jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Vadim A. Dubskikh | A. A. Lysova | Denis G. Samsonenko | Konstantin A. Kovalenko | Danil N. Dybtsev | Vladimir Fedin
Source: Nanomaterials (article, 2025-12-24)
Field: Chemistry — Inorganic Chemistry

Three-Dimensional Chiral Metal–Organic Frameworks: Synthesis and Structural Transformations Four new porous homochiral metal-organic frameworks (MOFs), [M<sub>2</sub>(camph)<sub>2</sub>(bpa)]∙Solv (M = Co(II), Ni(II), Cu(II) and Zn(II)), based on (+)-camphoric acid (H<sub>2</sub>camph) and 1,2-bis(4-pyridyl)ethane (bpa) were synthesized and characterized. The crystal structures of [Ni<sub>2</sub>(camph)<sub>2</sub>(bpa)] and [Zn<sub>2</sub>(camph)<sub>2</sub>(bpa)] were established by single-crystal X-ray diffraction analysis. Powder X-ray data prove the phase purity and isostructural nature of all four compounds. The thermal stability of [M<sub>2</sub>(camph)<sub>2</sub>(bpa)] was found to depend on the electronic configuration, as well as on the redox properties of the metal cation, and varied from 225 °C (M = Zn<sup>2+</sup>) to 375 °C (M = Ni<sup>2+</sup>). The reversible, solvent-induced sponge-like dynamics of the coordination frameworks was thoroughly investigated. Changes in the positions of reflexes, related to the length of the flexible bpa linker, were observed by powder XRD, pointing to transitions between an open-framework phase and a squeezed, non-porous phase in a crystal-to-crystal manner, while the integrity and connectivity of the coordination network were maintained. Size-selective adsorption from a benzene-cyclohexane 1:1 mixture on [Zn<sub>2</sub>(camph)<sub>2</sub>(bpa)] was studied by <sup>1</sup>H NMR analysis. The benzene-favorable composition of guest molecules (C<sub>6</sub>H<sub>6</sub>:C<sub>6</sub>H<sub>12</sub> = 5:1) occluded within the host crystalline sponge revealed a preferable adsorption affinity towards smaller benzene compared with larger cyclohexane. High framework stability in various solvents, as well as successful molecular separation in the liquid state, validates the potential utilization of chiral porous metal(II) camphorate MOFs in important stereoselective applications. Isostructural ; Adsorption ; Molecule ; Benzene ; Phase (matter) ; Thermal stability ; Porosity ; Metal-organic framework ; Powder diffraction Metal-Organic Frameworks: Synthesis and Applications ; X-ray Diffraction in Crystallography ; Magnetism in coordination complexes
Authors: Pintu Debnath | Ahmed Sharif | Shad Inquiad Mim | Md. Sahadat Hossain
Source: RSC Advances (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Facile synthesis of a novel Co–Ba–TPA MOF exhibiting nearly identical overpotential for electrochemical production of hydrogen and oxygen In this study, the successful synthesis and comprehensive characterization of a novel cobalt-barium-terephthalic acid metal-organic framework (Co-Ba-TPA MOF) as a high-performance bifunctional electrocatalyst is reported. The prepared MOF exhibits synergistic interactions between Co and Ba metal centers within the terephthalic acid framework to exhibit an optimized electronic environment for enhanced electrocatalytic performance. Structural characterization through XRD, SEM and FTIR confirmed successful framework formation, while electrochemical evaluation revealed exceptional bifunctional activity with almost identical overpotential across both water splitting half-reactions. The MOF demonstrates an overpotential of 414.5 mV and 412.6 mV at 10 mA cm<sup>-2</sup> for HER and OER maintaining a Tafel slope of 145.23 mV dec<sup>-1</sup> and 106.18 mV dec<sup>-1</sup>, respectively. The OER performance is preserved up to higher current densities (<i>e.g.</i> 100 mA cm<sup>-2</sup>), which makes it possibly applicable for industrial applications. The almost identical overpotentials for both reactions represent a commendable achievement in bifunctional catalyst design by eliminating the typical trade-off between HER and OER activities shown by most single-metal catalysts and offering an alternative to expensive platinum-group metals while maintaining competitive electrocatalytic performance. Overpotential ; Tafel equation ; Bifunctional ; Oxygen evolution ; Electrocatalyst ; Catalysis ; Electrochemistry ; Hydrogen production Metal-Organic Frameworks: Synthesis and Applications ; Electrocatalysts for Energy Conversion ; Supercapacitor Materials and Fabrication
Authors: Savita Kumari | P. K. Gupta | Amit Kumar | Ramesh Kumar
Source: Eurasian Journal of Chemistry (article, 2025-12-12)
Field: Chemistry — Organic Chemistry

Oxidative Transformation of Ethylbenzene Utilizing Metal Bound Immobilized Catalysts In the present contribution, we have investigated the catalytic potential of immobilized metal catalysts for the oxidation of ethylbenzene. Chloromethylated polystyrene was initially converted to aldehydopolystyrene followed by its functionalization with 2-aminothiophenol to get functionalized resin. This resin was successfully binded with appropriate metal (Mn(II), Fe(III), Ni(II), Cu(II), VO(II)) salts to prepare different heterogeneous catalysts which were characterized using CHNS, energy dispersive X-ray spectroscopy (EDX), diffuse reflectance spectra (DRS), fourier transform infrared spectra (FTIR), atomic absorption spectrophotometry (AAS) and electron paramagnetic resonance (EPR) spectra techniques. Metal binding in mmol per gram of resin for different catalysts was found in the range 0.96–1.24. The catalytic potential of these supported catalysts was assessed for the oxidation of ethylbenzene, utilizing hydrogen peroxide (H2O2) and tert-butyl hydroperoxide (TBHP) as the oxidants. The effects of various reaction parameters, such as temperature, reaction duration, type of oxidant, and the amount of catalyst used were examined for the oxidation reaction. Under optimized milder conditions, the results showed that H2O2 as oxidants resulted in 53.8 % conversion rates with the copper catalyst. The nickel catalyst, when used with H2O2, showed the highest selectivity for acetophenone, reaching 83 %. The recovered catalysts retained its original structure, as established by a comparative analysis of DRS and FT-IR spectra of both the original and reused catalysts. Moreover, the catalysts can be employed repeatedly up to five times under optimum conditions without any noticeable reduction in activity. Catalysis ; Ethylbenzene ; Hydrogen peroxide ; Polystyrene ; Selectivity ; Metal ; Fourier transform infrared spectroscopy ; Infrared spectroscopy ; Copper Oxidative Organic Chemistry Reactions ; Catalytic C–H Functionalization Methods ; Mesoporous Materials and Catalysis
Authors: Yulin Deng | Zigang Lu | Samuel Kin‐Man Lai | Man Pang Tang | Xiaoyong Mo | Shan He | David Lee Phillips | Edmund C. M. Tse | Ho Yu Au‐Yeung
Source: ChemRxiv (preprint, 2025-07-02)
Field: Materials Science — Materials Chemistry

Structural Dependence of Catenand Effect: Thermodynamic and Kinetic Modulation of Catenane Coordination Properties via Ring-size and Exocyclic Substituent Variation Although effects from ligand interlocking on coordination geometry and ligand exchange rate have been identified almost 40 years ago, relationship between structural features that characterize the ligand interlocking and the resulting coordination features remains unexplored, and hence exploitation of metal complexes supported by mechanically interlocked ligands is greatly hampered. In this work, structures, thermodynamics, kinetics and chemical reactivities of a series of Cu(I) catenane complexes of varying size of the interlocked macrocycles and exocyclic substituents are systematically compared and analyzed. In addition to the distortion of the coordination geometry and enhancement of interactions in the secondary sphere, reducing the size of the interlocked rings and increasing the steric hindrance of the exocyclic substituents are both found to suppress the opening of the Cu(I) coordination sphere, thus leading to a slower ligand exchange rate in both associative and dissociative exchange, which in turn affects chemical reactivity of the metal in which a substantial opening of the primary sphere is required. These detail understandings of the relationship between structures of the catenane ligand and the coordination properties and chemical reactivity thus form the basis of rational design of new metal complexes featuring the unique properties from mechanical bond for diverse applications. Substituent ; Catenane ; Kinetic energy ; Ring (chemistry) ; Ring size ; Chemistry ; Variation (astronomy) ; Modulation (music) ; Computational chemistry ; Stereochemistry ; Crystallography ; Physics ; Classical mechanics ; Molecule ; Organic chemistry Thermal and Kinetic Analysis ; Free Radicals and Antioxidants ; Metal complexes synthesis and properties
Authors: Hemantkumar Ashok Deo | Shital Sanjay Kanaskar | M. S. Zambare | N. M. Kulkarni
Source: International Journal on Science and Technology (article, 2025-10-07)
Field: Materials Science — Materials Chemistry

MgO Nanoparticles: Synthesis, Characterizations and Applications: A Short Review This current review provides a comprehensive overview of magnesium oxide (MgO) nanoparticles, focusing on their synthesis, characterization, and diverse applications. MgO nanoparticles have attracted considerable research interest owing to their remarkable physicochemical properties, such as high surface area, excellent thermal stability, strong ionic bonding, and chemical inertness. Various synthesis methods including sol–gel, co-precipitation, hydrothermal, and combustion techniques are discussed, emphasizing how processing parameters affect the size, morphology, and crystallinity of the resulting nanoparticles. Characterization techniques such as X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and UV–Visible spectroscopy are reviewed to understand the structural, morphological, and optical behavior of MgO nanoparticles. The review further highlights their wide range of applications in catalysis, gas sensing, environmental remediation, antibacterial treatments, and biomedical systems, driven by their non-toxic, biocompatible, and highly reactive nature. The study concludes by emphasizing the relationship between synthesis routes, material characteristics, and performance, suggesting pathways for the future design of MgO nanostructures with enhanced functionality for technological and environmental advancements. Crystallinity ; Characterization (materials science) ; Transmission electron microscopy ; Magnesium ; Scanning electron microscope ; Nanostructure ; Nanoparticle ; Spectroscopy Magnesium Oxide Properties and Applications
Authors: Kulika Pithaksinsakul | Peeranat Chaipornchalerm | Sareeya Bureekaew | Chularat Wattanakit
Source: Small Structures (article, 2025-11-20)
Field: Materials Science — Electronic, Optical and Magnetic Materials

1D and 3D Carbon Nanomaterials Derived from Zeolite‐Based Catalysts: Synthesis and Applications Carbon nanomaterials (CNMs) have been extensively developed due to their exceptional electrical, mechanical, and chemical properties. The variety of their dimensions, ranging from one‐dimensional carbon nanotubes (CNTs) to three‐dimensional porous carbons, plays a critical role in providing different functionalities, which are suitable in diverse applications such as supercapacitors, energy storage, and catalysis. Despite their potential applications, precise control over CNM synthesis remains challenging, especially in achieving high purity and uniform structures. One of the promising approaches involves the use of zeolites as catalytic supports, which are defined as uniform microporous frameworks with high thermal stability and tunable acidity. This review highlights the synthesis and application of two main types of CNMs obtained using zeolite‐based catalysts including CNTs and zeolite‐templated carbons (ZTCs). This contribution also delivers a comprehensive overview of their growth mechanisms, synthesis strategies, and recent advancements in CNMs/zeolite composite applications. Finally, we discuss the current limitations and future directions for the rational design of zeolite‐supported catalysts aimed at achieving controlled CNMs synthesis for various applications. Microporous material ; Nanomaterials ; Carbon nanotube ; Catalysis ; Thermal stability ; Carbon fibers ; Rational design Supercapacitor Materials and Fabrication ; Mesoporous Materials and Catalysis ; Catalysis for Biomass Conversion
Authors: Thomas R. Sheridan | Rohan Wedam | Esther P.Y. Tang | Joseph T. Hupp
Source: ChemRxiv (preprint, 2025-02-18)
Field: Materials Science — Materials Chemistry

MOF-based Catalysis of Hydrolytic Destruction of Nerve Agent Simulants: The Complex Role of Lewis-acid Strength In practical applications of metal-organic frameworks (MOFs) as catalysts for hydrolytic destruction of chemical warfare agents (CWA), such as those entailing integration of the MOF with fabric for protective equipment, co-incorporation of a basic buffer is essential for sustained catalytic turnover – in part, because the salient nucleophile is the hydroxide ion. These buffers will have different pH values, and it has become clear that pH differences can translate to dramatic effects on MOF-catalyzed rates. Predicting the relative magnitude and even the direction of rate variations, however, is hindered by an incomplete understanding of the rate laws involved in CWA (or agent simulant) hydrolysis and their relationship to the nature of the catalyst active-site. Here, we have experimentally examined, with a simulant, a series of Lewis acidic UiO-66-series MOFs (UiO-66-NO2, UiO-66(-H), and UiO-66-NH2) with varying active-site Lewis acidities as determined by their functional groups, and correlate their catalytic performance at different pH values with their measured relative Lewis acidity and with catalyst characteristics governed by Lewis acidity. This comparison is extended to Lewis basic MOFs Zn- and Cu-MFU-4L, with the conclusion that the Lewis acidity of the active site plays a complex, but decisive role in determining the pH that maximizes the rate of hydrolysis. Furthermore, an explanation for this behavior based on the rate-determining steps for hydrolysis is presented, with the rates for hydrolytic attack and for node aqua ligand displacement by an agent simulant being the source of the correlation between optimal pH values and active-site Lewis acidity. Notably, the observation of a peaked maximum in plots of hydrolysis rate versus pH points to a pH-correlated change in rate-determining step. Finally, these results suggest that the selection of certain MOFs as the “best” for nerve agent hydrolysis is largely based on an arbitrary selection of buffer and pH value. Lewis acids and bases ; Hydrolysis ; Nerve agent ; Chemistry ; Catalysis ; Chemical engineering ; Combinatorial chemistry ; Biophysics ; Organic chemistry ; Enzyme ; Biology ; Engineering Thermal and Kinetic Analysis ; Chemical Synthesis and Reactions ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Tatsiana G. Shutava | Alina S. Tsimanenkava | D. S. Martsinkevich | Kanstantsin S. Livanovich | Vladimir Pankov
Source: The Open Chemical Engineering Journal (article, 2025-02-24)
Field: Chemistry — Organic Chemistry

Water Vapor Uptake and Microwave Heating of Magnetite / Aluminum Fumarate Composites Aim This study aims to obtain new desiccant materials based on magnetic nanoparticles and metal-organic framework (MOF) that are regenerable by microwave heating. Background Among the nanoparticles/MOF composites, the magnetic ones are especially interesting as sorbents with stimuli-triggered release of adsorbate and separation/concentration in an external magnetic field. Methods The composites were obtained by adding pre-synthesized magnetite nanoparticles to the solution of fumaric acid used to synthesize the porous aluminum fumarate (Al-fum) matrix. The mass fraction of Fe 3 O 4 in the composites was evaluated by an o-phenanthroline-based assay, and their structure was characterized by XRD and FTIR. The magnetic properties and humidity-dependent water vapor uptake were measured. Results The broad X-ray diffraction signals of magnetite, decreased Curie temperature, and increased water uptake by the composites with a low magnetite content reflect the escalation of microdefects at the interphase boundary. Higher temperatures and pressures were reached in a shorter period of time upon the microwave heating of water-enriched powders and aqueous dispersions of Fe 3 O 4 /Al-fum composites as compared with pure water. Conclusion The absorption of microwave radiation by Al-fum saturated with water is improved to a degree that allows one to overcome the decrease in dielectric losses and tangent of pure water with increasing temperature. The presence of magnetite in the amount of 0.04 g g -1 or more accelerates the heating of aqueous dispersions of the composites to the same extent as pure magnetite nanoparticles. Magnetite ; Materials science ; Composite material ; Microwave ; Aluminium ; Microwave heating ; Water vapor ; Composite number ; Chemistry ; Metallurgy Microwave-Assisted Synthesis and Applications ; Advanced ceramic materials synthesis ; Microwave Dielectric Ceramics Synthesis
Authors: Meredith N. Pomfret | Lucy P. Miller | Nicholas Serck | Ángel Rentería‐Gómez | Bob Li | Sarah M. Zeitler | Sebastian M. Krajewski | Werner Kaminsky | Osvaldo Gutiérrez | Matthew R. Golder
Source: ChemRxiv (preprint, 2025-06-24)
Field: Chemistry — Organic Chemistry

Macrocyclic Ruthenium Ring Expansion Metathesis Polymerization Initiators Exhibit Tether Length-Dependent Behavior Polymers with cyclic architecture are invaluable constructs for a variety of materials science and engineering applications. Due to their macrocyclic nature, these plastics are imbued with enhanced mechanical durability; a single scission event along the backbone keeps the polymer intact and the molar mass unchanged. Hence, polymer topology can be envisioned as a strategy to prolong the useful lifetime of a material before failure. With a growing interest in synthesizing such cyclic polymers using ring-expansion metathesis polymerization (REMP), there remains an unmet need to further understand structure-activity relationships of the requisite organometallic initiators. While analogous Ru-based initiators for ring-opening metathesis polymerization (ROMP) have been widely studied, this same focus has not been applied to REMP. Herein, we report the synthesis and activity of CBX cyclic Ru-benzylidene initiators (X = number of carbon atoms in the tether, 4 – 6). Through mechanistic studies, we note a marked difference in REMP molar mass control that is reinforced via analyses using solid-state X-ray crystallography and DFT calculations. Overall, these studies provide insight into the relationship between CBX tether length and its propensity for productive secondary metathesis, a key mechanistic facet for modulating cyclic polymer molar mass. Ruthenium ; Metathesis ; Polymerization ; Ring-opening metathesis polymerisation ; Polymer chemistry ; Ring (chemistry) ; Ring-opening polymerization ; Chemistry ; Materials science ; Polymer science ; Catalysis ; Organic chemistry ; Polymer Synthetic Organic Chemistry Methods ; Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties
Authors: Tamer S. Saleh | Abdullah S. Al‐Bogami
Source: Molbank (article, 2025-11-04)
Field: Chemistry — Organic Chemistry

Straightforward Synthesis of Thiophene Bioisosteres of the Pyrrolo[3,2-c]quinoline Framework from Martinelline Alkaloids We report the first green and diastereoselective synthesis of novel thiophene bioisosteres designed to mimic the privileged pyrrolo[3,2-c]quinoline core of martinelline alkaloids. The key step features an intramolecular 1,3-dipolar cycloaddition of in situ generated non-stabilized azomethine ylides from sarcosine, which proceeds with excellent yield and diastereoselectivity. This sustainable protocol, leveraging ultrasonic irradiation, recyclable hydrotalcite catalysts, and the green solvent cyclopentyl methyl ether (CPME), efficiently constructs the complex tricyclic framework. The structure and stereochemistry of the novel bioisostere were unambiguously confirmed by X-ray crystallography. This method offers a valuable, eco-friendly approach for diversifying natural product-inspired libraries in medicinal chemistry. Bioisostere ; Cycloaddition ; Thiophene ; Intramolecular force ; Yield (engineering) ; Ether ; Ring (chemistry) Synthesis and Characterization of Pyrroles ; Synthesis and Reactivity of Heterocycles ; Multicomponent Synthesis of Heterocycles
Authors: Mhamed Berrada | Taha El Assimi | Catherine Ladavière | Thomas Trimaille | Stéphane Trombotto | Emmanuel Beyou | Mohammed Lahcini | Rédouane Beniazza
Source: Macromolecular Materials and Engineering (article, 2025-08-07)
Field: Chemistry — Organic Chemistry

Recent Advances in Amphiphilic Photoresponsive Polymers: Toward Their Potential Use in Controlled Release Fertilizer ABSTRACT Photoresponsive polymers have emerged as a dynamic class of materials exhibiting a response to light. On the other hand, amphiphilic polymers are materials possessing both hydrophobic and hydrophilic sides in their macromolecular structure. The particularity of amphiphilic polymers is that they can simultaneously interact with hydrophobic and hydrophilic environments, leading to self‐assembly. The combination of these intriguing photosensitive and amphiphilic properties has spurred the development of amphiphilic photoresponsive polymers with adaptable features. Exposure to light triggers changes in the polymers’ properties, which can be exploited to influence the formation and stability of diverse nanoscale structures such as core–shell micelles, worm‐like micellar assemblies, vesicles, and other complex macromolecular architectures. This precise control over polymer behavior has propelled these materials to the forefront of research and innovation. This review sheds light and classifies the main photosensitive chemical groups used to design such photoresponsive polymers. Furthermore, a concise overview and a discussion about the synthesis pathways of photoresponsive polymers, with or without amphiphilic behavior, are presented, followed by a projection of potential opportunities raised by these polymers to improve controlled agrochemicals release area. Amphiphile ; Polymer ; Materials science ; Macromolecule ; Micelle ; Nanotechnology ; Copolymer ; Organic chemistry ; Chemistry ; Aqueous solution Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Photochromic and Fluorescence Chemistry
Authors: Na’il Saleh | Shaikha S. AlNeyadi
Source: Preprints.org (preprint, 2025-06-16)
Field: Chemistry — Inorganic Chemistry

Glycoluril-Based Metal-Organic Frameworks The glycoluril building blocks have only been connected via their NH sides in all the previously reported structures in porous material science, supramolecular chemistry, and many other fields. Here, we present the design and synthesis of a new glycoluril-based metal-organic framework (MOF) through the substitution of dibenzoic moieties in the methine positions of the glycoluril motif. Urea reacts with 4,4'-dioxo-[1,1'-biphenyl]-3,3'-dicarboxylic acid (the 1,2-diketone derivative) to form 4,4'-(2,5-dioxotetrahydroimidazo[4,5-d]imidazole-3a,6a(1H,4H)-diyl)dibenzoic acid (the glycoluril derivative). The reaction proceeds via cyclocondensation, yielding a rigid linker with four free NH groups, two terminal carboxylic acids, and a curved backbone suitable for MOF coordination and molecular recognition. The synthesis of NS-MOF (Zn or Zr) was successfully achieved using a solvothermal method involving the reaction of a glycoluril-based linker with zinc nitrate hexahydrate in dimethylformamide (DMF). The properties of the new MOF structures are discussed for potential applications from gas storage and separation to catalysis and biomedical delivery systems. Metal-organic framework ; Business ; Chemistry ; Organic chemistry Metal-Organic Frameworks: Synthesis and Applications