jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Syuzanna Melkonyan | Marieta K. Zakaryan | Yeva Grigoryan | S. L. Kharatyan | Irina Hussainova | Florian Chabanais | Ali Saffar Shamshirgar | Per O. Å. Persson | Johanna Rosén | Sofiya Aydinyan
Source: Journal of Materials Research and Technology (article, 2025-10-25)
Field: Materials Science — Materials Chemistry

Phase and microstructure evolution patterns at combustion synthesis of high-entropy M2AlC (M=Ti/Ta/V/Nb/Cr) MAX phase High-entropy (HE) MAX phases represent an emerging family of multi-constituent solid solutions that provide large compositional variations and, therefore, a wide variety of properties. Here, we report the experimental realization of M 2 AlC (M=Ti/Ta/V/Nb/Cr) MAX phase by an energy-efficient self-propagating high-temperature synthesis, which enables facile scalability to an environmentally friendly industrial production. The HE-MAX phase was developed according to crystal size, electronegativity, and valence electron concentration of corresponding metals required to form a substitutional single-phase material. Variations in initial mixture composition, inert gas pressure, additive amount and sample diameter played a decisive role in HE-MAX formation. The combustion of the stoichiometric mixture favors the formation of the HE-carbide. Deviation from the stoichiometry has resulted in the formation of 211 and/or 413 type HE-MAX phases. Fine-tuning the aluminum and carbon content in the initial mixture, facilitated the formation of a layered structure, characteristic of MAX phases. DSC/TG analysis proved an enhanced oxidation resistance of HE-MAX phases, which outperforms conventional MAX phases and several previously studied HE-MAX phases. Combustion ; Stoichiometry ; Microstructure ; Phase (matter) ; Valence (chemistry) ; Valence electron ; Inert MXene and MAX Phase Materials ; Advanced materials and composites ; Advanced ceramic materials synthesis
Authors: Ahmed G. S. Al-Azzawi | Ahmed Iraqi | Ahmed M. Sadoon | Omar M. Esmaeel | Ivan B. Karomi
Source: Chemical Data Collections (article, 2025-10-21)
Field: Materials Science — Polymers and Plastics

Experimental and theoretical study of linker effects on electrochemical and optical properties of alternating conjugated polymers Conjugated system ; Linker ; Polymer ; Band gap ; Sonogashira coupling ; Acceptor ; Absorption (acoustics) Conducting polymers and applications ; Organic Electronics and Photovoltaics ; Molecular Junctions and Nanostructures
Authors: Adrian Espineira‐Gutierrez | Ines Caro-Noakes | Min Zhang | Marta Mas‐Torrent | Elżbieta Regulska | Carlos Romero‐Nieto
Source: Chemical Communications (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

The role of main group elements in shaping the properties of linearly-fused heterohexaarenes Embedding main group elements into the π-scaffold of linearly-fused hexaarenes enables fine-tuning of their optoelectronic properties in solution and in the solid state. Phosphorus leads to the best electron-accepting properties and increases fluorescence quantum yield in solution, silicon maximizes emission in the solid-state, whereas nitrogen leads to the smallest bandgap and promotes stronger intermolecular interactions. These findings offer key insights into structure-property relationships driven by main-group elements, establishing new design principles for the development of improved functional organic materials. Intermolecular force ; Group (periodic table) ; Quantum yield ; Fluorescence ; Embedding ; Silicon ; Yield (engineering) ; Nitrogen Inorganic and Organometallic Chemistry
Authors: Dmytro Zhulai | Nazarii Boichuk | Denys Pustovyi | O.V. Kovalchuk | Yuriy Garbovskiy | G. Klimusheva | T. A. Mirnaya | Galina Yaremchuk | S. А. Vitusevich
Source: Nano Select (article, 2025-01-26)
Field: Materials Science — Materials Chemistry

Synthesis of Carbon and Gold Nanoparticles in Ionic Liquid Crystals: Structural Properties and Electrical Behavior for Electro‐Optical Sensors ABSTRACT The structural and electrical properties of ionic metal‐alkanoate nanocomposites obtained based on a cadmium octanoate matrix with individual carbon and gold nanoparticles (NPs) as well as their combination are studied. Carbon and gold NPs were chemically synthesized within the smectic A phase of Cd +2 (C 7 H 15 COO − ) 2 , which served as a well‐ordered nanoreactor. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) data provide information on NPs location and allow the estimation of the sizes of the synthesized NPs inside the glassy liquid crystalline matrix. It is shown that the size and shape of the NPs were precisely controlled during synthesis, resulting in highly stable and organized nanocomposites. The electrical characteristics were studied in a wide temperature range corresponding to different phase states of the nanocomposites. We compared the electrical properties of both pure matrix and nanocomposites with carbon and gold NPs to identify the potential of the nanocomposite materials for designing new sensor structures. Notably, the nanocomposites exhibited anisotropic conductivity, highlighting the structural anisotropy of the material. In addition, using NPs allows fine‐tuning of the electrical properties of a metal‐alkanoate host matrix. The obtained nanocomposites open prospects for the development of electro‐optical sensors with high sensitivity and specificity that can be used to detect a variety of chemical and physical parameters including temperature, composition of substances, and environment. Materials science ; Ionic liquid ; Nanoparticle ; Colloidal gold ; Nanotechnology ; Carbon fibers ; Carbon Nanoparticles ; Ionic bonding ; Liquid crystal ; Optoelectronics ; Ion ; Chemistry ; Composite material ; Catalysis ; Organic chemistry Nanoparticles: synthesis and applications ; Carbon Nanotubes in Composites ; Electrochemical sensors and biosensors
Authors: Quan Zhao | Mingang Zhao | Wen Wang | Ziheng Song | Jianyu Wang | Yongjun Tian | Qianfeng Pan | Hanze Ma | Sheng Yuan | Shilin Guo | Yuhan Yang | Yanshuo Li | Rongfei Zhou | Guangwei He | Zhongyi Jiang
Source: Science Advances (article, 2025-12-17)
Field: Chemistry — Inorganic Chemistry

Nanosheet-bridged metal-organic framework membranes for durable hydrocarbon separation under high pressure Metal-organic framework (MOF) membranes have garnered notable interest in molecular separation. However, their high-pressure application is severely hampered by the mechanical fragility stemming from weak interactions at grain boundaries. Inspired by the cuttlebone's wall-cavity structure, we develop a class of nanosheets-bridged MOF membranes (NB-MOFs). These graphene oxide nanosheets act as a rigid wall, bridging soft MOF grains and dispersing accumulated stresses at grain boundaries under external loadings, thereby preventing structural cracking and enhancing the mechanical robustness of crystal membranes. By fine-tuning the morphology and content of nanosheets, the optimized NB-ZIF-8 membranes are endowed with unprecedented 50-bar pressure resistance and superior C<sub>3</sub>H<sub>6</sub>/C<sub>3</sub>H<sub>8</sub> separation performance, with a separation factor >240 maintained above 300 hours at industry-relevant pressure. We also confirm our strategy's versatility by fabricating pressure-resistant NB-ZIF-67 membrane and commercial polymer-supported NB-MOF membranes. We envision that our strategy will establish a platform for developing durable crystalline membranes and unlock their potential in real-world scenarios. Membrane ; Fragility ; Oxide ; Cracking ; Graphene ; Gas separation ; High pressure ; Mechanical strength Metal-Organic Frameworks: Synthesis and Applications ; Membrane Separation and Gas Transport ; Carbon Dioxide Capture Technologies
Authors: Johannes E. Erchinger | Tsubasa Okumura | K. Nakata | Daisuke Shimizu | Constantin G. Daniliuc | Kazuma Amaike | Frank Glorius | Kenichiro Itami | Hideto Ito
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization Despite their unique physical properties and diverse applications in materials science, poor solubility of polycyclic aromatic hydrocarbons (PAHs) limits further fine-tuning and investigation of these systems. Herein, we report a sulfoniumization strategy to solubilize and functionalize a diverse range of PAHs in a one-step protocol using a triethylene glycol ether-substituted diaryl sulfoxide. While mono-sulfoniumization is generally observed, modification of the reaction conditions to favor bis-sulfoniumization is shown. The downstream applicability of the resulting PAH sulfonium salts is validated through a series of post-functionalization reactions that include C-C and C-heteroatom bond formation, while their application in annulative π-extension (APEX) is showcased by the synthesis of tetra-<i>tert</i>-butylquaterrylene from perylene. The red-shifted absorption and fluorescence, along with high water solubility of the PAH sulfonium salts, enable their application in bio-imaging, where they demonstrate selective mitochondrial staining without cytotoxicity. Solubilization ; Surface modification ; Chemistry ; Environmental chemistry ; Organic chemistry ; Biochemistry Inorganic and Organometallic Chemistry ; Organic and Inorganic Chemical Reactions
Authors: Edwin J. González López | Sofía C. Santamarina | Anton Khmelnitskiy | Ana L. Moore | Daniel A. Heredia
Source: Organic Letters (article, 2025-06-30)
Field: Materials Science — Materials Chemistry

BOPYRENPY: A Modular Strategy toward Structurally Tunable Seven-Membered BF<sub>2</sub>-Chelated Chromophores A modular Knoevenagel condensation between 2-formylpyrroles and cyanomethylpyridine derivatives, followed by a chelation reaction, enables the synthesis of seven-membered BF<sub>2</sub>-chelated dyes, termed BOPYRENPY. This versatile strategy enhances structural diversity and functional applicability. In addition, our approach supports the late-stage incorporation of donor units via Suzuki coupling, allowing fine-tuning of fluorescence, Stokes shifts, and HOMO-LUMO energy levels. These findings establish BOPYRENPY as a versatile platform for next-generation chromophores based on 7-membered-ring dyes coordinated by BF<sub>2</sub>. Knoevenagel condensation ; Chromophore ; Chemistry ; Chelation ; Ring (chemistry) ; Fluorescence ; HOMO/LUMO ; Modular design ; Combinatorial chemistry ; Suzuki reaction ; Photochemistry ; Molecule ; Organic chemistry ; Catalysis ; Palladium ; Computer science Luminescence and Fluorescent Materials ; Photochromic and Fluorescence Chemistry ; Molecular Sensors and Ion Detection
Authors: Jiarui Chen | Huangjie Lu | Jian Lin
Source: Chemical Communications (review, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Selective crystallization strategies for lanthanide–lanthanide and lanthanide–actinide separations Rare-earth elements (REEs), including lanthanides, are vital for high-tech applications; however, their nearly identical trivalent ionic radii and coordination behaviour make individual separation challenging. This difficulty is further intensified by the co-occurrence of actinides (<i>e.g.</i>, Th) in REE ores, which share similar chemical properties and complicate purification. In spent nuclear fuel (SNF) reprocessing, efficient separation of lanthanides from actinides is also essential for actinide recycling, radiotoxicity reduction, and advancing closed fuel cycle strategies. Selective crystallization has emerged as a promising alternative to conventional separation techniques such as solvent extraction and ion exchange. By fine-tuning parameters like ligand identity, metal-ligand ratio, pH, solvent system, temperature, and so on, crystallization enables preferential formation of metal-specific solid phases even among chemically similar ions, thereby achieving lanthanide-lanthanide (Ln-Ln) and lanthanide-actinide (Ln-An) separations. This feature article reviews and summarizes the latest advances in crystallization-based Ln-Ln separation, including systems based on inorganic oxoanions, metal-organic frameworks (MOFs), molecular complexes, and supramolecular assemblies. For Ln-An separation, special emphasis is placed on both REE purification and SNF applications involving oxidation-state-specific separation. Structural insights from single-crystal products offer a deeper understanding of coordination preferences and separation mechanisms. Lanthanide ; Actinide ; Ionic radius ; Crystallization ; Rare earth ; Chemistry ; Materials science ; Inorganic chemistry ; Ion ; Mineralogy ; Organic chemistry Radioactive element chemistry and processing ; Extraction and Separation Processes ; Crystallization and Solubility Studies
Authors: Chunlin Xu | Dongyang Wang | Zhaodong Zhu | Svemir Rudić | Sihai Yang⧫ | Chong‐an Di | Dong Wang
Source: Nature Communications (article, 2025-11-22)
Field: Materials Science — Materials Chemistry

Understanding thermal transport in polymer semiconductors via two-channel mechanism The vibrational thermal conductivity of polymer semiconductors is critical to the performance of organic electronic devices, yet its underlying mechanisms remain elusive. This work presents a two-channel model to elucidate the vibrational heat transport in semiconducting polymers with extended side chains. We reveal a striking splitting of vibrational modes along the polymer chain, driven by the substantial difference in force constants between the backbone and side chains. This gives rise to two distinct dispersive longitudinal branches: a backbone branch, characterized by phonon-like propagons that govern thermal conductivity, and a side chain branch, consisting of non-propagating diffusons that make minimal contributions to heat transport. The reduced maximum thermal conductivity of these polymer semiconductors, compared to their side chain-free counterparts, is attributed to phonon scattering by the low-frequency optical modes of the side chains. Our findings establish a foundation for strategically modifying side chains as a potent approach to fine-tuning thermal conductivity. Side chain ; Thermal conductivity ; Polymer ; Semiconductor ; Work (physics) ; Phonon ; Thermal ; Scattering Thermal properties of materials ; Organic Electronics and Photovoltaics ; Thermal Radiation and Cooling Technologies
Authors: Tao Li | Bai‐Tong Liu | Jia‐Chuan Liu | Nishant Sule | Jintao Ou | Jim Y. Huang | Chenxin Ou | Jian‐Hua Jia | Yuanning Feng
Source: ACS Materials Letters (article, 2025-05-15)
Field: Materials Science — Materials Chemistry

Near-Infrared Emission in Organic Cocrystals Based on Twisted-Component Pseudoencapsulation Near-infrared (NIR) fluorescence, prized for deep optical penetration and high spatial resolution, can be achieved in organic cocrystals via donor–acceptor (D–A) charge-transfer (CT) emissions. We have rationally synthesized a series of cocrystals consisting of a twisted tetrachloroperylene dianhydride (TCPDA) as the electron-deficient acceptor, incorporating respectively with three different polycyclic aromatic hydrocarbons─i.e., triphenylene (TP), coronene (Cor), and perylene (Per)─as electron-rich donors. The introduction of a twisted component provides a pseudoencapsulation strategy to achieve fine-tuned control over stoichiometries, solid-state superstructures, and D–A interactions. Fluorescence emission spectra of these three cocrystals cover a wide range of wavelengths up to 861 nm. TP–TCPDA cocrystals with a two-photon absorption band reach into the NIR-II region because of the manipulation of the twisted configuration and noncovalent interactions. The pseudoencapsulation strategy of applying twisted components in cocrystals holds considerable promise for the future design and synthesis of advanced optical materials. Component (thermodynamics) ; Infrared ; Organic component ; Materials science ; Environmental science ; Chemistry ; Environmental chemistry ; Optics ; Physics Luminescence and Fluorescent Materials ; Crystallography and molecular interactions ; Energetic Materials and Combustion
Authors: Anthony D’Aléo | Xun Tang | Dae‐Hyeon Kim | Danillo Valverde | Elena Zaborova | Gabriel Canard | Arnaud Brosseau | L. Mager | Gilles Clavier | Chihaya Adachi | Yoann Olivier | Jean‐Charles Ribierre
Source: Advanced Optical Materials (article, 2025-04-11)
Field: Materials Science — Materials Chemistry

Curcuminoid Derivatives with a Donor‐Acceptor‐Donor Architecture: an Outstanding Platform for Highly‐Efficient Near‐Infrared Electroluminescence and Amplified Spontaneous Emission Abstract The development of high‐efficiency near‐infrared (NIR) emitters for organic light‐emitting diodes (OLEDs) and organic semiconductor lasers has become an important target in organic photonics. Herein, it is demonstrated that donor‐acceptor‐donor borondifluoride curcuminoid derivatives represent a versatile and simple platform for the molecular engineering of high‐efficiency NIR emitters combining thermally‐activated delayed fluorescence (TADF) with excellent electroluminescence properties and amplified spontaneous emission (ASE) activity. A series of donor‐acceptor‐donor curcuminoid compounds containing triphenylamino‐substituents for the donor side groups and various acceptor units in the meso position were designed and synthesized. The investigation of the effects of the molecular structure on the TADF properties show that the nature of the substituents enables a fine tuning of the emission wavelengths while maintaining high photoluminescence quantum yield values. These NIR TADF dyes were used in OLEDs with an external quantum efficiency of almost 1% for a maximum emission wavelength of 797 nm. They also show a low threshold tuneable amplified spontaneous emission between 725 and 900 nm. Overall, this study provides new essential insights to rationalize the TADF activity of this family of NIR emitters and offers important prospects for designing the next generation of NIR TADF‐OLEDs and organic semiconductor laser materials. Electroluminescence ; Materials science ; Photochemistry ; Infrared ; Acceptor ; Optoelectronics ; Curcuminoid ; Aggregation-induced emission ; Nanotechnology ; Fluorescence ; Optics ; Chemistry ; Curcumin ; Condensed matter physics ; Physics Luminescence and Fluorescent Materials ; Carbon and Quantum Dots Applications ; Organic Light-Emitting Diodes Research
Authors: Jin Chang Ding | Xiaotong Li | Hongmin Lin | Bochao Ye | Xing Zhou | Fei‐Hu Cui | Ying‐Ming Pan | Haitao Tang
Source: Chinese Chemical Letters (article, 2025-05-08)
Field: Chemistry — Inorganic Chemistry

Highly regioselective hydrogermylation of unsaturated C-C bonds over ligand-control single atom palladium catalysts Regioselectivity ; Palladium ; Catalysis ; Ligand (biochemistry) ; Chemistry ; Atom (system on chip) ; Medicinal chemistry ; Stereochemistry ; Organic chemistry ; Computer science Asymmetric Hydrogenation and Catalysis ; Carbon dioxide utilization in catalysis ; Catalytic C–H Functionalization Methods
Authors: Ziyan Du | Ebraheem Abdu Musad Saleh | M. M. Moharam | Safia Obaidur Rab | Suhas Ballal | Akhileshwar Singh | A. Sabarivani | Samir Sahu | Chou‐Yi Hsu
Source: Drug Development Research (review, 2025-11-01)
Field: Materials Science — Biomaterials

Enzyme Responsive Magnetic Nanoparticles for Targeted Drug Delivery and Precision Medicine Enzyme-responsive magnetic nanoparticles (MNPs) represent an emerging class of multifunctional drug delivery systems that combine spatial precision with biochemical selectivity. By integrating magnetic guidance with enzyme-triggered activation, these nanocarriers address a critical limitation of conventional chemotherapy, namely the lack of specificity that often leads to systemic toxicity and reduced therapeutic efficacy. Enzymes such as proteases, phospholipases, and oxidoreductases are frequently dysregulated in pathological tissues, providing endogenous signals that can be harnessed for site-specific drug release. Enzyme-responsive MNPs exploit these biochemical signatures by incorporating cleavable linkers, enzyme-sensitive coatings, or catalytic cascades, ensuring that therapeutic payloads are released selectively in tumor microenvironments, inflamed regions, or infection sites. Advances in nanoparticle synthesis have further enabled fine-tuning of magnetic cores, polymer shells, and functionalized surfaces, thereby enhancing stability, drug loading capacity, and responsiveness. Preclinical studies demonstrate substantial benefits, including enhanced tumor accumulation, alleviation of hypoxia, improved drug penetration through stromal barriers, and reduction of off-target toxicity. Applications extend beyond oncology to infectious diseases, where pathogen-derived enzymes activate antibiotic release, and to metabolic disorders, where glucose oxidase-based systems regulate insulin delivery. Despite these promising outcomes, translation to clinical practice is constrained by manufacturing challenges, variable enzyme expression, limited in vivo data, and stringent regulatory requirements. This review critically examines the principles, design strategies, release mechanisms, and biomedical applications of enzyme-responsive MNPs, while highlighting unresolved barriers and future directions. Ultimately, enzyme-responsive MNPs exemplify the potential of precision nanomedicine, offering a platform for highly adaptable, multimodal, and patient-tailored therapeutic interventions. Nanocarriers ; Magnetic nanoparticles ; Drug delivery ; Drug ; Nanomedicine ; Targeted drug delivery ; Precision medicine Nanoparticle-Based Drug Delivery ; Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics
Authors: Zi-Shan Liao | Hui Zeng | Erqing Wang | Huaqing Huang
Source: Small (article, 2025-03-16)
Field: Materials Science — Materials Chemistry

Berry Curvature Dipole and Nonlinear Hall Effect in Type‐II Semi‐Dirac Systems The Berry curvature dipole (BCD) and the resulting nonlinear Hall effect have been investigated in various time-reversal (TR) invariant but inversion-breaking materials, where the primary mechanisms are typically attributed to low-energy Dirac models with tilt, Fermi surface (FS) warping, or semi-Dirac dispersion with quadratic momentum dependence in one direction. This study proposes that a nonzero BCD arises in a special type-II semi-Dirac model formed by the merging of three conventional Dirac points in the absence of TR symmetry. The BCD in this model initially increases, then decreases, as the chemical potential varies or as the Dirac cones merge. This non-monotonic behavior is strongly linked to the evolution of the FS and the distribution of the BCD density across different parameter regimes. Detailed comparison with other models further reveals distinct characteristics of this model. Additionally, it is shown that a pair of TR counterparts can exhibit a net BCD, suggesting potential applications in TR-invariant materials. As a concrete example, a pronounced BCD is demonstrated in bilayer graphene, where type-II semi-Dirac dispersion is achieved by fine-tuning interlayer sliding. These findings provide insights into BCD behavior in semi-Dirac materials and establish a foundation for exploring the nonlinear Hall effect in related systems. Berry connection and curvature ; Physics ; Point reflection ; Nonlinear system ; Dirac fermion ; Dipole ; Condensed matter physics ; Dirac (video compression format) ; Graphene ; Quantum mechanics ; Geometric phase Graphene research and applications ; Topological Materials and Phenomena ; Quantum and electron transport phenomena
Authors: Ajmal P. Muhammed | Sadhasivam Thangarasu | Chaitany Jayprakash Raorane | Seong‐Cheol Kim | Tae Hwan Oh
Source: Food Chemistry (article, 2025-04-26)
Field: Materials Science — Biomaterials

Integrating hexagonal boron nitride-ZnO nanohybrids as multifunctional active fillers in PLA matrices to extend the shelf-life of fresh strawberries Shelf life ; Hexagonal boron nitride ; Chemical engineering ; Boron nitride ; Materials science ; Hexagonal crystal system ; Nanotechnology ; Off the shelf ; Chemistry ; Food science ; Crystallography ; Computer science biodegradable polymer synthesis and properties ; Nanocomposite Films for Food Packaging ; Natural Fiber Reinforced Composites