jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Lei Wang | Xu Tan | Zequan Ma | Fanfei Jin | Siyu Ke | Shi‐Long Xu | Yinliang Huang | Xiaoge Li | Yu Gu
Source: Small (article, 2026-02-18)
Field: Chemistry — Inorganic Chemistry

Recent Advances in Synthesis of Small‐Sized Intermetallic Compounds and Their Applications in Selective Hydrogenation The well-defined and tunable structure of the intermetallic compounds (IMCs) has been extensively explored in various important heterogeneous catalysis and energy conversions in recent years. Nevertheless, the formation of an ordered structure typically requires high-temperature treatment to overcome kinetic barriers for atomic migration, which inevitably results in serious agglomeration and sintering of the nanoparticles. Therefore, it is critical to develop synthetic principles and strategies to suppress the aggregation of the IMCs, especially for noble metal catalysts, which can greatly improve metal atom utilization. In this review, we concentrate specifically on summarizing the synthetic protocols of small-sized IMCs and their catalytic performance for the selective hydrogenation of various unsaturated function groups. First, several typical preparation methods for small-sized IMCs are introduced. Subsequently, the application of IMCs in the selective hydrogenation of unsaturated functional groups in small organic molecules is discussed in detail. Finally, we highlight challenges encountered in understanding the synthetic processes, applications, and mechanistic insights of small-sized intermetallic compounds. Intermetallic ; Catalysis ; Noble metal ; Molecule ; Heterogeneous catalysis ; Sintering ; Metal Asymmetric Hydrogenation and Catalysis ; Nanomaterials for catalytic reactions ; Surface Chemistry and Catalysis
Authors: Edelman J. Espinoza-Suárez | Akhmet Bekaliyev | Leonardo Quesada‐Román | Laura Velasco‐Garcia | Carla Casadevall
Source: Small Structures (article, 2026-02-01)
Field: Materials Science — Biomaterials

Recent Advances in Vesicular Systems for Applications in Artificial Photosynthesis and Photocatalysis Biological membranes orchestrate multistep chemistry creating microenvironments, enabling selective transport and separating redox reactions, principles that, when translated into artificial vesicles, can unlock powerful platforms for photocatalysis. Vesicles that emulate biological membranes emerge as a unifying platform for compartmentalized photocatalysis to minimize charge‐recombination and cross‐reactivity, key challenges of homogeneous photocatalytic systems. Liposomes, polymersomes, and hybrid vesicles can be rationally designed as bioinspired artificial nanoreactors to create tunable microenvironments allowing precise control of light absorption, charge separation, unidirectional electron and proton transport, separation of oxidation and reduction reactions, and selective synchronized catalytic processes. Rapid progress has been made, particularly with liposomes, emphasizing proof‐of‐concept energy transfer and light‐driven transformations. However, several determinants of performance, such as control of membrane permeability, stability, or transmembrane transport, remain under‐addressed. This review covers the recent advances in artificial vesicles for compartmentalized photocatalysis, comparing their properties and assembly routes, showing how their properties affect their application. Vesicles have been demonstrated for energy transfer, proton/electron transfer, light‐driven oxidation, and reduction reactions relevant to artificial photosynthesis. By integrating insights from synthetic biology, polymer chemistry, and materials science, we identify key challenges, including long‐term stability and membrane tunability, and advance design principles for the next generation of compartmentalized photocatalytic platforms. Nanoreactor ; Artificial photosynthesis ; Photocatalysis ; Vesicle ; Membrane ; Redox ; Electron transfer ; Solar energy conversion Supramolecular Self-Assembly in Materials ; Covalent Organic Framework Applications ; Metalloenzymes and iron-sulfur proteins
Authors: Yannick Weidemann | Pouya Hosseini | Andrés Rodríguez‐Camargo | Lu Liu | Bashar Moussa | Daniel Gräf | Christian Ochsenfeld | Poul B. Petersen | Bettina V Lotsch | Kristina Tschulik
Source: ChemRxiv (article, 2026-03-06)
Field: Materials Science — Materials Chemistry

Controlling Confinement: Covalent Organic Frameworks induced Confinement of Water probed via EC-SEIRAS The study of confinement at the nanoscale in electrochemistry necessitates a well-understood bulk system, a way to induce reproducible confinement, and a method to probe the electrochemical/-catalytic behaviour at the interface. Herein, we utilize electrochemical surface enhanced infrared absorption spectroscopy (EC-SEIRAS) to characterize the potential-dependent behaviour of water confined in covalent organic framework (COF) films with varying nanopore sizes and chemical pore environments at a gold electrode. Combined with molecular dynamics (MD) simulations and solvation shell spectroscopy, we revealed an increased sensitivity of hydrogen-bonded water (H2OHB) as a function of the pore size in an isorecticular COF series as well as a coordinative chemical effect upon confinement. We additionally revealed a decreased sensitivity of H2OHB to the applied potential in these confined systems with respect to unmodified electrodes, providing a hitherto missing molecular level insight into the manifold observed effects of COF based confinement on electrochemical reactions in recent literature. These fundamental insights are critical to pave the way toward a knowledge-based design of COFs with specific pore sizes and chemical functionalities to improve reaction pathways and product selectivity in electrocatalytic applications. Covalent bond ; Aqueous solution ; Work (physics) ; Monomer ; Nanoparticle Covalent Organic Framework Applications ; Electrocatalysts for Energy Conversion ; Advanced oxidation water treatment
Authors: Xiaoling Liu | Mingzhen Wang | Ting Li | Jiao Wei | Tian Rong | Qiqi Liu | Yajie Wang | Yu Zhou | Jun Wang
Source: AIChE Journal (article, 2026-01-27)
Field: Chemistry — Inorganic Chemistry

Regulating silica/alumina ratio of <scp>LTL</scp> zeolites for acetylene/ethylene separation Abstract Efficient removal of trace acetylene (C 2 H 2 ) from ethylene (C 2 H 4 ) is crucial for polymer production, yet remains challenging for physisorption separation owing to their molecular similarity. Herein, we synthesized a series of LTL zeolites with varied Si/Al ratios via an acid co‐hydrolysis route. The optimal adsorbent LTL(2.3) with a low Si/Al ratio of 2.3 exhibited both high C 2 H 2 uptake (2.79 mmol g −1 ) and C 2 H 2 /C 2 H 4 (1/99, v / v ) selectivity of 26.84 at 1 bar and 298 K, as well as superior dynamic separation efficiency. Structural refinement based on high‐resolution powder X‐ray diffraction (PXRD) patterns illustrates that reducing Si/Al ratio provides more K + cation that serves as the strong C 2 H 2 binding sites, thereby promoting the C 2 H 2 /C 2 H 4 separation. Moreover, the optimal LTL zeolite also demonstrates favorable separation efficiency towards other gas mixtures (e.g., CO 2 /N 2 , CO 2 /CH 4 , C 2 H 4 /C 2 H 6 , and C 3 H 6 /C 3 H 8 ), showing the promising potential as a versatile adsorbent for gas separation and purification. Physisorption ; Adsorption ; Selectivity ; Acetylene ; Gas separation ; Ethylene ; Zeolite ; Bar (unit) Zeolite Catalysis and Synthesis ; Mesoporous Materials and Catalysis ; Catalysis for Biomass Conversion
Authors: R. R. P. Singh | Udai P. Singh
Source: ChemistrySelect (article, 2026-02-01)
Field: Chemistry — Organic Chemistry

MCM‐41‐Anchored Ni (II) Schiff Base Complex: A Recyclable Catalyst for One‐Pot Multicomponent Synthesis of Tetrahydropyrazolopyridines ABSTRACT Mesoporous MCM‐41 serves as an ideal support due to its large surface area, ordered pore structure, and thermal resilience. Nickel (II) stands out among transition metals for its abundance, low cost, and adaptable coordination chemistry, making it suitable for immobilization via Schiff base ligands to drive various organic transformations. Motivated by these factors, we prepared a novel MCM‐41‐supported Ni (II) Schiff base catalyst, designated as M41@CP@AnL@Ni ( 1 ). The catalyst 1 was characterized by various techniques and tested for the formation of tetrahydropyrazolopyridines. The synthesis of tetrahydropyrazolopyridines was carried out in a single vessel by combining ethyl acetoacetate, hydrazine hydrate, an aromatic aldehyde, and ammonium acetate under mild conditions. The catalyst 1 demonstrated good catalytic performance and selectivity, afforded product yields of up to 97%, especially with electron‐deficient aryl aldehydes under mild thermal conditions (80 °C). The insignificant metal leaching and the absence of any measurable decline in the activity underscore its operational robustness and superior applicability relative to conventional catalytic systems. A feasible reaction mechanism has been proposed. These findings, in conjunction with the catalyst's observed efficiency, provide strong experimental support for the proposed pathway and highlight the critical involvement of the Ni (II) active site throughout the catalytic cycle. Catalysis ; Schiff base ; Nickel ; Transition metal ; Hydrazine (antidepressant) ; Leaching (pedology) ; Mesoporous material ; Ammonium acetate Multicomponent Synthesis of Heterocycles ; Catalytic C–H Functionalization Methods ; Nanomaterials for catalytic reactions
Authors: Reem H. Alzard | Rana A. Morsi | Kinza Fatima | Vijo Poulose | Mohammed H Alzard | Tamilarasan Rajendran | Iltaf Shah | Mohammed A. Meetani | Ahmed Alzamly | Kaibo Zheng | Mohamed Abdellah
Source: ChemRxiv (article, 2026-03-11)
Field: Chemistry — Inorganic Chemistry

Mixed-linker Zn(II) coordination polymer with structurally accessible binding sites for efficient and recyclable trimethoprim removal from wastewater The persistence of pharmaceutical residues in aquatic systems necessitates the development of robust and recyclable adsorbents for efficient removal. In this work, a Zn(II)-based mixed-linker coordination polymer, [Zn(Phen)(5-NIP)]ₙ (Zn-CP), was synthesized via a solvothermal method and evaluated for the adsorption of the antibiotic trimethoprim (TMP) from aqueous media. Structural characterization by single-crystal X-ray diffraction revealed a one-dimensional zigzag chain architecture featuring periodically exposed aromatic and carboxylate moieties that provide accessible adsorption sites. Batch adsorption experiments demonstrated high removal efficiency (up to ~97%) under optimized conditions. Adsorption kinetics followed a pseudo-second-order model, indicating that surface interactions govern the uptake process, while isotherm analysis confirmed favorable adsorption behavior. Thermodynamic parameters suggested a spontaneous and predominantly physisorption-driven interaction. The material exhibited excellent chemical stability and maintained its adsorption performance over ten regeneration cycles, highlighting its reusability. Mechanistic investigations indicate that hydrogen bonding and π-π interactions between TMP and the exposed functional groups of Zn-CP play a key role in adsorption. These results demonstrate that mixed-linker coordination polymers with structurally accessible binding sites represent promising candidates for the removal of pharmaceutical contaminants from water systems. Wastewater ; Polymer ; Binding site ; Coordination polymer Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Molecular Sensors and Ion Detection
Authors: Kyle D. Hallowell | Fatima Naser Aldine | Hope N. Vonder Brink | Ashley K. Mockensturm | Hitesh Handa | Elizabeth J. Brisbois | Alexis D. Ostrowski | Joseph C. Furgal
Source: Preprints.org (preprint, 2026-03-03)
Field: Materials Science — Materials Chemistry

Network Silsesquioxane-Based Organogel/Silicone Composites for the Long-Lasting Delivery of Nitric Oxide Nitric oxide (NO) is a gaseous biocompatible radical molecule with demonstrated biomedical and antimicrobial benefits. Developing adaptable, long-lasting delivery systems for NO has become an essential goal for both combating resistant bacterial growth and providing sustained medical benefits. Silsesquioxane (SQ)-based organo-gels were chosen and synthesized as robust, tunable NO-release platforms. These highly stable SQ gel frameworks, composed of silicon–oxygen backbones with variable R-groups, exhibited high porosity and surface area, and offered chemical versatility, enabling control over NO loading and release. 3-Mercaptopropyl groups were utilized as sulfur-based NO-releasing substituents (-RSNOs), with additional R-groups capable of altering accessibility to RSNO sites through hydrophobicity and steric hindrance. The NO release profile, rate, and duration from the functionalized gels were also tailored by adjusting the number of RSNO sites in the elastomeric system, thereby enabling a customizable release profile. This combination of NO-releasing silsesquioxanes with silicone elastomers yields composite materials that are integratable into biomedical applications, offering NO release up to 40 days within modeled physiological conditions in PBS buffer. Biocompatible material ; Elastomer ; Silicone ; Propylene oxide ; Porosity ; Composite number ; Oxide ; Steric effects Silicone and Siloxane Chemistry ; Mesoporous Materials and Catalysis ; Aerogels and thermal insulation
Authors: Edi Topić | Josipa Sarjanović | Dino Kuzman | Andrea Cocut | Tomica Hrenar | Jana Pisk | Višnja Vrdoljak
Source: Dalton Transactions (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Nicotinoyl hydrazone-directed vanadium assemblies: metallosupramolecular isomerism, polymorphism, and catalytic oxidation performance A systematic investigation of coordination-driven vanadium assemblies reveals a rich structural landscape in which tetrameric metallacycles [VO(VanNH)(OR)]<sub>4</sub> and 1D polymeric species [VO(VanNH)(OR)]<sub><i>n</i></sub> form selectively, depending on reaction conditions and the nature of auxiliary alkoxide ligands (VanNH = <i>o</i>-vanillin nicotinoylhydrazone; R = C<sub><i>n</i></sub>H<sub>2<i>n</i>+1</sub>, <i>n</i> = 1-5). Additionally, several polymorphs and structural isomers are identified, along with a rare reversible, temperature-dependent phase transformation. The assemblies can be classified into three distinct structural types based on the intramolecular orientation of the pyridyl moieties: (i) type I featuring alternating '<i>syn</i>'/'<i>anti</i>' arrangements, (ii) type II with a uniform '<i>anti</i>' motif, and (iii) type III composed exclusively of '<i>syn</i>' units. Quantum-chemical calculations reveal that polymers adopting the alternating '<i>syn</i>'/'<i>anti</i>' motif are thermodynamically most stable, primarily due to more exothermic enthalpies of formation. In contrast, polymeric structures dominated by '<i>anti</i>' arrangements become favored for longer alkoxo ligands, whereas the tetranuclear metallocycles exhibit only modest stabilization across the alkoxide series. The pronounced structural diversity arises from a subtle interplay among electronic, steric, and crystal-packing effects that governs phase selection and crystallization behavior. In the catalytic oxidation of Cl- and NO<sub>2</sub>-substituted benzyl alcohols using <i>tert</i>-butyl hydroperoxide (TBHP), the tetranuclear complexes initially exhibit high selectivity toward aldehyde formation, while the polymeric species achieve superior overall conversion. The results highlight a fundamental trade-off between catalytic activity and selectivity, strongly modulated by catalyst nuclearity and alkoxo ligand length. The insights gained provide valuable design principles for developing vanadium-based assemblies with tunable properties. Alkoxide ; Catalysis ; Vanadium ; Intramolecular force ; Crystallization ; Catalytic oxidation ; Selectivity ; Ligand (biochemistry) Vanadium and Halogenation Chemistry ; Magnetism in coordination complexes ; Oxidative Organic Chemistry Reactions
Authors: Andrés Rodríguez‐Camargo | Alfred Vargas | Martina Paetsch | Judith Zander | Ashton M. Aleman | Arne Beckmann | Colin F. Crago | Risov Das | Samuel Van Gele | Kenichi Endo | Daniel Gräf | Christian Ochsenfeld | Kristina Tschulik | Thomas F. Jaramillo | Bettina V Lotsch
Source: ChemRxiv (article, 2026-02-25)
Field: Materials Science — Materials Chemistry

Exploring Cobalt Accessibility Limits in a Two-dimensional Porphyrin-based Covalent Organic Framework for the Oxygen Evolution Reaction There is a growing need for new technologies in the energy and chemicals sectors to improve global sustainability. Meeting this need requires the development of efficient and robust catalysts and a detailed understanding of the nature, accessibility and stability of their active sites under operando conditions. Covalent organic frameworks (COFs) are crystalline, porous materials that offer high surface areas and molecular-level design, making them attractive platforms for heterogeneous catalysis. However, while COFs are highly porous systems, the accessibility of active sites in layered COFs remains insufficiently explored. Here, we investigate the activity, stability, and accessibility of metal active sites in the prototypical two-dimensional cobalt porphyrin-based COF (COF-366-Co) for the electrocatalytic oxygen evolution reaction (OER). COF-366-Co exhibits an overpotential of 492 ± 13 mV at 10 mA cm-2 and demonstrates notable cobalt coordination stability in alkaline electrolyte (0.1 M KOH). By selectively blocking surface-accessible cobalt sites using ethylenediaminetetraacetic acid tetrasodium salt (EDTA), corroborated by quantum chemical calculations, we reveal that cobalt centers in the bulk of the COF - despite its large surface area - are largely inaccessible for OER catalysis. Altogether, this work highlights active-site accessibility as a critical design parameter for 2D COF-based catalysts and aims to motivate the development of new strategies to achieve optimal utilization of catalytic sites. Oxygen evolution ; Cobalt ; Overpotential ; Catalysis ; Covalent bond ; Ethylenediaminetetraacetic acid ; Electrocatalyst Covalent Organic Framework Applications ; Electrocatalysts for Energy Conversion ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Ivan Ristić | Marija Krstic | S. CAKIĆ | Ljubiša Nikolić | Vesna Teofilović | Tamara Erceg | Vladan Mićić
Source: Polymers (article, 2026-02-08)
Field: Materials Science — Biomaterials

Synthesis and Structure–Property Relationships of PLLA-Based ABA Triblock Copolymers with Bio-Based Soft Segments The development of biodegradable ABA-type triblock copolymers with tailored thermo-mechanical performance requires precise control over polymer architecture and phase behavior. In this study, PLLA-based ABA triblock copolymers were synthesized using two structurally distinct, fully bio-based soft segments: poly(methyl ricinoleate) (PMR) and poly(1,3-propanediol) (PPD). To the best of our knowledge, this is the first report on PLLA triblock copolymers incorporating PMR as a renewable soft middle block. Hydroxyl-terminated PMR and PPD were employed as macroinitiators for the controlled ring-opening polymerization of L-lactide, enabling systematic variation in block composition and molecular weight. Structural characterization confirmed successful block formation, while thermal and mechanical analyses revealed pronounced differences in phase separation and structure-property relationships. Copolymers containing PMR exhibited enhanced phase separation, increased crystallinity of PLLA domains, and significantly improved elongation at break, attributed to the presence of pendant chains in the soft segment. In contrast, PPD-based copolymers showed reduced phase separation and more PLA-like mechanical behavior. These results demonstrate that the chemical architecture of bio-based soft segments plays a decisive role in governing the thermo-mechanical performance of PLLA-based triblock copolymers. Copolymer ; Elongation ; Crystallinity ; Polymer ; Polymerization ; Phase (matter) biodegradable polymer synthesis and properties ; Bone Tissue Engineering Materials ; Block Copolymer Self-Assembly
Authors: Barakha Saxena | Roshan I. Patel | Anuj K. Sharma
Source: ChemRxiv (article, 2026-02-10)
Field: Chemistry — Organic Chemistry

A General Mechanochemical Copper Catalyzed Three-Component Sulfonamidation Reaction Sulfonamides are privileged organic synthesis scaffolds, particularly in pharmaceuticals and bioactive domains. Conventional synthetic strategies often rely on expensive metal cross-coupling protocols, availability of preexisting sulfur functionality, amine nucleophilicity, elevated reaction temperatures, and inherently unstable and expensive SO2 surrogates. Herein, we unveil a concise, mechanochemical driven, copper-catalyzed three-component protocol that involves aryl radical precursors and K2S2O5 with amine carbonates, to furnish a diverse array of sulfonamide products, including biologically active and late-stage functionalized molecules, in good to excellent yields. Central to this approach was the deployment of mechanochemical force to drive the chemical transformation under solvent-free conditions, reducing waste and enabling unique reactivity. Mechanistic insights, including radical trapping experiments, support the involvement of a copper-mediated aryl, sulfonyl and N-centered radical intermediate, leading to the product formation. This mechanochemical-copper dual activation paradigm offers a strategically distinct entry to sulfonamide architectures and confers notable advantages over existing methodologies, including (i) use of cheap catalyst; (ii) bench-stable and cheap SO2 surrogate; (iii) ambient aerobic conditions; (iv) short reaction time; (v) operationally simple; (vi) broad substrate scope; and (vii) scale-up synthesis. By bridging mechanochemistry and copper catalysis, this strategy collectively establishes a sustainable and versatile platform for synthesizing sulfonamides with potential applications in medicinal chemistry and beyond. Mechanochemistry ; Sulfonamide ; Amine gas treating ; Sulfonyl ; Aryl ; Substrate (aquarium) ; Catalysis ; Radical Sulfur-Based Synthesis Techniques ; Catalytic C–H Functionalization Methods ; Catalytic Cross-Coupling Reactions