jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Zexiang He | Depeng Wang | Wentao Fan | Songlin Liu | Antonio Gaetano Ricciardulli | Haixia Zhong | Yiyong Mai | Paolo Samorı́ | S. S Yang
Source: Advanced Materials (article, 2026-01-15)
Field: Materials Science — Materials Chemistry

On‐Surface Synthesis of Bismuth Monolayers through Ice‐Confined Redox Reactions 2D bismuth possesses a unique combination of properties, such as cryogenic-free quantum spin Hall effects and intrinsic single-element ferroelectricity, making it highly promising for next-generation electronic devices. However, the synthesis of 2D bismuth via exfoliation or direct growth is hindered by the low structural anisotropy of bulk bismuth crystals. To address this challenge, we demonstrate an unprecedented ice-confined bottom-up strategy for growing 2D bismuth. This approach involves kinetically controlled nucleation in liquid nitrogen (-196 °C), followed by redox-driven anisotropic growth within the confined space between ice and aluminum surfaces at -20 °C. The surfactant-free process yields solution-processable crystalline 2D bismuth with micrometer-scale lateral dimensions and atomic-level thickness, where 72% of the sheets are 1-3 layers thick. Thanks to its oxophilic surfaces, the as-grown 2D bismuth effectively captures CO<sub>2</sub> molecules and facilitates their conversion to *OCHO intermediates during electrochemical CO<sub>2</sub> reduction, leading to an excellent formate Faraday efficiency of 95.6%. Moreover, this versatile synthetic route can be extended to other functional 2D metals, including silver, copper, and tellurium, thereby opening new avenues for the design of advanced catalysis, electronics, and related technologies. Bismuth ; Monolayer ; Nucleation ; Redox ; Anisotropy ; Electrochemistry ; Ferrimagnetism ; Crystal growth 2D Materials and Applications ; Advanced Thermoelectric Materials and Devices ; Advanced Photocatalysis Techniques
Authors: L.G. Ceballos-Mendivil | E. Manzanarez-Salazar | Jonathan Casildo Luque-Ceballos | Rody Soto-Rojo | Francisco J. Baldenebro-López | Adriana C. Cruz-Enríquez | Jesús Baldenebro-López
Source: Inorganics (article, 2026-03-26)
Field: Materials Science — Ceramics and Composites

Facile Synthesis of High-Purity Nanostructured Hafnium Carbide via Pectin-Assisted Carbothermal Reduction: Structural Evolution and Morphological Insight Hafnium carbide (HfC) ceramics are of growing interest due to their exceptional mechanical properties and ultra-high melting points, making them ideal for extreme environmental applications. In this study, we present a synthesis route for HfC nanoparticles via carbothermal reduction of an organic–inorganic hybrid precursor derived from hafnium tetrachloride (HfCl4) and pectin, followed by thermal treatment at 1500 °C for 1.5 h under an argon atmosphere. According to TGA/DSC analysis of the hybrid precursor, hafnia phases initially formed during pyrolysis and were subsequently converted into HfC at 1500 °C, with the endothermic carbothermal reduction reaction initiating near 1200 °C. Comprehensive characterization using Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis/differential scanning calorimetry (TGA/DSC), X-ray diffraction (XRD) with Rietveld refinement, scanning electron microscopy (SEM), and transmission electron microscopy (TEM) confirmed the synthesis of hafnium carbide (HfC) exhibiting predominantly cubic morphology. XRD analysis determined a lattice parameter of a = 4.63 Å and an interplanar spacing of d = 2.68 Å. Rietveld refinement revealed a phase composition of 98.08% HfC and 1.92% monoclinic hafnium dioxide (m-HfO2). Debye–Scherrer analysis indicated an average crystallite size of 67.6 nm. SEM and TEM images showed uniformly distributed nanoparticles with an average particle size of approximately 65–70 nm. Carbothermic reaction ; Thermogravimetric analysis ; Rietveld refinement ; Monoclinic crystal system ; Scanning electron microscope ; Crystallite ; Transmission electron microscopy ; Niobium carbide ; Thermal decomposition Advanced ceramic materials synthesis ; Advanced Cellulose Research Studies ; Semiconductor materials and devices
Authors: Aigerim G. Zhaxybayeva
Source: Preprints.org (preprint, 2026-01-27)
Field: Chemistry — Organic Chemistry

Cucurbituril - Based Supramolecular Polymer Gels: From Macrocycle Synthesis to Functional Composite Networks Cucurbiturils (CB[n]) are rigid glycoluril-based macrocyclic hosts with defined cavities that form high-affinity host–guest complexes in aqueous solutions. This review examines cucurbituril-based supramolecular polymer gels as functional composite materials, integrating synthetic chemistry with materials science perspectives. We systematically cover (1) the synthesis and functionalization of cucurbiturils tailored for gel applications, including classical acid-catalyzed condensation and modern green methodologies; (2) fundamental design principles for incorporating CB[n] as dynamic crosslinkers in polymer networks; (3) structure–property relationships governing mechanical behavior, self-healing capacity, and stimuli-responsiveness; and (4) contemporary applications in biomedical engineering, soft electronics, and environmental remediation. Emphasis is placed on how molecular-scale host–guest interactions translate to macroscopic composite properties. The review concludes with perspectives on scalable synthesis, processing integration, and future directions in supramolecular composite materials. Cucurbituril ; Supramolecular chemistry ; Composite number ; Polymer ; Supramolecular polymers ; Condensation ; Surface modification ; Cover (algebra) Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Yongfeng Yang | Ming Wang | Xiaoshuai Fan | Bin Yang | Jin Li | Guansai Liu | Jinsen Chen
Source: ChemistrySelect (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

A Mild Intramolecular Cyclization for the Synthesis of N–O Heterocycles and Unlocked Nucleic Acid Analogs ABSTRACT N–O heterocycles are privileged scaffolds in medicinal chemistry and materials science, yet their synthesis often requires harsh conditions or metal catalysts, limiting functional group compatibility. Herein, we report a mild, metal‐free intramolecular cyclization strategy for the efficient assembly of diverse N–O heterocycles (4‐ to 8‐membered rings). A sequential optimization approach employing definitive screening, steepest ascent, and full factorial designs significantly enhanced the reaction yield up to 95%. The method exhibits broad substrate scope, tolerating halogens, alkyl/aryl groups, and sensitive functionalities, and enables the synthesis of complex fused and nucleic acid‐derived heterocycles. Its utility is demonstrated through the efficient preparation of unprotected unlocked nucleic acid (UNA) analogs, underscoring potential for therapeutic oligonucleotide development. Nucleic acid ; Oligonucleotide ; Yield (engineering) ; Intramolecular force ; Nucleic acid analogue ; Limiting ; Chemical synthesis Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions ; Synthesis of heterocyclic compounds
Authors: Subrata Pal | Martin Pauze | Negin Shafiei | Spencer P. Pitre
Source: Organometallics (article, 2026-03-06)
Field: Chemistry — Organic Chemistry

Base Metal Photocatalysts: A Bright Future in Photoredox Catalysis? Photoredox catalysis is widely considered as a more sustainable alternative for performing chemical synthesis, using low-energy visible-light photons as traceless reagents to achieve the desired reactivity under mild conditions. While this has led to significant improvements in sustainability for many transformations, the environmental impact of the photocatalysts themselves is often overlooked, with many methods relying on precious metals with uncertain long-term availability. One solution that remains underexplored is the development of photocatalysts using earth-abundant base metals. This tutorial review discusses current strategies for designing effective base metal photocatalysts and highlights recent notable examples of their implementation in photoredox-catalyzed transformations. Base metal ; Reagent ; Photoredox catalysis ; Photocatalysis ; Base (topology) ; Catalysis Radical Photochemical Reactions ; Advanced Photocatalysis Techniques ; TiO2 Photocatalysis and Solar Cells
Authors: Abinaya V. | J. Sivasankar | J. Sneha | Bharath Shirpi Thasan K.S | Iyakutti K | D.John Thiruvadigal
Source: Journal of Materials Chemistry B (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Tailored surface functionalization of AlN nanotubes for 5-fluorouracil adsorption and encapsulation: a first-principles and molecular dynamics study The rational design of biocompatible nanocarriers is essential for improving the efficacy and safety of anticancer therapeutics. Aluminum nitride nanotubes (AlNNTs) functionalized with biologically relevant sorbic acid (SA), butyric acid (BA), amine (-NH<sub>2</sub>), and carbonyl (CO) groups are evaluated as potential delivery platforms for 5-fluorouracil (5-FU). Surface modification with these functional groups enhances the polarity, active-site reactivity, and aqueous dispersibility of AlNNTs, generating a chemically enriched interface for strong drug anchoring. Structural analysis reveals pronounced local rehybridization, increased dipole moments, and improved solvation tendencies upon functionalization. The modified systems exhibit stronger adsorption energies and enhanced charge redistribution, confirming favourable interactions and encapsulation behaviour toward 5-FU. Furthermore, the calculated activation energy barriers indicate stable drug retention under physiological conditions with the possibility of stimulus-responsive release at the therapeutic site. Collectively, these findings position dual-functionalized AlNNTs as promising and tunable nanocarriers, laying a predictive foundation for the rational design of one-dimensional platforms for precision-targeted anticancer drug delivery. Surface modification ; Nanocarriers ; Adsorption ; Molecular dynamics ; Rational design ; Biocompatible material ; Nitride Boron and Carbon Nanomaterials Research ; Fluoride Effects and Removal ; Advanced ceramic materials synthesis
Authors: Razieh Ghanipour | Hadi Zare-Zardini | Hossein Eslami
Source: Journal of Materials Science Materials in Medicine (article, 2026-02-09)
Field: Chemistry — Organic Chemistry

Fullerene C60 in dental materials: a comprehensive review of carbon nanotechnology applications and future prospects Teeth and dental materials are very noteworthy because of their important role in digestion and facial beauty. It is necessary to develop dental materials with suitable physical, chemical and biological properties to improve the quality and beauty of teeth. Fullerene, as a spherical allotrope of carbon, has potent properties for medical applications. In this combinatorial review article, we focus on the application of fullerene C60 in dentistry. By searching the database for suitable keywords ("fullerene", "dental" and "dentistry"), 12 related articles were found. The data extracted from these articles showed that fullerene C60 can improve the mechanical properties of dental materials, prevent bacterial and fungal infections in the mouth, reduce frictional forces during orthodontic tooth movement, reduce the oxidation of orthodontic wires, improve surface topography, and adjust the roughness of dental implants in cell proliferation and connections, reduce the overall roughness of dental implants, increase the biocompatibility of dental materials, improve osteonectography by inducing biomineralization and differentiation of osteoblasts, act as alkaline phosphatase-like catalysts and increase the concentration of phosphate ions, improve the longevity and quality of implants, reduce worn teeth and corrosion, and prevent prosthetic stomatitis and inflammation. One related study showed that the designed fullerene-based system can be used as a probe to evaluate alpha-amylase activity and serve as an alternative analytical method for caries detection. Based on this article, the future of dentistry and dental materials is bright due to the spherical nanostructure of fullerene and the development of research in the field of its use in dentistry. Fullerene ; Biocompatibility ; Biomineralization ; Surface roughness ; Surface finish ; Dental implant Fullerene Chemistry and Applications ; Boron and Carbon Nanomaterials Research ; Graphene and Nanomaterials Applications
Authors: Shagufta Parveen M.A. Ansari
Source: International Journal of Advanced Chemistry Research (article, 2026-03-01)
Field: Materials Science — Materials Chemistry

N-confused porphyrins structural insights and functional applications: A review N-confused porphyrins (NCPs) are a unique class of porphyrin derivatives in which one of the pyrrole rings is inverted, leading to distinct electronic, structural, and chemical properties. This structural modification alters their coordination chemistry, redox behaviour, and photo physical characteristics, making them highly versatile in various applications. This review comprehensively explores the synthesis strategies, fundamental properties, and emerging applications of NCPs across multiple domains, including catalysis, biomedical sciences, optoelectronics, and environmental sustainability. The synthesis of NCPs has evolved from conventional condensation reactions to advanced templated and metal-assisted approaches, enabling better control over their functionalization and stability. Their unique electronic structure enhances their potential as efficient catalysts in electrochemical and photocatalytic processes, such as hydrogen evolution and CO₂ reduction. In biomedical applications, NCPs have demonstrated promise in photodynamic therapy (PDT) for targeted cancer treatment due to their superior phototoxicity and singlet oxygen generation. Additionally, their optoelectronic properties enable applications in organic photovoltaics (OPVs) and chemical sensors. Despite their remarkable properties, challenges such as limited synthetic scalability, structural stability, and functional tunability remain key areas for future research. Emerging advancements in nanotechnology, supramolecular chemistry, and hybrid material integration offer potential solutions to these limitations. This review provides a critical discussion on the current state-of-the-art in NCP research and highlights future perspectives for their development in next-generation functional materials. Singlet oxygen ; Porphyrin ; Surface modification ; Supramolecular chemistry ; Phototoxicity ; Cancer therapy Porphyrin and Phthalocyanine Chemistry ; Covalent Organic Framework Applications ; Photodynamic Therapy Research Studies
Authors: Protap Biswas | Lior Aram | N Livni | Roman Kamyshinsky | Nadav Elad | Michal Leskes | Assaf Gal
Source: Angewandte Chemie International Edition (article, 2026-02-17)
Field: Materials Science — Biomaterials

Macromolecular Condensates as Tunable Scaffolds for Bio‐Inspired Silica Hybrids Silica-based materials are of immense functionality as their production is versatile and can accommodate a wide range of properties. Nevertheless, no synthetic system can reproduce the ability of organisms to precipitate dense silica under ambient conditions and from dilute soluble precursors, leaving a substantial gap in our understanding of silica chemistry. It is widely accepted that a key feature of biosilicification is the activity of amine-rich macromolecules, but their biomimetic use in silica synthesis currently fails to reproduce biological processes. Here, we take inspiration from some properties of biological processes and demonstrate that phase separated polyamine condensates drive the formation of hybrid silica materials. We further show that the pH of the reaction is a regulator that allows to control the architecture and composition of the silica material. These results point to the fundamental role of condensates in driving silicification from dilute aqueous environments that characterize physiological conditions. Applying these sets of rules to synthetic systems may open the road for the production of a new class of dense and biocompatible silica hybrids. Macromolecule ; Biocompatible material ; Phase (matter) ; Hybrid material ; Aqueous solution ; Polymer ; Depolymerization Diatoms and Algae Research ; Mesoporous Materials and Catalysis ; Silicon Effects in Agriculture
Authors: Vadakkalur Sampath Chithra | Selvam Prabu | P. P. Sanak Archana | Nallasamy Palanisami
Source: Scientific Reports (article, 2026-02-18)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Exploring the impact of substituents and π-conjugation on structural, optical and nonlinear optical studies in ferrocene-appended D-π-A and D-D’-π-A chromophores A new series of push-pull chromophores (1–6) with ferrocene and methoxyphenyl donors and π-acceptor groups were synthesized and characterized. The chromophores (1–3) [Fc-C = C(CN)-(C6H4)-(C6H3)-R {R = H (1), OCH3 (2), CF3 (3)}] and D-D’-π-A (4–6), [Fc-(OCH3-C6H4)-C = CH=CN-(C6H4)-(C6H3)-R {R = H (4), OCH3 (5), CF3 (6)}] were studied for their photophysical and nonlinear optical (NLO) properties. Single-crystal X-ray diffraction studies confirmed the crystal structures of selected chromophores 1, 3, 4, and 6, showing various non-covalent interactions such as H-bonding and C-H⋅⋅⋅⋅⋅π interactions. The second-order nonlinear optical (NLO) response of chromophore 6 shows significantly enhanced second-harmonic generation (SHG) efficiency, approximately 2.9 times higher than that of standard potassium dihydrogen phosphate (KDP), due to the extended π-conjugation results in deviation of chromophores from planarity, which prevents antiparallel alignment in the bulk. To gain deeper insight into structure-property relationships, bond length alternation (BLA) values were evaluated based on BLA, correlating with NLO performance. Furthermore, density functional theory (DFT) calculations at the B3LYP/6–31 + G** level included both static and dynamic energy-dependent hyperpolarizabilities, showing good agreement with experimental optical and NLO results. Chromophore ; Nonlinear optical ; Antiparallel (mathematics) ; Nonlinear optics ; Density functional theory ; Diffraction ; Second-harmonic generation ; Infrared Nonlinear Optical Materials Research ; Synthesis and Properties of Aromatic Compounds ; Crystallography and molecular interactions
Authors: Edoardo Albertini | Sara Dalle Vacche | Alessandra Vitale
Source: RSC Applied Polymers (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Bio-based vitrimers: chemistry, performance and applications Recent advances in bio-based vitrimers are reviewed, linking renewable feedstocks to emerging applications in composites, packaging, additive manufacturing, adhesives, electronics and foams for sustainable thermoset design. Impossibility ; Thermosetting polymer ; Key (lock) ; Noise (video) Polymer composites and self-healing ; Lignin and Wood Chemistry ; Advanced Cellulose Research Studies
Authors: Huiran Wang | Shubham Sukumar Awate | Ke Xu | Susan K. Fullerton‐Shirey
Source: Small (article, 2026-02-20)
Field: Materials Science — Materials Chemistry

Direct Write, Read, and Erase of a Vertical Heterostructure of Graphene–Monolayer Electrolyte–h‐BN Using Electric Force Microscopy Electric double layer (EDL) gating effectively modulates charge density in two dimensional (2D) crystals; however, the electrolyte is typically deposited on top of the 2D crystal, controlling charge most strongly in the 2D material it contacts directly. Here, a monolayer-thick electrolyte is positioned between two, 2D materials - hexagonal BN (h-BN) and multi-layer graphene - in a vertical heterostack. Ions in the electrolyte are bistable, meaning they can be moved by field-effect closer to either of the 2D crystals and retain doping after the voltage is removed. Electric force microscopy (EFM) is used to write, read, and erase the heterostacks, and map the graphene surface charge with 12 × 12 nm resolution. With graphene as the top layer of the heterostack, ions in the monolayer electrolyte dope the 2D crystal from underneath, inducing sheet densities of 5 × 10<sup>12</sup> <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:semantics><mml:mrow><mml:mi>c</mml:mi> <mml:msup><mml:mi>m</mml:mi> <mml:mrow><mml:mo>-</mml:mo> <mml:mn>2</mml:mn></mml:mrow> </mml:msup> </mml:mrow> <mml:annotation>$\rm{c{m}^{-2}}$</mml:annotation></mml:semantics> </mml:math> , more than half of which is retained for 25 min after the voltage is removed, confirming bistability of the monolayer electrolyte. While the doping can also be erased, the data suggest that the energy barrier to erasing is higher than to writing, resulting in partial erasure at a voltage equivalent to the write voltage but opposite in polarity. This observation is consistent with prior device measurements of the monolayer electrolyte on 2D crystal field-effect transistors (FET). Electrolyte ; Monolayer ; Graphene ; Heterojunction ; Doping ; Ion ; Voltage ; Hysteresis ; Transistor 2D Materials and Applications ; Graphene research and applications ; Nanopore and Nanochannel Transport Studies
Authors: Zhi Dou | Liangliang He | Wenxing Zhao | Xiaoping Wang | H. Wang | Jie Lu | Chao Wang | Liqiang Yang
Source: Materials Advances (article, 2026-01-01)
Field: Materials Science — Biomaterials

Thermo-responsive single-chain cyclized/knotted polymers for cell encapsulation Spinal cord injury (SCI) is a traumatic condition that results in the loss of motor and sensory functions. Polymer ; Cell ; Cell injury ; Encapsulation (networking) ; Spinal cord injury Electrospun Nanofibers in Biomedical Applications ; Hydrogels: synthesis, properties, applications ; Tissue Engineering and Regenerative Medicine