jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Wenhao Gao | Kaiwen Sun | Xiaosong Wang | Liang Gao | Lin | Chengyan Zhang | Chunhua Cai
Source: Nature Communications (article, 2026-02-26)
Field: Materials Science — Biomaterials

Supramolecular coupling of cylindrical micelles following seeded-growth Macromolecular coupling is a widely used technique for industrial materials, while supramolecular coupling is ubiquitous in biological systems. Although the designed synthesis of one-dimensional self-assembled nanostructures via crystallization-driven self-assembly and liquid-crystallization-driven self-assembly has been realized, end-to-end coupling of cylindrical micelles is rarely reported. Unlike crystallization, liquid-crystallization features fluidity under certain conditions. The cylindrical micelles prepared via liquid-crystallization-driven self-assembly possess less organized liquid crystalline blocks at the two partially open ends, originating the end-to-end coupling to lower the free energy. The interaction strength of solvents with liquid crystalline blocks is a pivotal parameter that can be used to switch on or off the coupling. Theoretical simulation is consistent with experimental work, supporting the mechanism. The supramolecular coupling offers opportunities for designing complex polymeric liquid crystalline nanostructures. Supramolecular chemistry ; Micelle ; Coupling (piping) ; Macromolecule ; Nanostructure ; Self-assembly Supramolecular Self-Assembly in Materials ; Liquid Crystal Research Advancements ; Pickering emulsions and particle stabilization
Authors: Yuehuang Wu | Hongping Xia | He Ding | Mengmeng Long | Sen Yan | Miao Zhang | Jingyi Sheng | Ning Gu
Source: Signal Transduction and Targeted Therapy (article, 2026-03-09)
Field: Materials Science — Materials Chemistry

Nature-inspired confined cascade enzyme nanoreactors for targeted atherosclerosis therapy Oxidative stress and excessive inflammatory responses are major drivers of atherosclerosis (AS) formation and progression. In this study, we report a nature-inspired nanoreactor (named USPB@SeDMSN@NM) with superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GPx) multienzymatic activities for targeted atherosclerosis therapy. The confined cascade nanocatalyst (USPB@SeDMSN) is designed by assembling ultrasmall Prussian blue nanoparticles (USPB NPs, SOD and CAT mimics) into the large pores of selenium (Se)-doped dendritic mesoporous silica nanoparticles (SeDMSNs, GPx mimics). The DMSN provides abundant immobilization sites for USPB NPs and Se to sequentially scavenge reactive oxygen species (ROS) in a cascade manner and forms confined reaction environments to significantly increase the local concentration of substrates and overall catalysis efficiency, which is inspired by multienzyme complexes (MECs) in nature. The neutrophil membrane was coated onto USPB@SeDMSN to endow the nanoplatforms with the ability to target atherosclerotic plaques. In vitro and in vivo results demonstrated that this nature-inspired enzyme cascade nanoreactor efficiently mitigated inflammation in macrophages and endothelial cells by scavenging various radicals and inhibited foam cell formation by reducing lipid accumulation in macrophages. Moreover, it has significant antiaging effects, protecting DNA from oxidative damage and slowing the onset of cell senescence. By conducting confined SOD-CAT/GPx cascade reactions for high-efficiency plaque microenvironment modulation, the USPB@SeDMSN@NM nanoreactor offers a powerful modality for targeted atherosclerosis therapy. This work highlights the potential of this biomimetic confined nanoreactor with cascaded multienzyme-like activities as an antioxidant and antisenescence agent for atherosclerosis treatment. Nanoreactor ; Oxidative stress ; Reactive oxygen species ; Superoxide dismutase ; Catalase ; In vivo ; Inflammation ; Glutathione peroxidase Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanoparticles: synthesis and applications
Authors: Meklit Worku | Barnabas Otoo
Source: ChemRxiv (article, 2026-02-23)
Field: Chemistry — Organic Chemistry

Boron-mediated synthesis of phthalides Phthalides represent a privileged class of -heterocyclic lactones with significant biological activity and industrial utility.Despite their importance, the modular construction of highly functionalized phthalides typically requires transition-metal catalysts or sensitive organometallic precursors.We report a transition-metal-free, boron-mediated tandem aldolization-transesterification protocol for the divergent synthesis of C3-functionalized phthalides.By leveraging the unique Lewis acidity and oxophilicity of trivalent boron, methyl 2formylbenzoate is reacted with a broad array of bis-boron enediolates derived from carboxylic acids to furnish target heterocycles in generally excellent yields and high diastereoselectivities.-Heterocyclic lactones constitute fundamental architectural cornerstones in natural product biosynthesis and contemporary medicinal chemistry. [1][2]2][3] Within this class, the ,-unsaturated butenolide moiety is a preeminent privileged motif, underpinning the bioactivity of diverse entities Butenolide ; Moiety ; Isocoumarins ; Natural product ; Catalysis ; Tandem Organoboron and organosilicon chemistry ; Catalytic C–H Functionalization Methods ; Coordination Chemistry and Organometallics
Authors: Hiroshi Suzuki | Tsuyoshi Nishikawa | Makoto Ouchi
Source: Polymer Chemistry (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Property modulation of poly(vinyl alcohol)s <i>via</i> controlled incorporation of α-methyl groups using alkenylboron monomers We synthesized partially α-methylated poly(vinyl alcohol)s (PVAs), which are difficult to obtain using conventional methods, through radical copolymerization of vinyl- and isopropenyl-type boron monomers followed by side-chain oxidation. Monomer ; Copolymer ; Modulation (music) ; Boron ; Property (philosophy) ; Polymer Organoboron and organosilicon chemistry ; Advanced Polymer Synthesis and Characterization ; Radical Photochemical Reactions
Authors: Meriem Goudjil | Carlo Andrea Mattei | Leonardo Tacconi | Laura Chelazzi | Mauro Perfetti
Source: Dalton Transactions (article, 2026-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Unusual slow magnetic relaxation in a sulfate-bridged copper( <scp>ii</scp> ) complex with 1-(2-pyridylazo)-2-naphthol ligand We report an unprecedented one-pot route synthesis and in-depth characterizations of a new binuclear copper(II) complex with the tridentate PAN ligand (1-(2-pyridylazo)-2-naphthol). The compound of formula [Cu<sub>2</sub>(μ-SO<sub>4</sub>)(PAN)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>] was isolated as a highly crystalline material, where the two copper(II) centers are connected by a sulfate bridge. Single-crystal X-ray diffraction (SC-XRD) combined with UV-Vis spectroscopy confirms a square-pyramidal coordination around each Cu(II) center in both the solid state and solution. Remarkably, magnetic studies revealed an unconventional slow magnetic relaxation under applied dc fields, characterized by three field-dependent processes spanning more than four orders of magnitude in frequency. These findings broaden the design space of transition-metal molecular magnets by showing that simple sulfate bridging and π-conjugated ligands can engender complex relaxation dynamics in Cu(II) dimers. Magnetic relaxation ; Relaxation (psychology) ; Ligand (biochemistry) ; Solid-state ; Diffraction ; Sulfate ; Bridging ligand ; Nuclear magnetic resonance spectroscopy Magnetism in coordination complexes ; Metal complexes synthesis and properties ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Vandana Aggarwal | D. Anandha Prakash Singh | Vandna Nishal | Anuj Dalal | Sumit Kumar | Rajender Singh Malik | Parvin Kumar | Jayant Sindhu | Varun Kumar
Source: Materials Advances (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

UV-induced near-white visible emission in dinuclear Tb( <scp>iii</scp> ) complexes: a photophysical, theoretical and computational study on fluxidentate ligand bridging and coordination geometry In this work, three Tb( iii ) complexes, TbA, TbM and TbD, were synthesized using 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione (TTBD) and pyrazine (pyz) as antenna moieties. Bridging (networking) ; Pyrazine ; Bridging ligand ; Ligand (biochemistry) ; Coordination geometry ; Emission spectrum Lanthanide and Transition Metal Complexes ; Organic Light-Emitting Diodes Research ; Magnetism in coordination complexes
Authors: Nathaniel G. Larson | Matthew Sandin | Sharon R. Neufeldt
Source: Organometallics (article, 2026-02-20)
Field: Chemistry — Organic Chemistry

Selectivity for Exhaustive Cross-Coupling of Dihaloarenes Is Affected by the Interplay between the Halide Byproduct, Solvent, and Ligand In dihaloarene cross-couplings, the step(s) that take place after reductive elimination and before the start of the next cycle influence selectivity for mono- versus difunctionalization. When palladium is supported by a bulky ligand "L", a competition exists between a second oxidative addition (leading to difunctionalization) and bimolecular displacement of Pd<sup>0</sup> from the monofunctionalized product by a second smaller ligand. Because oxidative addition of Ar-Br is faster than Ar-Cl, more difunctionalization might be expected with dibromoarenes compared to dichloroarenes. However, the opposite has been reported in some Suzuki-Miyaura cross-couplings. Here, we report that the selectivity outcome is closely tied to solvents: dibromoarenes tend to give less diarylation than dichloroarenes in oxygen-containing solvents of at least moderate polarity (e.g., THF), whereas high selectivity for diarylation can be achieved in most aromatic and chlorinated solvents. The results suggest that, in polar oxygen-containing solvents, the bromide anion byproduct displaces LPd<sup>0</sup> from the mono-cross-coupled product. The rate of this process is competitive with the rate of intramolecular oxidative addition en route to the diarylated product. In contrast, the analogous displacement of Pd<sup>0</sup> by chloride (the byproduct when using dichloroarenes) appears to be a much slower process, if it occurs at all. Selectivity ; Intramolecular force ; Ligand (biochemistry) ; Bromide ; Reductive elimination ; Halide ; Oxidative addition ; Chloride Catalytic Cross-Coupling Reactions ; Coordination Chemistry and Organometallics ; Catalytic C–H Functionalization Methods
Authors: Dripta De Joarder | Rajarshi Sarkar | Dilip K. Maiti
Source: Chemistry - An Asian Journal (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Recent Advances in Palladium‐Catalyzed Functionalization of Carbohydrate Frameworks Carbohydrates are essential biomolecules that play critical roles in biological processes such as energy storage, cellular communication, and immune response regulation. Their structural complexity arises primarily due to the presence of various hydroxyl groups and stereocenters, which presents significant challenges for structural modification and functionalization. Traditional carbohydrate functionalization strategies often necessitate multiple protecting groups and harsh reaction conditions. This in turn limits their efficiency and synthetic flexibility. In recent years, transition metal catalysis, particularly palladium-mediated protocols, has emerged as a powerful tool for selective and efficient carbohydrate functionalization under mild conditions. Palladium catalysis has enabled diverse transformations, including glycosylation, C─C and C─X (X = O, N, S) bond formation, and regioselective derivatization, significantly expanding the chemical space of carbohydrates and glycoconjugates. This review provides a comprehensive analysis of recent advancements in palladium-catalyzed carbohydrate functionalization over the past 8 years, with a focus on synthetic strategies, mechanistic insights, and practical applications. By highlighting the latest developments and future directions, this review aims to serve as a valuable resource for the researchers working at the interface of carbohydrate chemistry, catalysis, and biomedical sciences. Surface modification ; Biomolecule ; Carbohydrate chemistry ; Carbohydrate ; Regioselectivity ; Context (archaeology) Carbohydrate Chemistry and Synthesis ; Click Chemistry and Applications ; Supramolecular Self-Assembly in Materials
Authors: Jie Xu | Wenna Tang | Weilin Liu | Yu Jiang | Qianglong Fang | Zihao Wan | Yujian Zhu | Guowen Yuan | Lei Wang | Ming‐Gang Ju | Libo Gao
Source: Nature Communications (article, 2026-03-28)
Field: Materials Science — Materials Chemistry

Two-dimensional crystals catalyse hydrogen into protons Two-dimensional (2D) crystals with atomic-level thickness dramatically shorten the gas transport pathways, rendering it exceptionally promising for separation membrane applications. While defect-free 2D crystals such as graphene have long been considered impermeable to all gases, recent studies show that pristine monolayer graphene permits room-temperature hydrogen permeation. However, the identity of the permeating species and its generalizability to other 2D materials remain unclear. Herein, we report hydrogen permeation behavior through varying 2D crystals at elevated temperature, and the hydrogen permeability of graphene can reach up to 10<sup>17 </sup>s<sup>-1</sup>m<sup>-2</sup> as the form of protons. This process is evidenced by three critical steps: 2D crystals-assisted catalytic dissociation of hydrogen into protons, protons permeation through the 2D crystals lattice, and proton recombination after permeation. Interestingly, the activation energy remains invariant with the layer number of 2D crystals, but the permeability and activation energy can be modulated by the type of materials, adsorbed metal nanoparticles, and the external atmosphere. These findings reveal a catalysis-driven proton permeation mechanism, and fundamentally deepen the understanding of hydrogen permeation through 2D crystals. Permeation ; Hydrogen ; Graphene ; Dissociation (chemistry) ; Monolayer ; Membrane ; Catalysis ; Metal Graphene research and applications ; Fuel Cells and Related Materials ; 2D Materials and Applications
Authors: Fariba Ezzatabadipour | Zahra Ghasemi | Mehdi Haji Abdolrasouli
Source: Scientific Reports (article, 2026-02-16)
Field: Materials Science — Biomaterials

Green fabrication of PVA based biofilms incorporated with shrimp shell derived chitosan, plasticized with PEG or Gly and reinforced by biosynthesized ZnO nanoparticles This study reports the development of eco-friendly nanocomposite biofilms (NCBFs) based on Polyvinyl alcohol (PVA) and chitosan extracted from shrimp shells (SSDCs), reinforced with biosynthesized zinc oxide nanoparticles (BioZnO NPs) derived from Avicennia marina leaf extract. Polyethylene glycol (PEG) and glycerol (Gly) were incorporated as plasticizers to enhance film flexibility and processability. The resulting NCBFs were characterized using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), tensile testing, migration stability analysis, and water vapor permeability measurements. XRD analysis confirmed the high-purity crystalline phase of BioZnO NPs and revealed characteristic diffraction peaks corresponding to both BioZnO NPs and SSDCs within the NCBF matrices, thereby validating successful composite formation. Incorporation of BioZnO NPs at an optimum concentration significantly enhanced tensile strength (59.91 MPa), elongation at break (93.56%), and elastic modulus (66.76 MPa), while simultaneously reducing water vapor transmission (0.48 × 10<sup>-6</sup> g.m/m<sup>2</sup>.h.pa) and polymer migration. In contrast, films prepared without BioZnO NPs exhibited reduced tensile strength (39.85 MPa) and flexibility, alongside a substantially increased elastic modulus (507 MPa), highlighting the reinforcing role of the nanoparticles. Furthermore, variations in SSDCs content influenced film flexibility, with lower SSDCs concentrations yielding more flexible films. Overall, the optimized NCBFs demonstrated superior mechanical and barrier properties, indicating strong potential for sustainable packaging applications. The use of natural polymers and BioZnO NPs offers a cost-effective and environmentally benign alternative to conventional petroleum-based plastics, contributing to the mitigation of plastic pollution. Ultimate tensile strength ; Polyvinyl alcohol ; Polymer ; Nanoparticle ; Nanocomposite ; Polyethylene glycol ; Plasticizer ; Composite number Nanocomposite Films for Food Packaging ; biodegradable polymer synthesis and properties ; Polymer Science and PVC
Authors: Aiping Yao | Changyan Zhu | Jun Liu | Hongliang Xu | Kuizhan Shao | Chunyi Sun | Chao Qin | Xinlong Wang | Hongying Zang | Zhongmin Su | Donglin Jiang
Source: Nature Communications (article, 2026-01-19)
Field: Materials Science — Materials Chemistry

Enhanced proton conductivity in azole-functionalized three-dimensional crystalline covalent organic frameworks Proton conduction pathways and mechanisms in covalent organic frameworks (COFs) have long been obscured by polycrystalline disorder. Here we report a solvent-free melt-phase post-synthetic modification (PSM) strategy that enables precise functionalization of three-dimensional single-crystalline COFs while preserving crystallinity. This methodology overcomes the limitations of solvent-mediated PSM by operating above the melting point of azole reagents, ensuring homogeneous pore accessibility without solvent occlusion. Applied to archetypal imine-linked COF-300, the method achieves crystallographically resolved conversion of fragile imine bonds (C = N, 1.245 Å) into robust amine linkages (C-N, 1.415 Å), concurrently covalently anchoring of proton-conductive azoles (C-N, 1.487 Å) on the COFs skeleton. The resulting azole-functionalized COFs (COF-300-1,2,3-triazole, COF-300-1,2,4-triazole, COF-300-pyrazole) exhibit intrinsic anhydrous superprotonic conductivity reaching 4.35 × 10<sup>-3</sup> S cm<sup>-1</sup> at 170 °C, with low activation energies (0.153-0.186 eV). Atomic-resolution crystallography and DFT calculations reveal that rigid hydrogen-bond networks eliminate thermal barriers for proton hopping, establishing a definitive structure-property correlation for proton transport in single-crystal COFs. This work pioneers a versatile platform for functionalizing 3D crystalline porous materials under solvent-free conditions. Covalent bond ; Proton ; Surface modification ; Anhydrous ; Conductivity ; Imine ; Covalent organic framework ; Dynamic covalent chemistry ; Proton transport Covalent Organic Framework Applications ; Fuel Cells and Related Materials ; Conducting polymers and applications
Authors: Caroline Gonçalves | Agustín Morales | Léon Escomel | Hossam Farouk | Laure Vendier | Antoine Simonneau | Agustí Lledós | Olivier Baslé | Sébastien Bontemps
Source: JACS Au (article, 2026-02-24)
Field: Chemistry — Organic Chemistry

Air- and Water-Persistent C-Centered Radical Anion Based on FLP-Type-Activated CO <sub>2</sub> Organic radicals play pivotal roles in chemistry, biology, and materials science. Although typically short-lived and highly reactive, considerable efforts have been devoted to stabilizing open-shell molecules to better understand their properties and expand their applications. Among them, air-persistent organic radicals (APORs) stand out as benchmarks of stability. Herein, we report the first air- and water-persistent radical anion derived from CO<sub>2</sub>. This species is generated from an FLP-type-activated CO<sub>2</sub> adduct comprising an <i>N</i>-heterocyclic carbene (NHC) as the Lewis base and a ditopic perfluorinated diborane as the Lewis acid. Combined experimental and theoretical studies reveal that both thermodynamic and kinetic factors contribute to the remarkable stability of this open-shell system. Ion ; Yield (engineering) ; Catalysis ; Radical ; Decomposition Supramolecular Chemistry and Complexes ; Covalent Organic Framework Applications ; Luminescence and Fluorescent Materials
Authors: Thi Huyen My Dang | Anam Fatima | Maxime Lajoye | C. Falaise | Emmanuel Cadot | Adèle Renaud | Serge Paofai | Rachel Meallet | Céline Dablemont | Karine Steenkeste | Stéphane Cordier | Mohamed Haouas | Thomas Pino | Minh-Huong Ha-Thi
Source: Inorganic Chemistry (article, 2026-03-12)
Field: Materials Science — Materials Chemistry

Supramolecular Control of Photoinduced Electron Transfer between Tungsten Halide Clusters and Polyoxometalates in Water Identifying systems composed of earth-abundant elements capable of photoinduced electron-transfer represents a major breakthrough for the development of sustainable photocatalytic processes. Herein, we demonstrate that octahedral tungsten-halide clusters constitute a promising new class of robust photosensitizers, owing to their exceptional chemical stability, intense luminescence, and long-lived triplet excited states. Upon irradiation in aqueous solution, these species transfer an electron to polyoxometalates (POMs), well-known molecular catalysts capable of multielectron redox chemistry. More specifically, we investigate the photophysical properties of supramolecular systems combining the cluster-based motif [{W<sub>6</sub>I<sup>i</sup><sub>8</sub>}Cl<sup>a</sup><sub>6</sub>]<sup>2-</sup> and a series of archetypal POMs ([PW<sub>12</sub>O<sub>40</sub>]<sup>3-</sup>, [SiW<sub>12</sub>O<sub>40</sub>]<sup>4-</sup>, [BW<sub>12</sub>O<sub>40</sub>]<sup>5-</sup>, [P<sub>2</sub>W<sub>18</sub>O<sub>62</sub>]<sup>6-</sup>) as electron-acceptor units, in the presence of γ-cyclodextrin (γ-CD), which acts as both a supramolecular assembly scaffold and a stabilizing agent. The photoinduced electron-transfer process was investigated using steady-state and time-resolved optical spectroscopy, complemented by spectro-electrochemical measurements, which unambiguously confirm electron transfer from the excited cluster to the POMs. Furthermore, we demonstrate that both the ionic charge of the POMs and the presence of γ-CD significantly influence the efficiency of the process. This work highlights the dual role of γ-CD, which facilitates the association of two negatively charged inorganic units and stabilizes the charge-separated state by maintaining an appropriate spatial arrangement within the supramolecular assembly. Photoinduced electron transfer ; Supramolecular chemistry ; Excited state ; Supramolecular assembly ; Photoinduced charge separation ; Electron transfer ; Photocatalysis ; Ionic bonding Polyoxometalates: Synthesis and Applications ; Metalloenzymes and iron-sulfur proteins ; Inorganic Chemistry and Materials