — Materials Chemistry

3D‐Printed COF/Zeolite Composites for Augmented Photocatalytic Hydrogen Peroxide Production Abstract Covalent organic frameworks (COFs), characterized by high porosity and fine‐tuned structures, are promising photocatalysts for hydrogen peroxide (H 2 O 2 ) production. However, their hydrophobic nature restricts the mass transfer in water, presenting challenges in achieving high performance. Coupling COFs with hydrophilic zeolites can potentially advance H 2 O 2 production, yet integrating these two distinct types of porous materials is challenging. Herein, we first applied 3D printing technology to fabricate COF/zeolite composite catalysts, which enabled superior photosynthesis of H 2 O 2 . By precisely optimizing binders and prepolymerization conditions, homogeneous inks composed of zeolite nanocrystals and initial polymeric precursors were prepared with appropriate rheology for 3D printing. The resultant monolith with honeycomb‐like open‐channels was favorable for the in‐situ growth and crystallization of COF by facilitating the efficient molecular transfer of condensing agents and large covalent segments during solvothermal post‐treatment. Mechanistic studies indicated that introducing zeolites enhanced the hydrophilicity and O 2 affinity within the composite, favoring the oxygen reduction reaction pathway. Consequently, the photosynthesis of H 2 O 2 by the COF/zeolite composite was markedly improved by 52% compared to the bare COFs. This work provides a facile way to integrate COFs and zeolites by 3D printing, which may open diverse applications of such composites by taking advantage of both merits. Photocatalysis ; Zeolite ; Hydrogen peroxide ; Composite material ; Materials science ; Catalysis ; Chemistry ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; TiO2 Photocatalysis and Solar Cells
Authors: Zhanju Lin | Yan Li | Dhandapani Kuzhandaivel | Xiangrun Pu | Dong Peng | Longhui Zheng | Lixin Wu | Zixiang Weng
Source: Ceramics International (article, 2025-04-15)
Field: Chemistry — Organic Chemistry

Vat photopolymerization of high-solid content UV-curable resins for low-temperature sintered ceramic catalyst scaffolds Materials science ; Photopolymer ; Ceramic ; Composite material ; Catalysis ; Polymer ; Polymerization ; Organic chemistry Photopolymerization techniques and applications ; Additive Manufacturing and 3D Printing Technologies ; Advanced Photocatalysis Techniques
Authors: Rushd K. Shamki | Ahmad A. Hasan
Source: Iraqi Journal of Physics (article, 2025-12-01)
Field: Materials Science — Polymers and Plastics

Analysis of the Electrical and Optical Properties of Polyaniline/Graphene Oxide/Metal Oxides Nanocomposites This study investigates the electrical and optical properties of polyaniline (PANI) composites incorporating graphene oxide (GO) and metal oxides such as tin dioxide (SnO₂) and tungsten trioxide (WO₃). The addition of GO improves charge transport due to its high surface area and conductive nature. Moreover, SnO₂ contributes to stabilizing the electrical conductivity of the composites over time, while WO₃ introduces frequency-dependent charge-trapping behavior that influences dynamic electrical responses. Optically, GO modifies the bandgap and enhances UV-visible light absorption through improved photon interaction. SnO₂ improves the spectral stability of the composites, and WO₃ fine-tunes the wavelength-dependent optical response by selectively interacting with incident light. The key novelty of this research lies in the synergistic integration of GO with both SnO₂ and WO₃ within the PANI matrix, which allows for a simultaneous and balanced enhancement of both electrical and optical properties. This multifaceted improvement results in nanocomposites with strong potential applications in advanced technologies. The findings suggest promising use in optoelectronic devices, chemical sensors, and printed electronic systems, thereby supporting the development of multifunctional materials for next-generation smart technologies. Graphene ; Tungsten trioxide ; Nanocomposite ; Polyaniline ; Tin dioxide ; Electrical conductor ; Oxide ; Titanium dioxide ; Tin oxide Conducting polymers and applications ; Polymer Nanocomposite Synthesis and Irradiation ; Advanced Sensor and Energy Harvesting Materials
Authors: Sinhyeop Kim | Hanna Jääskö | Kyoung Chul Park | Sami Malola | Hannu Häkkinen | Sarah S. Park
Source: Journal of the American Chemical Society (article, 2025-08-12)
Field: Materials Science — Materials Chemistry

Tuning the Electrical Properties through Metal-Ion-Mediated Assembly in Au<sub>25</sub> Nanocluster-Based Frameworks Au nanoclusters (NCs), with discrete electronic structures and tunable properties, are promising building blocks for nanoelectronics. However, maximizing their potential requires a deeper understanding of precise control over intercluster interactions, which is crucial for charge transport. Here, we leverage coordination chemistry to fine-tune intercluster distances in NC-based frameworks by incorporating coordinating metal ions (Mg<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, or Cu<sup>2+</sup>) into [Au<sub>25</sub>(<i>p</i>-HMBA)<sub>18</sub>]<sup>-</sup> NCs. Single-crystal X-ray diffraction reveals that four isostructural frameworks have systematic lattice parameter variations, driving a 31-fold enhancement in the electrical conductivity. Density functional theory calculations further reveal semiconductor-like electronic structures and highlight that Cu<sup>2+</sup>-coordinated frameworks exhibit more efficient charge transport due to the presence of Cu 3d states near the Fermi level. This atomic-level investigation of intercluster distance effects and electrical property tuning through coordinating ion incorporation establishes design principles for engineering electronic properties in NC frameworks, enabling the development of precisely tunable and high-performance nanoelectronic materials. Nanoclusters ; Isostructural ; Chemistry ; Ion ; Nanotechnology ; Crystal engineering ; Dopant ; Chemical physics ; Electronic structure ; Density functional theory ; Semiconductor ; Nanoelectronics ; Crystal structure ; Computational chemistry ; Crystallography ; Optoelectronics ; Doping ; Materials science ; Supramolecular chemistry Nanocluster Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Xinghai Zhang | Justin H. Wilson | Matthew S. Foster
Source: Physical review. B./Physical review. B (preprint, 2025-01-17)
Field: Materials Science — Materials Chemistry

Critical filaments and superconductivity in quasiperiodic twisted bilayer graphene Multilayer moir\'e materials can exhibit topological electronic features yet are inherently quasiperiodic---leading to wave-function interference whose Anderson-localizing tendency can be mitigated by topology. We consider a quasiperiodic variant of the chiral Bistritzer-MacDonald model for twisted bilayer graphene with two incommensurate moir\'e potentials that serves as a toy model for twisted trilayer. We observe ``filaments'' linking magic angles with enhanced density of states and fractal wave functions that evade localization; states away from the filaments mimic fractal surface states of dirty topological superconductors. We demonstrate that topological quasiperiodicity can broadly enhance superconductivity without magic-angle fine-tuning. Quasiperiodic function ; Superconductivity ; Bilayer graphene ; Condensed matter physics ; Bilayer ; Graphene ; Physics ; Materials science ; Nanotechnology ; Chemistry ; Membrane Graphene research and applications ; Surface Chemistry and Catalysis ; Fullerene Chemistry and Applications
Authors: Yang Zhang | Yue Zhang | Yilei Yan | Yuchao Ma | Kaihua Li | Shuo Yang | Long Jiao | Shaofei Wang | Bowen Cheng | Leixin Yang
Source: Journal of Membrane Science (article, 2025-11-20)
Field: Materials Science — Materials Chemistry

Microenvironment regulation in hydroxyl-functionalized COF membranes for enhanced CO2 separation Membrane ; Permeance ; Selectivity ; Gas separation ; Covalent organic framework ; Monomer ; Covalent bond Covalent Organic Framework Applications ; Membrane Separation and Gas Transport ; Carbon Dioxide Capture Technologies
Authors: Xue Lang Gao | Hojun Lee | Woongsik Choi | Yong‐Ho Shim | Hyung Min | Moon Jeong Park
Source: Advanced Functional Materials (article, 2025-03-20)
Field: Materials Science — Materials Chemistry

Superionic Disulfonic Acid Polymers Abstract Acid‐functionalized polymers have received significant attention for use in energy conversion systems. Sulfonated aromatic polymers have been widely studied for utilization in energy conversion systems; however, the occurrence of side reactions or uncertainties in the substitution has hindered progress in enhancing their properties. In this study, an approach is presented for developing superionic sulfonated polymers through the strategic design of disulfonic acid polymers with precisely arranged acid groups that allow fine‐tuned molecular interactions at the molecular level. Notably, the synthesized polystyrene 3,4‐disulfonic acid (PS di 34S), with sulfonic acid groups in close proximity to the meta and para positions of the styrene ring, exhibits lower charged states, significantly reduced acidity and hydrophobic characteristics due to intra‐monomer hydrogen bonding interactions. When the PS di 34S doped with ionic liquids, these interactions decouple ion relaxation from polymer relaxation, contrary to the strong trade‐off between ionic conductivity and mechanical strength observed in other sulfonic acid polystyrene counterparts. The PS di 34S electrolytes exhibit superionic conduction behavior, with a room temperature conductivity of 1.2 mS cm −1 and a shear modulus of 52 MPa (calculated Young's modulus of 156 MPa). Controlled polymerization routes for obtaining disulfonic acid polymers with excellent electrolyte properties offer significant promise for a wide range of electrochemical applications. Materials science ; Polymer ; Polymer science ; Chemical engineering ; Nanotechnology ; Composite material Thermal and Kinetic Analysis ; Fuel Cells and Related Materials ; Ionic liquids properties and applications
Authors: L.A. Lozano-Hernández | Patrice Rannou | Yvan Bonnassieux | Sébastien Sanaur
Source: Advanced Materials Interfaces (article, 2025-07-30)
Field: Materials Science — Polymers and Plastics

A Universal Method for Achieving Ultra‐Low Contact Resistances in Organic Electrochemical Transistors Abstract Organic ElectroChemical Transistors (OECTs) are intensively studied for enabling their use in organic bioelectronics, neuromorphic systems, and biosensors. Beyond device geometry, reaching optimal operation of organic electronic circuits requires the optimization of the physico‐chemical properties of the channel. Toward this end, the effects of a “bulk” doping of the channel material and its influence on the contact resistance (R C ) at the interface between a Polymeric Mixed Ionic‐Electronic conductors (PMIECs) and the Source (S) and Drain (D) electrodes are presented. An easy‐to‐implement method to achieve ultra‐low contact resistances in OECTs is introduced. By incorporation of LiTFSI, a 4x transconductance improvement is achieved, and a decrease of R C by a factor of ≈2 and ≈40 has been observed for p‐ type or n‐ type PMIECs, respectively. It reaches an unprecedented width‐normalized contact resistance value as low as 1 Ohm.cm with the p(g2T‐T) polymer. The formation of very localized domains in the polymeric matrix in the vicinity of the electrodes, as a result of the reduction of TFSIˉ anions, which modulates the energy barrier at the S/D interface, is suggested here. Furthermore, both p(g2T‐T) and p(gNDI‐gT2) polymers exhibit low water uptake with minute amounts of LiTFSI. Worth noticing, doped p(g2T‐T) preserves its volumetric capacitance and demonstrates an exceptional long‐term stability. Finally, a universal strategy to fine‐tune OECT performances, drawing prospects for implementing next‐generation applications in organic bioelectronics and neuromorphics, is proposed. Materials science ; Contact resistance ; Transistor ; Electrochemistry ; Nanotechnology ; Optoelectronics ; Electrical engineering ; Electrode ; Voltage ; Physical chemistry Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Analytical Chemistry and Sensors
Authors: Roberta Stile | Devis Montroni | Demetra Giuri | Claudia Tomasini
Source: Molecules (article, 2025-08-11)
Field: Materials Science — Biomaterials

Simple pH-Triggered Control over Hydrogel Formation by Acetyl Valine This paper reports on the use of acetyl-L-valine (Ac-Val) as an effective and precise pH modifier for inducing hydrogel formation. Ac-Val offers several advantages: it is fully water-soluble, overcoming dissolution issues, and allows for stock solution preparation to fine-tune trigger volume and final material pH. As a weaker carboxylic acid compared to inorganic acids, Ac-Val enables more controlled pH variation. For comparison, a commercial lactic acid (LA) solution was also evaluated. The reliability of Ac-Val as a pH modifier was tested on three amino acid derivatives-Boc-Dopa(Bn)<sub>2</sub>-OH, Lau-Dopa(Bn)<sub>2</sub>-OH, and Pal-Phe-OH, all known to be efficient gelators. These molecules, sharing common structural features, form gels varying in transparency, robustness, and elasticity. Notably, Pal-Phe-OH is a supergelator. A key benefit of Ac-Val lies in its ability to cause an instantaneous pH modification, allowing for precise pH adjustment before the gel network forms. This pH-change approach with Ac-Val demonstrates broad applicability, enabling the creation of gels with tailored pH values for various acidic molecules, which is particularly valuable for applications like drug delivery where specific pH environments are crucial. Chemistry ; Stock solution ; Dissolution ; Valine ; Self-healing hydrogels ; Molecule ; Combinatorial chemistry ; Amino acid ; Polymer chemistry ; Biochemistry ; Organic chemistry ; Physical chemistry Supramolecular Self-Assembly in Materials ; Lipid Membrane Structure and Behavior ; RNA Interference and Gene Delivery
Authors: Kalamkar, Prathamesh | Letcher, Ned | Chami, Meissane | Lad, Sahger | Mohanty, Shayan | Pendse, Prasanna
Source: arXiv (Cornell University) (preprint, 2025-11-18)
Field: Materials Science — Materials Chemistry

The Tokenization Bottleneck: How Vocabulary Extension Improves Chemistry Representation Learning in Pretrained Language Models The application of large language models (LLMs) to chemistry is frequently hampered by a "tokenization bottleneck", where tokenizers tuned on general-domain text tend to fragment chemical representations such as SMILES into semantically uninformative sub-tokens. This paper introduces a principled methodology to resolve this bottleneck by unifying the representation of natural language and molecular structures within a single model. Our approach involves targeted vocabulary extension-augmenting a pretrained LLM's vocabulary with chemically salient tokens, followed by continued pretraining on chemistry-domain text to integrate this new knowledge. We provide an empirical demonstration of the effectiveness of this strategy, showing that our methodology leads to superior performance on a range of downstream chemical tasks. Vocabulary ; Representation (politics) ; Salient ; Natural language ; Bottleneck ; Language model ; Lexical analysis ; Extension (predicate logic) Machine Learning in Materials Science ; Computational Drug Discovery Methods ; Topic Modeling
Authors: Ruiqi Jing | Thorbjørn Terndrup Nielsen | Cristian Pablo Pennisi | Jesper de Claville Christiansen | Kim Lambertsen Larsen
Source: Applied Materials Today (article, 2025-10-15)
Field: Chemistry — Organic Chemistry

A photoinitiator-free UV-curable hydrogel with tunable properties using dextrans modified by adamantane, benzophenone, and β-cyclodextrin • Photoinitiator-free UV-curable hydrogels are formed from the modified dextrans by β-cyclodextrin, benzophenone, and adamantane. • The inclusion complex between β-cyclodextrin and benzophenone enables covalent crosslinking under UV light. • Mechanical properties are tunable by varying the anchor point ratio, molecular weight, solution concentration, and hydrogel composition. • Hydrogels exhibit robust mechanical properties and negligible cytotoxicity in vitro . The backbones of dextran with varying molecular weights were modified utilizing β-cyclodextrin (β-CD) as the host and adamantane (Ada) and benzophenone (Bzp) as guests. The inclusion complex that forms between β-CD and benzophenone facilitates the establishment of covalent bonds under ultraviolet (UV) irradiation without the necessity of photoinitiators, culminating in the creation of covalently cross-linked robust hydrogels. The chemical structures of the modified dextran were confirmed through the characteristic peaks observed in the nuclear magnetic resonance (NMR) and Fourier-transform infrared (FT-IR) spectra. Adjustments in the anchor point ratio, chain length of the dextran backbone, solution concentration, and hydrogel composition effectively fine-tuned the rheological properties. These properties were systematically evaluated through rheometry, revealing non-Newtonian characteristics. Swelling behavior was measured to provide additional evidence of UV-induced covalent cross-linking. In vitro assays demonstrated that the cytotoxicity of the hydrogel was negligible. This study aims to assess the physicochemical and biological properties of these novel hydrogel materials for potential biomedical applications. Covalent bond ; Dextran ; Self-healing hydrogels ; Benzophenone ; Swelling ; Biocompatibility ; Rheology ; Cytotoxicity Photopolymerization techniques and applications ; Advanced Polymer Synthesis and Characterization ; 3D Printing in Biomedical Research
Authors: Wenjiang Nie | Hui‐Fang Ma | Hui‐Ping Xiao | Xing-Ping Fu | Qing‐Yan Liu | Yu‐Ling Wang
Source: Separation and Purification Technology (article, 2025-09-16)
Field: Chemistry — Inorganic Chemistry

Achieving efficient SF6 recovery from SF6/N2 separation within isoreticular metal-organic frameworks by programmed chlorination of organic linkers Selectivity ; Sorption ; Adsorption ; Sulfur hexafluoride ; Gas separation ; Surface modification Metal-Organic Frameworks: Synthesis and Applications ; Inorganic Fluorides and Related Compounds ; Extraction and Separation Processes
Authors: Nhu‐Y Ngoc Ha | Minh Tran | Tai Wei Ly | Thao‐Van Thi Tran | Cuong Hung Luu | Nelly Huynh | Loan T. Le | V.H. Giang Phan
Source: Macromolecular Chemistry and Physics (article, 2025-08-06)
Field: Materials Science — Polymers and Plastics

Sustainable Thermochromic Hydrogels‐Based Energy‐Saving Smart Window with High Solar Modulation and Enhanced Privacy Protection ABSTRACT Hydrogel‐based smart windows, which actively modulate solar transmittance to control indoor temperature and brightness, have garnered significant interest due to their potential for enhancing energy efficiency. However, most existing hydrogel systems are based on synthetic polymers and chemically cross‐linked networks, which raises concerns about their environmental sustainability. In this study, we developed a novel thermochromic hydrogel entirely from natural polymers for next‐generation smart window applications, providing both energy‐saving potential and enhanced privacy. The hydrogel comprises sodium dodecyl sulfate micelles embedded within a matrix of kappa‐carrageenan and carboxymethyl chitosan, with β‐glycerophosphate employed to fine‐tune the optical characteristics. This material demonstrated outstanding anti‐freezing performance and rapid, reversible transitions between transparent and opaque states within the comfort temperature range of human body (∼34°C). At elevated daytime temperatures, the hydrogel became highly transparent, exhibiting remarkable solar modulation ( T lum = 83.54%, ∆ T sol = 78.89%). In contrast, at lower nighttime temperatures, it adopted an opaque state to enhance occupant privacy. Furthermore, the hydrogel displayed responsiveness to both external pH changes and electrical stimuli, supporting multi‐modal control. The system is simple to fabricate, cost‐effective, non‐toxic, and environmentally benign, offering great potential for sustainable energy‐saving windows and temperature‐warning devices. Thermochromism ; Self-healing hydrogels ; Window (computing) ; Sun protection ; Materials science ; Sustainable energy ; Polymer chemistry ; Architectural engineering ; Chemistry ; Computer science ; Renewable energy ; Engineering ; Organic chemistry ; Electrical engineering Transition Metal Oxide Nanomaterials ; Solar Thermal and Photovoltaic Systems ; Solar-Powered Water Purification Methods