jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xuzi Liu | Zhaohua SONG | Lu Zeng | Li Jun Qu | Yi JIAO | Feng Jiang | Dacheng LI | Huicheng Yan | Jianli Wang | Yaoqiang CHEN
Source: Journal of Inorganic Materials (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Deactivation Mechanism of Pd Only Three-way Catalysts under Aging Temperature Gradient Pd/CZA catalyst composed of third-generation oxygen storage material CeO2-ZrO2-Al2O3 (CZA) loaded only with Pd represents a practical three-way catalyst (TWC) owing to its exceptional pollutant conversion efficiency and sintering resistance.Although the thermal degradation mechanism of Pd-based TWC has been confirmed to be closely associated with Pd sintering and the weakening of metal-support interaction (MSI), a systematic investigation into its thermal aging behavior under an extreme high temperature gradient remains necessary.A series of Pd/CZA catalysts aged at 800-1000 were prepared in this study and their thermal degradation was systematically explored, presenting a pioneering investigation into the evolution pattern of the microchemical state of Pd with aging temperature gradient.The correlation among the microchemical state of Pd, MSI and aging resistance was evaluated through different characterization techniques.The results showed that catalytic activity exhibited a nonlinear decay with increasing aging temperature.Catalytic performance declined sharply in the range of 850-900 , with increases of 26-40 and 39-67 for T50 and T90 (the temperatures at which the pollutant conversions are 50% and 90%, respectively) of carbon monoxide (CO), nitric oxide (NO) and hydrocarbon (HCs), while showed little variation within the range of 900-1000 C.The underlying reason for this sharp decline in activity is an abrupt transformation in the microchemical state of Pd.When the aging temperature increases to 900 C, the Pd-O-Ce bond is weakened, which compromises the MSI.Consequently, Pd particles become unanchored, undergo rapid sintering and growth, and exhibit diminished capabilities for adsorbing and activating both reactants and oxygen. Catalysis ; Mechanism (biology) ; Temperature gradient ; Reaction mechanism ; Palladium Catalytic Processes in Materials Science ; Catalysts for Methane Reforming ; Catalysis and Oxidation Reactions
Authors: Sandeep Chandrashekharappa | Gopavaram Sumanth | Surbhi Mahender Saini | Kyatagani Lakshmikanth | Gayakvad Sunitaben Mangubhai | Subrata Barick | Sandya Tambi Dorai | Priya Tiwari
Source: Asian Journal of Organic Chemistry (article, 2026-02-01)
Field: Chemistry — Organic Chemistry

A Pyrrole Formation During the Synthesis of Novel Pyrrolo[1,2‐ <i>a</i> ]Imidazole via Cycloaddition Reaction of Imidazolium Salts With Electron Deficient Acetylenes ABSTRACT An unusual pyrrole by‐product formation has been discovered during the synthesis of pyrrolo[1,2‐ a ]imidazole from imidazolium bromides and electron‐deficient acetylenes. The methodology proceeds smoothly under mild conditions, affording 5‐benzoyl‐pyrrolo[1,2‐ a ]imidazole derivatives in moderate‐to‐good yields. Interestingly, the study revealed an unusual side reaction: moisture‐mediated ring opening of the imidazole nucleus, leading to pyrrole derivatives through an enamine hydrolysis pathway. Substrate scope investigations highlighted a striking selectivity while phenacyl bromides furnished both pyrrolo[1,2‐ a ]imidazoles and pyrroles, 2‐bromoacetonitrile derived imidazolium bromide ( 9 ) exclusively yielded pyrrole by‐product as a major ( 12b and 13b) suggesting the nitrile group plays a decisive role in product distribution. Pyrrole ; Nitrile ; Cycloaddition ; Phenacyl ; Enamine ; Imidazole ; Substrate (aquarium) ; Selectivity Synthesis and Characterization of Pyrroles ; Synthesis and Reactivity of Heterocycles ; Multicomponent Synthesis of Heterocycles
Authors: Michel Große | Christopher Marco Leonhardt | Hermann A. Wegner
Source: Organic Chemistry Frontiers (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Modular assembly of conformationally dynamic dinaphthocycloocta-1,5-dienes A Lewis acid-catalyzed inverse electron-demand Diels–Alder sequence enables the stepwise annulation of naphthalene units onto a cyclooctadiene scaffold, affording conformationally dynamic fused polycycles. Modular design ; Sequence (biology) ; Naphthalene ; Inverse ; Annulation Synthesis and Properties of Aromatic Compounds ; Supramolecular Chemistry and Complexes ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Stuart Burnett | Scott Miller | Fáinché Murphy | Catherine Weetman
Source: Strathprints: The University of Strathclyde institutional repository (University of Strathclyde) (article, 2026-03-20)
Field: Chemistry — Organic Chemistry

NHC-stabilized early main group species : reactivity and emerging catalysis N-Heterocyclic carbenes are commonplace in modern-day homogeneous catalysis due to their easily tunable steric and electronic features. Within the main group elements, NHCs have enabled the isolation of a range of complexes in unusual coordination environments and/or low oxidation states. With significant research efforts developing the transition-metal-like behavior of main group elements, emerging trends are now starting to showcase the potential of NHCs in enabling catalytic application of main group elements. This perspective highlights the potential of NHCs to transform main group catalysis, including a focus on relatively underexplored tethered and bis-NHC complexes for early main group elements. Steric effects ; Reactivity (psychology) ; Group (periodic table) ; Catalysis ; Homogeneous ; Perspective (graphical) ; Homogeneous catalysis N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Synthesis and characterization of novel inorganic/organometallic compounds ; Organoboron and organosilicon chemistry
Authors: Maryam Behzad Khoshgoee | Mithun Kumar Debnath | Griffin Pardo | Yichun Yuan | Muhammad Zeeshan | Erqian Mao | Thomas Gray | Burcu Gurkan | Matthew J. Bertin | Metin Karayilan
Source: RSC Applied Polymers (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Multi-responsive polymers with degradable side-chain functionality for controlled hydrolysis and tunable thermal transition Dual-responsive terpolymers with hydrolytically labile side chains exhibit tunable phase transitions, degradation kinetics, and radiofrequency-triggered thermal responses, offering a versatile platform for injectable and programmable biomaterials. Polymer ; Degradation (telecommunications) ; Hydrolysis ; Hydrolytic degradation ; Thermal ; Sensitivity (control systems) Advanced Polymer Synthesis and Characterization ; Hydrogels: synthesis, properties, applications ; Synthetic Organic Chemistry Methods
Authors: Jake L. Nicholson | Samuel J. Kempel | Ángel Rentería‐Gómez | Ting-Wei Hsu | Antoine C Gravet | Caroline Gallo | Osvaldo Gutiérrez | Quentin Michaudel
Source: ChemRxiv (article, 2026-02-05)
Field: Chemistry — Organic Chemistry

Leveraging Mechanistic Insights into Stereoretentive ROMP for Precision Synthesis of Poly(p-phenylene vinylene)s Poly(p-phenylene vinylene) (PPV) is an important class of conjugated polymers whose properties are largely dictated by structural parameters such as backbone regioregularity, defect content, alkene geometry, sidechain structure, and the sequence of repeat units.Despite decades of development and applications spanning optoelectronic devices to biomedical imaging, a controlled, defect-free polymerization method that affords predictable command over all structural attributes of PPVs has remained elusive.We report herein the synthesis of a variety of regioregular and stereodefined PPVs through stereoretentive ringopening metathesis polymerization (ROMP) of electronically and sterically diverse [2.2]paracyclophane-1,9-dienes (PCDs).Computational studies were combined with experimental findings to uncover structural design principles underlying controlled propagation as well as regio-and stereoselectivity.These findings were harnessed to access well-defined one-shot gradient and block PPV copolymers, as well as unprecedented stereoblocks with cis and trans block geometries through in-situ photoisomerization.The influence of monomer composition and alkene geometry on the optical properties of the synthesized PPVs was also investigated.The exceptional structural control achieved through stereoretentive ROMP of PCDs establishes a unique platform for the precise synthesis of PPVs with tailored properties. ROMP ; Key (lock) ; Process (computing) ; Identification (biology) ; Coupling (piping) Synthesis and Properties of Aromatic Compounds ; Advanced Polymer Synthesis and Characterization ; Covalent Organic Framework Applications
Authors: Deepak Chaurasiya
Source: Exploration of BioMat-X (article, 2026-01-25)
Field: Materials Science — Biomaterials

SABER for life saving: dynamic peptide hydrogels as a frontier in long-acting therapeutics Hydrogels are among the most intensively studied biomaterials for controlled drug delivery, yet translation to routine clinical practice has been limited by rapid diffusion of small molecules and instability of biologics. In their recent report in Nature Nanotechnology (Pogostin et al., 2025, DOI: 10.1038/s41565-025-01981-6), a team from Rice University and collaborators present a nanofibrous supramolecular peptide hydrogel system that addresses these challenges through the incorporation of dynamic covalent chemistry. The SABER (Self-Assembling Boronate Ester Release) platform introduces reversible boronate ester bonds between engineered peptide fibers and boronic acid modified therapeutics, creating a tunable and long-acting drug release system. Proof-of-concept applications included tuberculosis therapy, diabetes management, and prolonged antibody delivery, demonstrating both versatility and clinical relevance. In this Commentary, I situate this advance within the broader trajectory of hydrogel research, highlight the conceptual novelty of dynamic supramolecular interactions, and discuss the opportunities and challenges for clinical translation. I argue that this platform signals a paradigm shift in drug delivery, moving hydrogels from passive depots to dynamic partners in medicine. Self-healing hydrogels ; Supramolecular chemistry ; Peptide ; Nanofiber ; Scaffold ; Modularity (biology) ; Novelty ; Covalent bond Supramolecular Self-Assembly in Materials ; Organoboron and organosilicon chemistry ; Hydrogels: synthesis, properties, applications
Authors: Pelayo García‐Acevedo | María Luz Alonso‐Alonso | Sara Ortega‐Espina | Manuel Bañobre‐López | Yolanda González Piñeiro | Ramón Iglesias‐Rey | José Rivas
Source: Small (article, 2026-02-03)
Field: Materials Science — Biomaterials

Ligand‐Driven Optimization of Iron Oxide Nanoprobes for In Vivo MRI Enhancement at Ultra‐High Field Ultra-high-field magnetic resonance imaging (UHF-MRI, B<sub>0</sub> > 7 T) combined with contrast enhancement (CE-MRI) offers unmatched spatial resolution, but high-field effects limit the performance of negative contrast agents. Here, we report a ligand-driven strategy to modulate the T<sub>2</sub> relaxivity (r<sub>2</sub>) of monodisperse 12 nm iron oxide-based contrast agents synthesized by thermal decomposition. Five surface chemistries-polyacrylic acid (PAA), poly(isobutylene-alt-maleic anhydride) (PMA), poly(maleic anhydride-alt-1-octadecene) (PMAO), citric acid (CA), and silica (SiO<sub>2</sub>)─ were investigated under physiological conditions and in vivo using relaxometry (1.4 T), clinical (3 T), and UHF (9.4 T) MRI, achieving up to a 333 mm<sup>-</sup> <sup>1</sup> s<sup>-</sup> <sup>1</sup> increase in r<sub>2</sub>. CA-coated T<sub>2</sub> contrast agents exhibited record-high r<sub>2</sub> values (522 mm<sup>-</sup> <sup>1</sup> s<sup>-</sup> <sup>1</sup> at 3 T; 381 mm<sup>-</sup> <sup>1</sup> s<sup>-</sup> <sup>1</sup> at 9.4 T) in spherical iron oxide MNPs within the superparamagnetic size range (d < 20 nm). Correlations of r<sub>2</sub> with hydrodynamic size, ζ-potential, and coating thickness revealed that ligand chemistry-specifically hydrophilicity and anionic surface charge-dominates over physical shell dimensions in governing water accessibility and magnetic dephasing. This scalable ligand-exchange strategy enables precise T<sub>2</sub> tuning at UHF, with phantom results reliably predicting in vivo UHF-MRI performance in rat brain models, advancing the design of neuroimaging nanoprobes. Iron oxide ; Superparamagnetism ; In vivo ; Magnetic resonance imaging ; Dispersity ; Imaging phantom ; Relaxometry ; Contrast (vision) ; Citric acid Nanoparticle-Based Drug Delivery ; Lanthanide and Transition Metal Complexes ; Ultrasound and Hyperthermia Applications
Authors: Sunday Mathew Ajayi | Samuel Olalekan Olusanya | Sunday F. Abimbade | Emmanuel G. Olumayede | Abdulhakeem Dapo Olasupo
Source: Discover Chemistry. (article, 2026-01-18)
Field: Materials Science — Materials Chemistry

Synthesis and morphological characterisation of mesoporous biosilica from oil palm male inflorescence With the increasing demand for mesoporous silica in various applications couple with the high cost of silica precursors and the environmental implications associated with the synthetic mesoporous silica, there is a pressing need for sustainable alternatives. Consequently, this study sought to synthesize mesoporous biosilica from oil palm male inflorescence. The preparation was performed in ethanol-water and propanol-water systems using CTAB as the pore-directing agent. The structural and surface morphological characteristics of the synthesized aggregated mesoporous biosilica were characterized using optical microscopy, FTIR, EDX, SEM, XRD, and BET. FTIR revealed structural bonding (Si–O–Si, Si-OH, and O-H groups), while EDX indicated elemental compositions. Optical microscopy and SEM images revealed irregular shapes and sizes across different quantities of CTAB, indicating that the surface of mesoporous biosilica can be tailored for certain applications, akin to synthetic mesoporous silica. XRD indicated a high degree of amorphous characteristics with crystallinity ranging from 3 to 10%. BET analysis revealed that mesoporous biosilica synthesized in ethanol-water and propanol-water systems exhibited average pore volumes of 0.6193 and 0.5722 cm³/g, respectively, and an average pore diameter of 10–14 nm. These findings highlight the potential of mesoporous biosilica derived from oil palm male inflorescence as viable alternative to synthetic mesoporous silica, with potential applications in catalysis, pharmaceuticals, food, cosmetics, and engineering. Mesoporous material ; Crystallinity ; Fourier transform infrared spectroscopy ; Mesoporous silica ; Mesoporous organosilica ; Palm oil Mesoporous Materials and Catalysis ; Aerogels and thermal insulation ; Silicon Nanostructures and Photoluminescence
Authors: Luis Tarifa | Judit Cano-Asensio | José A. López | Cristina Tejel | Ana M. Geer
Source: Nature Communications (article, 2026-02-07)
Field: Chemistry — Organic Chemistry

Cooperative anion activation at a cobalt center through ion pairing and ligand design Weakly coordinating anions (WCAs) are commonly used to stabilize high-valent, electrophilic transition-metal complexes, owing to their low nucleophilicity and minimal coordinating ability. Here, we present a cobalt platform supported by a tris(2-pyridyl)(N-picolyl)imidazolidine ligand (Py<sub>4</sub>Im) that generates a directional, protic cavity for ion pairing. This environment enables a comparative study of BF<sub>4</sub><sup>-</sup> and PF<sub>6</sub>⁻, showing that PF<sub>6</sub>⁻ undergoes fluoride abstraction under mild conditions, while BF<sub>4</sub><sup>-</sup> remains unreactive unless assisted by a Lewis base. The PF<sub>6</sub>⁻ activation yields a well-defined Co<sup>III</sup>-F complex that acts as an efficient nucleophilic fluoride source. DFT calculations and diffusion NMR experiments highlight the critical role of anion-cation pairing in modulating reactivity, overriding intrinsic thermodynamic preferences. These findings showcase supramolecular control of WCA activation by a late transition metal and provide new design principles for reactivity modulation via counterion selection. Nucleophile ; Ligand (biochemistry) ; Counterion ; Reactivity (psychology) ; Cobalt ; Supramolecular chemistry ; Electrophile ; Fluoride ; Pairing Organometallic Complex Synthesis and Catalysis ; Coordination Chemistry and Organometallics ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry
Authors: Huy L. Nguyen | Thi B. N. Nguyen
Source: Sustainability (article, 2026-04-07)
Field: Chemistry — Inorganic Chemistry

Metal-Doped and Surface-Functionalized ZIF-8 Nanoplatforms for Antimicrobial Applications in Food and Environmental Systems Zeolitic imidazolate framework-8 (ZIF-8) is one of the most extensively studied metal–organic frameworks due to its high surface area, tunable porosity, chemical stability, and intrinsic antimicrobial activity. Recent research has focused on engineering ZIF-8 through metal doping and surface functionalization to enhance its physicochemical performance and expand its applications in food safety and environmental systems. Metal-doped ZIF-8 incorporating Cu2+, Fe2+/Fe3+, Ag+, or Mn2+ improves reactive oxygen species generation, enables controlled metal-ion release, and promotes synergistic bactericidal mechanisms against both Gram-positive and Gram-negative pathogens. In parallel, surface modification using biopolymers such as hyaluronic acid, chitosan, alginate, and polyethylene glycol enhances colloidal stability, reduces cytotoxicity, modulates surface charge, and improves adhesion to food-contact surfaces, thereby enhancing coating stability and sustained antimicrobial activity. These combined strategies support the development of multifunctional nanoplatforms with improved dispersibility, controlled release behavior, and compatibility with food packaging, sanitization, and water treatment applications. From a sustainability perspective, ZIF-8-based systems offer the potential to reduce reliance on conventional chemical disinfectants, minimize chemical residues, and enable the integration of biodegradable polymer matrices for safer and more environmentally responsible antimicrobial solutions. This review summarizes recent advances in synthesis strategies, structure–property relationships, antimicrobial and antibiofilm mechanisms, and environmental safety considerations. Key challenges, including scalability, regulatory acceptance, stability, and long-term ecotoxicological impact, are discussed, along with perspectives on stimuli-responsive systems, essential oil encapsulation, and smart antimicrobial coatings. Surface modification ; Antimicrobial ; Coating ; Biofouling ; Self-healing hydrogels ; Sustainability ; Biofilm ; Polyethylene glycol Metal-Organic Frameworks: Synthesis and Applications ; Antimicrobial agents and applications ; Nanocomposite Films for Food Packaging
Authors: Stuart Burnett | Scott Miller | Fáinché Murphy | Catherine Weetman
Source: ACS Catalysis (article, 2026-02-27)
Field: Chemistry — Organic Chemistry

NHC-Stabilized Early Main Group Species: Reactivity and Emerging Catalysis <i>N</i>-Heterocyclic carbenes are commonplace in modern-day homogeneous catalysis due to their easily tunable steric and electronic features. Within the main group elements, NHCs have enabled the isolation of a range of complexes in unusual coordination environments and/or low oxidation states. With significant research efforts developing the transition-metal-like behavior of main group elements, emerging trends are now starting to showcase the potential of NHCs in enabling catalytic application of main group elements. This perspective highlights the potential of NHCs to transform main group catalysis, including a focus on relatively underexplored tethered and bis-NHC complexes for early main group elements. Steric effects ; Catalysis ; Reactivity (psychology) ; Group (periodic table) ; Homogeneous catalysis ; Homogeneous ; Electronic effect N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Synthesis and characterization of novel inorganic/organometallic compounds ; Ammonia Synthesis and Nitrogen Reduction
Authors: Robert Conka | Yoshi W. Marien | Kevin M. Van Geem | Paul H. M. Van Steenberge | Richard Hoogenboom | Dagmar R. D’hooge
Source: ACS Polymers Au (article, 2026-03-06)
Field: Chemistry — Organic Chemistry

Gradient Copolymers: A Complex Comonomer Incorporation Reality behind the Perfect Ideal Gradient copolymers, which feature a gradual transition in monomer composition along the polymer backbone, uniquely combine tunable material properties with inherent stochasticity at the molecular level, bridging the structure-property landscape between block and random copolymers. Their broad glass transition temperature range, self-assembly potential, and amphiphilic behavior, if they consist of hydrophilic and hydrophobic comonomer units, enable applications in damping materials, drug delivery, and cosmetics. Moreover, they are interesting potential substitutes for block copolymers based on their much simpler and cheaper production process. However, gradient copolymers are not as simple as often presumed because they emerge from less trivial monomer inclusion probability profiles that are determined by monomer reactivity ratios and/or feeding profiles. As a result, gradient copolymers exhibit significant compositional heterogeneity, even under idealized conditions (fast chain initiation; no side reactions; and no diffusional limitations). This perspective highlights the critical importance of compositional control and structural evaluation in gradient (tapered) copolymer synthesis, highlighting the relevance of calculating a set of structural deviation (SD) metrics using coupled matrix-based Monte Carlo (CMMC) simulations to assess structural quality. In parallel to experimental protocol development and design, SD metrics such as the average SD (⟨SD⟩), SD standard deviation (σ<sub>SD</sub>), SD skewness ( <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>μ̃</mml:mi> <mml:mrow><mml:mn>3</mml:mn> <mml:mo>,</mml:mo> <mml:mrow><mml:mi>S</mml:mi> <mml:mi>D</mml:mi></mml:mrow> </mml:mrow> </mml:msub> </mml:math> ), and coefficient of variation (CV<sub>SD</sub>) can be used to assess whether improved synthesis protocols are worthwhile or not. For a given synthesis recipe, a simultaneous SD evaluation with respect to block, gradient, block-gradient, and block-gradient-block targets is recommended based on a framework calibrated on the individual chain level. This facilitates the identification of the application scope of both exploratory and systematic research on gradient copolymer synthesis approaches. Comonomer ; Copolymer ; Skewness ; Monomer ; Monte Carlo method ; Standard deviation ; Set (abstract data type) ; Polymer Advanced Polymer Synthesis and Characterization ; Block Copolymer Self-Assembly ; biodegradable polymer synthesis and properties