jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Anis Diyana Rosli | Nor Shahanim Mohamad Hadis | Zurita Zulkifli | Afaf Rozan Radzol | Rosfariza Radzali | Aida Zulia Zulhanip
Source: International Journal of Nanoelectronics and Materials (IJNeaM) (article, 2026-01-28)
Field: Materials Science — Electronic, Optical and Magnetic Materials

The turkevich method revisited: A comprehensive guide to molar ratio control in the synthesis of 15 nm gold nanoparticles for beginners This study provides a comprehensive guide for novice researchers to synthesize gold nanoparticles (AuNPs) with a target size of 15 nm using the Turkevich method. By employing a systematic approach, we successfully produced well-defined AuNPs with a moderate size distribution and spherical morphology. A step-by-step procedure flowchart of the synthesis procedure, along with equations for molar ratio calculations, is provided to assist novice researchers. A fixed molar ratio of 2.8 for the reducing agent to precursor was chosen, as previous studies indicate this ratio reliably yields nanoparticles of approximately 15 nm. Characterization techniques, including Ultra-High Resolution Scanning Electron Microscope (UHR-SEM), UV-visible spectroscopy, zeta potential measurements, and zeta sizer, were employed to confirm the desired properties. Additionally, Energy-Dispersive X-ray Spectroscopy (EDX) was utilized to verify the elemental composition of the nanoparticles, confirming the presence of pure gold and the absence of impurities. SEM analysis revealed an average particle size of 15 nm, aligning with the target size. Zeta potential measurements revealed an average value of -38.56 mV. Additionally, an average polydispersity index (PDI) of 0.367, obtained from triplicate measurements, further supports the monodisperse nature of the synthesized AuNPs. The synthesized AuNPs have potential applications in various fields, especially those requiring precisely sized particles, such as biomedicine and catalysis. Future research may focus on optimizing the synthesis process to enhance reproducibility and explore additional applications, including the production of AuNPs with different sizes by adjusting the molar ratio of reducing agent to precursors. Dispersity ; Zeta potential ; Molar ratio ; Colloidal gold ; Nanoparticle ; Particle size ; Scanning electron microscope Gold and Silver Nanoparticles Synthesis and Applications ; Nanoparticles: synthesis and applications ; Laser-Ablation Synthesis of Nanoparticles
Authors: Antoine Adjaoud | Anaë Girault-Fodil | Farida Baraka | Pierre Verge
Source: ChemSusChem (article, 2026-03-01)
Field: Materials Science — Polymers and Plastics

Dynamic Covalent Polymeric Foams: En Route to a Sustainable Lightness The broad versatility of polymer foams has driven their industrial development in commodity usages and cutting-edge technologies seeking lightweight and multifunctionality. The downside of this booming production lies in the limited end-of-life options of their waste that poses significant environmental challenges and urges the development of circular alternatives. Building on recent advances in dynamic covalent polymer networks (DCPNs), one promising route lies in the activation or the incorporation of dynamic covalent bonds (DCBs) into polymer foams. Thermally induced topological rearrangements are thus enabled by dynamic exchange reactions, unlocking new functionalities. This concept gave rise to dynamic covalent polymer foams (DCPFs), a class of materials that provide recyclability without compromising the mechanical strength and the dimensional stability traditionally required for cellular materials. In line with the United Nations Sustainable Development Goals (UN SDGs), the emergence of these dynamic networks redefines the value chain of polymeric foams. Strategies for designing DCPFs are truly numerous, all drawing inspiration from the literature on dynamic exchange chemistry. However, a clear review of the strategies, processes, materials, and new functions is still missing. This review tends to fill this gap. Covalent bond ; Dynamic covalent chemistry ; Polymer ; Sustainable development ; Work (physics) ; Sustainability Polymer composites and self-healing ; Covalent Organic Framework Applications ; Hydrogels: synthesis, properties, applications
Authors: Tommaso Benettin | Francesca Franco | Fabrizio Medici | Sergio Rossi | Alessandra Puglisi
Source: Molecules (article, 2026-01-26)
Field: Chemistry — Organic Chemistry

α,β-Unsaturated (Bis)Enones as Valuable Precursors in Innovative Methodologies for the Preparation of Cyclic Molecules by Intramolecular Single-Electron Transfer The synthesis of monocyclic and bicyclic compounds plays a fundamental role in organic chemistry, and the need for novel synthetic methodologies is still under investigation. In particular, α,β-unsaturated (bis)enones have emerged as valuable precursors for the formation of cyclic (both mono and bicyclic) structures through single-electron transfer (SET) processes. Single-electron transfer (SET) is a redox process where one electron moves from a donor species to an acceptor, generating radical ions or neutral radicals that drive unique reaction pathways. Thanks to the advent of radical chemistry, it was possible to discover an entirely new reactivity of α,β-unsaturated (bis)enones, which, after a SET event, undergo the formation of cyclic molecules, both in intra and inter-molecular reactions, under several possible pathways, including formal [2+2] cycloaddition reaction (22CA) and 5-exo-trig cyclization, for ring closure. Today, the generation of radical species can be broadly classified into three main approaches: <i>photochemical</i> and <i>photocatalytic</i>, <i>metal-driven</i> and <i>electrochemical</i> processes. In this review, we summarize the progress achieved to date in the synthesis of cyclic molecules from α,β-unsaturated (bis)enones via single-electron transfer events under these three main classes of processes. Whenever possible, the reaction pathway and fate of the radical species generated through SET is discussed. Cycloaddition ; Intramolecular force ; Radical ; Molecule ; Bicyclic molecule ; Electron transfer ; Reactivity (psychology) ; Redox ; Ring (chemistry) Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods ; Oxidative Organic Chemistry Reactions
Authors: Diana Becerra | Diana Hurtado-Rodríguez | Juan-Carlos Castillo
Source: Molbank (article, 2026-01-04)
Field: Chemistry — Organic Chemistry

4-(4-Chlorophenyl)-6-phenyl-2-(prop-2-yn-1-yloxy)nicotinonitrile We report an efficient and transition-metal-free protocol for the propargylation of 4-(4-chlorophenyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile using propargyl bromide in the presence of cesium carbonate in dimethylsulfoxide under mild conditions. This synthetic transformation proceeds with marked chemoselectivity, furnishing the O-propargylated pyridine and the N-propargylated 2-pyridone in 75% and 8% yields, respectively. Both products were fully characterized by IR and NMR spectroscopy, as well as high-resolution mass spectrometry, confirming their molecular structures. Pyridine ; Bromide ; Propargyl ; Carbonate ; Proton NMR ; Carbon-13 NMR ; Caesium Catalytic Alkyne Reactions ; Catalytic Cross-Coupling Reactions ; Synthesis and Characterization of Pyrroles
Authors: Huy L Nguyen | Thi Tuyet Mai Nguyen
Source: Preprints.org (preprint, 2026-02-26)
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. These combined strategies enable the development of multifunctional nanoplatforms with sustained antimicrobial activity, improved aqueous dispersibility, and compatibility with food packaging, sanitizers, and water treatment systems. 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. Antimicrobial ; Surface modification ; Polyethylene glycol ; Biofilm ; Surface engineering ; Anti-Infective Agents ; Biofouling Metal-Organic Frameworks: Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: Ilia Korniltsev | Vasily Bazhenov | Alexander Gorbunov | Dmitry Cheshkov | Stanislav I. Bezzubov | Vladimir Kovalev | Ivan Vatsouro
Source: Beilstein Journal of Organic Chemistry (article, 2026-03-09)
Field: Chemistry — Organic Chemistry

Cone <i>p</i> -aminocalix[4]arenes enriched with ‘clickable’ alkyne or azide functionalities Efficient approaches have been developed for the synthesis of heteromultifunctional cone calix[4]arenes containing four amino groups at the wide rim and one, two or four propargyl or 2-azidoethyl groups at the narrow rim of the macrocycle, which can be used for expanding functionalization of the calixarene core in the well-known amine acylation (or similar reactions) and CuAAC 'click' reactions. Two different strategies were implemented to obtain propargylated and 2-azidoethylated <i>p</i>-aminocalixarenes. In the case of propargylated calixarenes, sterically crowding silyl protection was introduced into the alkyne groups of <i>p-tert</i>-butylcalix[4]arene (multiple) propargyl ethers, and the resulting compounds were <i>ipso</i>-nitrated followed by reduction of the nitro groups. To prepare 2-azidoethylated macrocycles, the <i>ipso</i>-nitration/reduction sequence was applied to <i>p-tert</i>-butylcalix[4]arenes containing 2-tosyloxyethyl groups at the narrow rims followed by replacement of the tosyloxy groups with azide ones. In all cases, <i>p</i>-aminocalix[4]arenes were obtained as the readily cleavable <i>tert</i>-butoxycarbonyl (Boc) derivatives, which was crucial for certain transformation and purification steps. To confirm the functionalization capabilities of the five obtained multifunctional calixarenes, they were reacted with excess benzyl azide or phenylacetylene, taken as representatives, under copper(I) catalysis, resulting in the narrow-rim triazolated macrocycles. By removing the Boc protecting groups and involving the free amino groups in reactions with <i>p</i>-tolyl isocyanate, a series of narrow-rim triazolated tetraureacalix[4]arenes was obtained. Examination of the <sup>1</sup>H NMR spectra of the tetraureas in CDCl<sub>3</sub> showed that in most cases triazole heterocycles do not intervene the formation of homo- and heterodimeric capsules by these compounds. Thus, considering the synthetic value of CuAAC and amine transformations, <i>p</i>-aminocalix[4]arenes enriched with alkyne or azide functionalities can be readily used as multifunctional platforms to obtain even higher functionalized macrocycles. As an example, they can be used for the preparation of sophisticated supramolecular assemblies with homo- or heterodimeric calixarene cores and virtually any functional units attached to them via triazole groups. Propargyl ; Azide ; Surface modification ; Alkyne ; Acylation ; Silylation ; Amine gas treating ; Synthon ; Nitro Supramolecular Chemistry and Complexes ; Catalytic Cross-Coupling Reactions ; Chemical Synthesis and Analysis
Authors: Zoltán Köntös | Flóra Stedra | Viktória Ngo Hang
Source: Chemistry (article, 2026-03-31)
Field: Chemistry — Organic Chemistry

Quantitative Analysis of Substituent Effects in Cu(II) and Co(II) Benzimidazole Complexes: Stability Constants Determined via Acetate-Mediated Synthesis and Benesi–Hildebrand Method Correlated with Hammett σ Parameters This study presents a quantitative investigation of substituent effects on the stability of 1:2 complexes formed between para-substituted 2-phenylbenzimidazole ligands and Cu(II) or Co(II) ions. The ligands, featuring hydroxyl (–OH), chloro (–Cl), and nitro (–NO2) substituents, were synthesized via copper acetate-mediated oxidative cyclization. Stability constants (log K) were determined spectrophotometrically using both the Benesi–Hildebrand and Job methods, which yielded perfectly consistent results and confirmed ML2 stoichiometry. For both metal series, the stability decreases in the order –OH &gt; –Cl &gt; –NO2. Excellent linear correlations were obtained between log K and Hammett σ constants, yielding reaction constants of ρ = −0.79 for Cu(II) and ρ = −1.00 for Co(II). These negative ρ values confirm that electron-donating substituents enhance complex stability by increasing electron density on the donor nitrogen. Furthermore, the stability constants for Cu(II) complexes are approximately two orders of magnitude higher than those for Co(II), in agreement with the Irving–Williams series. This work establishes a clear, predictive structure–stability relationship and validates the combined methodological approach for quantifying metal–ligand interactions in tunable benzimidazole systems. Benzimidazole ; Substituent ; Hammett equation ; Stability (learning theory) ; Quantitative analysis (chemistry) ; Stability constants of complexes ; Linear relationship ; Nitro compound Inorganic and Organometallic Chemistry ; Metal complexes synthesis and properties ; Free Radicals and Antioxidants
Authors: Lukas Killinger | Ronny Hanich-Spahn | Matthias Rudolph | Tobias Oppenländer | René Döpp | A. Stephen K. Hashmi
Source: Catalysts (article, 2026-03-18)
Field: Materials Science — Polymers and Plastics

Systematic Investigation of N-Heterocyclic Carbenes as Innovative Catalysts for the Depolymerization of Polyethylene Terephthalate (PET) The rapid growth of polyethylene terephthalate (PET) waste and the limitations of conventional recycling methods for mixed waste streams emphasize the need for chemical recycling routes that deliver high-value monomers in a sustainable, resource-efficient manner. This work explores N-heterocyclic carbenes (NHCs) as organocatalysts for the glycolysis of PET with ethylene glycol to bis(hydroxyethyl)terephthalate (BHET), aiming for milder conditions and higher activity. A systematic catalyst screening links steric and electronic properties (percent buried volume, Tolman electronic parameter) of the NHCs to performance in the glycolysis process, resulting in a catalyst system with high PET conversion (up to 97%) and BHET yield (up to 65%). Mechanistic investigations (experimental and computational) support an anionic activation pathway for glycolysis. To lower the reaction temperature, selective cosolvent systems were explored, albeit with some loss of catalytic activity. Cooperative catalysis combining NHCs with Lewis acids enhances activity, leading to a high conversion (up to 90%) while maintaining lower temperatures than state-of-the-art glycolysis methods. The process was successfully transferred to post-consumer waste streams to validate the practicality. Depolymerization ; Catalysis ; Ethylene glycol ; Yield (engineering) ; Polyethylene glycol ; Monomer ; Lewis acids and bases Polymer crystallization and properties ; N-Heterocyclic Carbenes in Organic and Inorganic Chemistry ; Fiber-reinforced polymer composites
Authors: Jeanet Conradie
Source: Molecules (article, 2026-04-07)
Field: Chemistry — Organic Chemistry

Comparative Review of O,O′-, N,O-, and N,N′-Bidentate Ligands: Structural and Electronic Properties of β-Diketones, Enaminones, and β-Diketiminates Bidentate ligands, derived from the 1,3-dicarbonyl framework, play a central role in coordination chemistry, catalysis, and materials science due to their tuneable donor properties and structural versatility. This review examines and compares three closely related ligand classes, β-diketones (O,O' donors), imino-β-diketones or enaminones (N,O donors), and di-imino-β-diketones or β-diketiminates (N,N' donors), to elucidate how systematic substitution of oxygen by nitrogen affects structure and properties. The discussion integrates spectroscopic data (NMR and IR), crystallographic findings, electrochemical measurements, and density functional theory (DFT) calculations reported in the literature. Across these systems, tautomerism plays a decisive role, with conjugation-stabilized enol or enamine forms generally preferred in solution and the solid state. Frontier molecular orbital analyses show extensive delocalization over the chelate backbone and, when present, aromatic substituents. Electrochemical studies reveal consistent correlations between experimental reduction potentials and calculated LUMO energies for <i>O</i>,<i>O</i>'-, <i>N</i>,<i>O</i>-, and <i>N</i>,<i>N</i>'-bidentate ligands. Overall, the comparison demonstrates that donor atom substitution within a conserved conjugated scaffold provides a systematic approach to tuning acidity, coordination behaviour, and redox properties, offering a coherent framework for understanding structure-property relationships in 1,3-dicarbonyl-derived chelating ligands. Delocalized electron ; Density functional theory ; Tautomer ; Electrochemistry ; Conjugated system ; Enol ; Substitution (logic) ; Electronic structure ; Ligand (biochemistry) Synthesis and Characterization of Pyrroles ; Phosphorus compounds and reactions ; Organometallic Complex Synthesis and Catalysis
Authors: Arantxa Forte-Castro | Juana M. Pérez | Ignacio Fernández
Source: Dalton Transactions (article, 2026-01-01)
Field: Chemistry — Inorganic Chemistry

Coordination flexibility and function in tris(pyrazolyl)methanesulfonate coordination chemistry Tris(pyrazolyl)methanesulfonate (Tpms) ligands constitute water-compatible scorpionate platforms that combine the facial <i>N</i>,<i>N</i>,<i>N</i> donor set of classical tris(pyrazolyl)borates (Tp) or tris(pyrazolyl)methane (Tpm) with an appended sulfonate functionality that enhances hydrolytic robustness, solubility in polar media and coordination flexibility. Over the last two decades, Tpms chemistry has evolved from simple alkali-metal salts into structurally diverse complexes spanning much of the periodic table, in which the sulfonate group may remain non-coordinating or engage as an auxiliary, often hemilabile, donor. This donor complementarity enables κ<sup>3</sup>/κ<sup>2</sup> coordination switching, modulation of nuclearity, access to multinuclear and polymeric architectures, and fine control over metal-centre environments. In this Perspective, we critically analyse the emerging structure-property relationships that govern Tpms coordination modes, stability and dimensionality and assess how these features translate into enabling functions in oxidation and carbonylation catalysis, Lewis-acid-mediated C-C bond formation, biologically active silver and copper systems, and coordination polymer design. Finally, we outline key challenges and opportunities for the field, including rational ligand-design strategies to control sulfonate engagement, the need for mechanistic benchmarking under aqueous and green conditions, and the potential of Tpms ligands as general scaffolds for sustainable and functional inorganic chemistry. Coordination complex ; Sulfonate ; Coordination polymer ; Flexibility (engineering) ; Complementarity (molecular biology) ; Rational design ; Carbonylation ; Aqueous solution Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Chemistry and Complexes ; Organometallic Complex Synthesis and Catalysis
Authors: Yuan Fang | Xinqi Zhou | Cliff I. Stains
Source: ChemRxiv (article, 2026-03-23)
Field: Chemistry — Spectroscopy

Solvent-Free Generation of Universal Templates for Heteroatom Xanthene Fluorophores Heteroatom-substituted xanthene dyes have attracted significant attention for development of imaging probes and functional dyes for reporting on biologically relevant analytes. However, synthetic access to diverse heteroatom xanthenes has been hindered by the sensitivity of heteroatom functional groups to commonly utilized synthetic procedures in the field. Herein, we develop a solvent-free strategy to access templates that can be used for late-stage installation of the heteroatom functionality. Dyes can be obtained using templates generated from our solvent-free approach within three steps. We demonstrate the utility of this approach by synthesizing and characterizing dyes with phosphinate ethyl ester-and borinate-bridging functionalities that are sensitive to commonly used synthetic manipulations in the field. This approach allows access to dyes with increased chemical stability, quantum yield, structural diversity, and sensitivity for target analytes that cannot be obtained using traditional methods. As an example, this methodology is used to obtain a borinate-containing dye capable of producing a >14,000-fold increase in ratiometric signal upon reaction with H2O2. We anticipate that the new dyes described herein will provide improved imaging probes and tools and that our solvent-free approach will enable the diversification of heteroatom xanthenes for applications in imaging and chemical biology. Xanthene ; Heteroatom ; Template ; Analyte ; Fluorescence ; Chemical synthesis Molecular Sensors and Ion Detection ; Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics
Authors: Pengcheng Xing | Boxuan Yang | Linli Meng | Tianqi Jia | Shengjie Wang
Source: Molecules (article, 2026-03-05)
Field: Chemistry — Inorganic Chemistry

Recent Advances in Titanium-Based Metal–Organic Frameworks: Structure, Property, and Application in Photocatalysis Metal-organic frameworks (MOFs) possess ordered pore structure, high surface area, tunable composition and tailorable functionality, and thus present promising prospect in many applications. Among them, titanium-based MOFs (Ti-MOFs) composed of organic ligands and titanium-oxygen clusters exhibit great potential in photocatalysis, owing to their diverse topological configurations, outstanding photocatalytic activity, low toxicity, and easy production. The latest developments in Ti-MOFs, including the synthetic strategies, structural features, methods for enhancing catalytic performance, and typical applications, were reviewed in this paper. The application in CO<sub>2</sub> reduction, hydrogen evolution, organic pollutant removal, and photocatalytic sensing were emphasized. Moreover, we present a distinctive perspective on the relationship between the structure and their applications of Ti-MOFs, and provide new information in the design and construction of advanced Ti-MOFs for high-efficiency photocatalytic conversion. Photocatalysis ; Catalysis ; Metal-organic framework ; Pollutant ; Surface structure Metal-Organic Frameworks: Synthesis and Applications ; Advanced Nanomaterials in Catalysis ; Catalytic Processes in Materials Science