jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiang Jia | Tai‐Bao Wei | Qi Lin | Bingbing Shi | Hong Yao | Wenjuan Qu | Jin-Fa Chen
Source: Chemical Communications (article, 2025-12-05)
Field: Chemistry — Organic Chemistry

Bridged chemistry of macrocyclic arenes: from sp <sup>3</sup> -carbon bridges to π-conjugation and heteroatom bridging Macrocyclic arenes are a class of host molecules featuring precisely adjustable cavities and abundant recognition sites, which facilitate rich host-guest interactions. Their bridging structures-such as methylene groups, conjugated units, and heteroatoms (<i>e.g.</i>, O, S, N, and Si)-can be rationally designed to fine-tune cavity microenvironments, conformational dynamics, and optoelectronic properties. These capabilities make them key building blocks for constructing molecular containers, sensors, and smart supramolecular assemblies. In recent years, macrocyclic arenes constructed from various aromatic building units and bridging groups have gained widespread attention due to their highly symmetrical rigid frameworks, tunable electronic properties, and rich host-guest chemical behaviors. This article systematically reviews the research progress in this class of macrocyclic arenes, focusing on the regulatory effects of different bridging structures on their cavity sizes, conformational features, and optoelectronic properties. It summarizes the latest developments in synthetic strategies such as one-pot methods, fragment coupling, and post-synthetic modifications and discusses their applications in molecular recognition, pollutant adsorption, optoelectronic material construction, and stimuli-responsive systems. Finally, we look ahead to the challenges and development prospects facing macrocyclic arenes in design synthesis and future applications, aiming to provide useful references and insights for research in this field. Bridging (networking) ; Heteroatom ; Supramolecular chemistry ; Conjugated system ; Molecule ; Methylene ; Molecular conformation Supramolecular Chemistry and Complexes ; Synthesis and Properties of Aromatic Compounds ; Supramolecular Self-Assembly in Materials
Authors: Angus Shephard | Lucie Pedussaut | Linda De Marchi | Luca Demonti | Thayalan Rajeshkumar | Nicolas Casaretto | Laurent Maron | Grégory Danoun | Thomas Simler | Grégory Nocton
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Inorganic Chemistry

Room temperature dinitrogen cleavage and hydrogenation with organometallic complexes of uranium The conversion of dinitrogen into ammonia plays an important role in sustaining life on Earth and serves as a significant building block for our planet's future. The Haber-Bosch process, although a well-established method for converting hydrogen and nitrogen gases into ammonia using metal-based heterogeneous catalysts, requires an extensive industrial infrastructure, limiting its accessibility and flexibility. Molecular systems, whether supported or unsupported, offer the advantage of allowing fine-tuning of the metal properties and the involved elementary steps, which ultimately leads to a better understanding of the transformations. In this context, we present findings on the reactivity of dinitrogen with an organometallic uranium complex featuring the bulky Cp<sup>ttt</sup> ligand (Cp<sup>ttt</sup> = 1,2,4-tris(<i>tert</i>-butyl)cyclopentadienyl). This complex demonstrates the ability to cleave and hydrogenate dinitrogen under mild conditions, at ambient temperature and atmospheric pressure. Most notably, the rich redox chemistry of uranium enables the direct reduction of N<sub>2</sub> into a unique formal U<sup>IV</sup> dimer featuring an end-on coordinated (N<sub>2</sub>)<sup>4-</sup> bridging ligand, the cornerstone of the observed reactivity. Uranium ; Cleave ; Ammonia ; Hydrogen ; Redox ; Cleavage (geology) ; Dimer ; Organometallic chemistry ; Reactivity (psychology) Radioactive element chemistry and processing
Authors: Zeyu Liu | Liangliang Huo | Zhan Sun | Jianfeng Wu | Baoliang Zhang
Source: Science China Materials (article, 2025-10-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Raspberry-structured composite microspheres with enhanced electromagnetic wave attenuation via controlling the carbothermal process Reflection loss ; Microwave ; Composite number ; Electromagnetic radiation ; Attenuation ; Absorption (acoustics) ; Carbonization ; Impedance matching ; Microstructure Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Metamaterials and Metasurfaces Applications
Authors: Constantin M. Nuber | Anna Milton | Benedikt Nissl | Mercedes Álvarez | Benjamin R. G. Bissinger | Manjima B. Sathian | Cedric Pignot | Annsophie Haberhauer | Dongqing Wu | Céline Douat | Sabine Schneider | Stephan M. Hacker | Pavel Kielkowski | David B. Konrad
Source: JACS Au (article, 2025-11-28)
Field: Chemistry — Organic Chemistry

A Highly Reactive Cysteine-Targeted Acrylophenone Chemical Probe That Enables Peptide/Protein Bioconjugation and Chemoproteomics Analysis To date, a variety of covalent cysteine-reactive chemical probes have been reported. The most common ones include maleimide for bioconjugation and iodoacetamide alkyne (IAA) for chemoproteomics analyses. Their applicability, however, is limited due to, e.g., the hydrolytic lability of maleimide adducts and the slow reaction kinetics as well as the inability to record the entirety of the cysteinome with IAA. This is compounded by the missing potential to fine-tune their reactivity tailored to advanced applications. To generate a high-reactivity, cysteine-selective chemical probe with broad utility, we have performed an in-depth investigation into the acrylophenone scaffold. The aryl group connected to the vinyl ketone chemotype can be readily substituted, which provides the potential to fine-tune the reactivity and install a bioorthogonal handle. We took advantage of this feature by modifying acrylophenone-alkyne (APA) with two ortho chlorine groups to generate <i>ortho</i>-dichloroacrylophenone-alkyne (CAPA), which increased the stability of the probe and the yield of its cysteine adducts. To showcase the reactivity, we performed reaction rate analyses with model reagents. The selectivity was demonstrated by specifically labeling cysteine residues within two peptides under physiological conditions. To investigate its utility toward bioconjugation reactions, we performed the stoichiometric labeling of two proteins. Remarkably, CAPA was successfully implemented as a high-reactivity cysteine-selective chemical probe into activity-based protein profiling (ABPP) experiments using both in-gel fluorescence (in-gel ABPP) and mass spectrometry analyses. The chemoproteomics workflow, named isoDTB-ABPP, allowed us to highlight that CAPA provides a complementary approach to IAA in expanding the coverage of the cysteinome. Bioconjugation ; Bioorthogonal chemistry ; Maleimide ; Cysteine ; Covalent bond ; Reactivity (psychology) ; Chemical modification ; Adduct ; Iodoacetamide ; Chemical biology Click Chemistry and Applications ; Chemical Synthesis and Analysis ; Biotin and Related Studies
Authors: E. Vidal-Martin | Magdalena Garcı́a | P.L. Arias | Itziar Oyarzabal | Andreï Rogalev | Nathan J. Yutronkie | Iker Agirrezabal-Tellería | Jesús Saiz Galdós | V. I. Petrenko | Miryam Gil-Calvo | Roberto Fernández de Luis
Source: Catalysis Today (article, 2025-07-29)
Field: Chemistry — Inorganic Chemistry

Tuning the oxidative activity of copper-sites in Zr(IV)-C4 metal-organic frameworks Copper-based homogeneous catalysts have repeatedly demonstrated the critical importance of precisely controlling the coordination environment of active sites to fine-tune their activity, efficiency, or selectivity— a versatility that is still far from being achieved in traditional copper catalysts supported on zeolite or aluminosilicate. This is precisely where metal–organic frameworks (MOFs) can make a difference, offering structural and chemical versatility that enables precise control over their pore environments. In this research, we have employed three new halide rich zirconium microporous MOFs, to later on stabilize copper ions with bromide and thiol rich coordination environments. These copper-based catalysts have thoroughly evaluated over the dopamine oxidation via hydrogen peroxide activation. Following the elucidation of the copper site characteristics using a combination of EPR, UV-Vis, XPS, and XAS spectroscopic techniques, a clear correlation was established between these features and their ability to activate hydrogen peroxide and oxidise dopamine. This work highlights the significant catalytic advantage offered by copper active sites featuring bromide- and thiol-rich coordination environments within MOFs. This approach differs markedly from conventional strategies, which typically rely on nitrogen- or oxygen-based ligands to stabilise metal ions in these microporous materials Copper ; Oxidative phosphorylation ; Catalysis ; Metal-organic framework ; Chemistry ; Metal ; Inorganic chemistry ; Organic chemistry ; Biochemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Radioactive element chemistry and processing ; Catalytic Processes in Materials Science
Authors: Harrison de la Rosa‐Ramírez | Miguel Aldás | Cristina Pavón | Franco Dominici | Marco Rallini | Débora Puglia | Luigi Torre | J. López | María Dolores Samper
Source: Biomimetics (article, 2025-12-01)
Field: Materials Science — Biomaterials

Design and Characterization of Sustainable PLA-Based Systems Modified with a Rosin-Derived Resin: Structure–Property Relationships and Functional Performance The design of sustainable polymer systems with tunable properties is essential for next-generation functional materials. This study examines the influence of a phenol-free modified rosin resin (Unik Print™ 3340, UP)-a maleic anhydride- and fumaric acid-modified gum rosin-on the structural, thermal, rheological, and mechanical behavior of four poly(lactic acid) (PLA) grades with different molecular weights and crystallinity. Blends containing 3 phr of UP were prepared by melt compounding. Thermogravimetric analysis showed that the incorporation of UP did not alter the thermal degradation of PLA, confirming stability retention. In contrast, differential scanning calorimetry revealed that UP affected thermal transitions, suppressing crystallization and melting in amorphous PLA grades and shifting the crystallization temperature to lower values in semi-crystalline grades. The degree of crystallinity decreased for low-molecular-weight semi-crystalline PLA but slightly increased in higher-molecular-weight samples. Mechanical tests indicated that UP acted as a physical modifier, increasing toughness by over 25% for all PLA grades and up to 60% in the amorphous, low-molecular-weight grade. Rheological measurements revealed moderate viscosity variations, while FESEM analysis confirmed microstructural features consistent with improved ductility. Overall, UP resin enables fine tuning of the structure-property relationships of PLA without compromising stability, offering a sustainable route for developing bio-based polymer systems with enhanced mechanical performance and potential use in future biomimetic material designs. Differential scanning calorimetry ; Thermogravimetric analysis ; Crystallinity ; Crystallization ; Rheology ; Toughness ; Thermal stability ; Polymer ; Dynamic mechanical analysis biodegradable polymer synthesis and properties ; Polymer Foaming and Composites ; Polymer composites and self-healing
Authors: Yan-Xiang Ling | Ju-Suo Zhong | Xinyu Tong | Zhan‐Guo Jiang | Cai‐Hong Zhan
Source: Dalton Transactions (article, 2025-11-10)
Field: Materials Science — Materials Chemistry

Ligand evolution in cadmium sulfide nanoclusters: tailoring surface coordination for atomic precision Cadmium sulfide (CdS) nanoclusters, as an important member of the II-VI group of semiconductor nanomaterials, have a wide range of applications in the fields of optoelectronic devices, luminescence, sensing and self-assembly. The surface coordination chemistry of CdS nanoclusters plays a pivotal role in dictating their synthesis, stability, and properties. In this paper, we summarize the research progress in CdS nanoclusters in terms of both surface coordination chemistry and synthesis strategies. At the level of surface coordination chemistry, comprehensive and systematic research on carboxylate ligands has thoroughly elucidated their coordination modes, types, and dynamic behavior on the surfaces of CdS/CdSe nanocrystals. In contrast, for CdS nanoclusters driven by ligands such as carboxylates, thiols, iodines and phosphines, the research focuses on their core structure, and the interaction mechanism between the core and the ligand of CdS clusters has been elucidated. These studies indicate that the final structure of CdS nanoclusters is determined not only by the arrangement of their core atoms but also by the type of surface ligand and coordination mode. In terms of synthesis strategies, this review systematically analyzes solvothermal, high-temperature, ion-exchange, and two-step synthesis schemes from two major types of thiol and non-thiol ligands. The importance of ligand selection and fine-tuning of experimental conditions in achieving structurally precise CdS nanocluster preparation is highlighted. Finally, the paper looks at the core challenges and opportunities for future development in this field, aiming to provide guidance for the in-depth exploration and functionalization of CdS nanoclusters. Nanoclusters ; Ligand (biochemistry) ; Cadmium sulfide ; Coordination complex ; Surface modification ; Sulfide ; Core (optical fiber) Quantum Dots Synthesis And Properties ; Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Yujie Zhang | Hongli Jia | Yanru Yin | Jian Hou | Huifang Guo | Qi Li | Xin Chen | Simin Li | Jinrun Dong | Hui Shen
Source: Chemical Communications (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

One-pot synthesis of atomically precise chiral PtAg<sub>4</sub> nanoclusters We report the synthesis and structural characterization of [PtAg<sub>4</sub>Cl(BDPP)<sub>4</sub>H]<sup>2+</sup>, a novel bimetallic complex featuring an intrinsically chiral architecture. The heterometallic Pt-Ag core exhibits distinctive optical properties, while the chiral BDPP (BDPP is 2,4-bis(diphenylphosphino)pentane) ligand not only induces structural asymmetry but also fine-tunes the electronic and steric characteristics of the complex. Nanoclusters ; Pentane ; Bimetallic strip ; Steric effects ; Characterization (materials science) ; Ligand (biochemistry) ; Chemistry ; Materials science ; Asymmetry ; Crystallography ; Nanotechnology ; Stereochemistry ; Physics ; Organic chemistry ; Catalysis Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis
Authors: Saeedeh Rastgar | Noureddine Elboughdiri
Source: Journal of Fluorescence (article, 2025-09-10)
Field: Materials Science — Materials Chemistry

Environmentally friendly synthesis of carbon quantum dots (CQDs) to enhance photocatalytic activity for the photodegradation of various organic dyes and the evolution of hydrogen and oxygen Photocatalysis ; Photodegradation ; Environmentally friendly ; Green chemistry ; Nanomaterials ; Quantum dot ; Rhodamine B ; Catalysis Carbon and Quantum Dots Applications ; Advanced Photocatalysis Techniques ; Quantum Dots Synthesis And Properties
Authors: Bo Hou | Yan Jing Wu | Yu Shao | Wenbin Zhang
Source: Polymer science & technology. (article, 2025-10-05)
Field: Chemistry — Organic Chemistry

Undulating Cylinder-in-Lamellae Morphologies Formed in Giant Bolaform Lipids Unconventional phases are often assembled from molecules with unique chemical structures. Herein, we report the facile synthesis and phase behavior of a series of giant bolaform lipids featuring an oligosiloxane-functionalized polyhedral oligomeric silsesquioxane (SixPOSS) tethered at the middle of a polystyrene (PS) chain and two perfluoroalkyl-functionalized POSS (FPOSS) moieties attached, one at each terminus. By tuning the volume fraction of the SixPOSS, various phases have been identified utilizing small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM), including lamellae (LAM), three-phase-four-layer lamellae (LAM3), and a unique column in undulating lamellae phase with c2mm symmetry (Colc2-in-LAMu). Temperature-dependent experiments and a semiquantitative calculation of the structural parameters were carried out to analyze the structural feature and formation mechanism of this unconventional phase. Notably, the thin film morphologies of these giant bolaform lipids exhibit similar features with the lamellar layers oriented parallel to the silicon wafer surface. This study provides valuable insights into fine-tuning macromolecular assembly and understanding the rationale of unconventional phase formation via molecular topology engineering. Lamellar structure ; Silsesquioxane ; Phase (matter) ; Transmission electron microscopy ; Macromolecule ; Lamellar phase ; Silicon ; Molecule Advanced Polymer Synthesis and Characterization ; Lipid Membrane Structure and Behavior ; RNA Interference and Gene Delivery
Authors: Chang Koon Wong | Nadia Adrus | Nur Aina Farhana Mat Nasir | Jamarosliza Jamaluddin | Rosnani Hasham | Siti Pauliena Mohd Bohari
Source: Industrial Crops and Products (article, 2025-04-17)
Field: Materials Science — Biomaterials

Tailored hydrogel properties through blending homopolymer celluloses: A novel approach for sustainable biomaterials The growing reliance on synthetic polymers for hydrogel production underscores the urgent need to explore natural polymers, particularly cellulose. However, molecular weight (MW) of cellulose, depending on its source significantly affects the hydrogel’s physicochemical properties. Here, we report a simple yet compelling strategy to fine-tune the physicochemical properties of the hydrogel by blending cellulose of varying MWs. High and low MW celluloses were extracted from pineapple leaf fiber (PALF) and Orthosiphon aristatus stem fiber (OASF) through chemical pre-treatments, then blended in varying ratios, dissolved in N, N -dimethylacetamide/lithium chloride, and regenerated in an ethanol-vapor environment to form PALF/OASF hydrogels. Blending high-MW PALF with low-MW OASF cellulose produced hydrogels with distinct physicochemical properties. Pure PALF (PALF100-OASF0) exhibited the highest viscosity (303 cP), gel fraction (33.26 %), crystallinity (52.6 %), Young's modulus (1.12 MPa), and cohesiveness (2.2 g·s), indicating strong polymer interactions and chain entanglement. In contrast, pure low-MW OASF (PALF0-OASF100) showed the lowest values. Blending high-MW PALF with low-MW OASF reduced these properties while increasing the equilibrium swelling ratio and mesh size, enhancing hydrogel flexibility for biomaterial applications. The antibacterial property of hydrogel is improved by loading tannic acid and exhibited antibacterial activity against E. coli . This study highlights the transformative potential of valorizing agricultural waste into cellulose-blend hydrogels, promoting a circular economy. By integrating sustainability into material science, these bio-based hydrogels offer a promising pathway for future innovations in waste management and advanced biomaterials, paving the way for eco-conscious solutions in various industries. • Natural cellulose offers an alternative to synthetic polymers in hydrogel. • Cellulose molecular weight varies with its source, affecting the hydrogel’s properties. • Tuning of naturally fixed cellulose molecular weight can be achieved by homopolymer blending. • The hydrogel has potential as biomaterial for skin patch and contact lenses. • This study promotes sustainability and drives waste management innovation. Self-healing hydrogels ; Polymer science ; Chemical engineering ; Materials science ; Polymer chemistry ; Chemistry ; Nanotechnology ; Engineering Advanced Cellulose Research Studies ; Hydrogels: synthesis, properties, applications ; biodegradable polymer synthesis and properties
Authors: Huygen J. Jöbsis | Loreta A. Muscarella | Michał Andrzejewski | Nicola Casati | Eline M. Hutter
Source: Journal of the American Chemical Society (article, 2025-07-03)
Field: Materials Science — Materials Chemistry

Mechanochemical Formation Mechanism of Alloyed AgBi-Elpasolites Mechanochemical ball mill synthesis is an emerging method for producing complex materials, including alloyed halide elpasolite semiconductors. This solvent-free method offers precise control over chemical composition, enabling fine-tuning of the optical and mechanical properties. However, the formation mechanism of alloyed elpasolites remains unclear. In this work, we elucidate the crystallization kinetics of mechanochemical formation of Cs<sub>2</sub>AgBi<sub>0.5</sub>M<sub>0.5</sub>Br<sub>6</sub> [M = Sb<sup>3+</sup>, In<sup>3+</sup>, or Fe<sup>3+</sup>] using <i>in situ</i> synchrotron X-ray diffraction experiments. We identify the reaction intermediates for the parent composition Cs<sub>2</sub>AgBiBr<sub>6</sub>, and we find that -Bi<sub>0.5</sub>Sb<sub>0.5</sub>- forms via a similar reaction pathway. Alloying with In<sup>3+</sup> or Fe<sup>3+</sup>, on the other hand, occurs via an additional cation-exchange step. These insights into the mechanochemical formation mechanisms of alloyed AgBi-elpasolites provide guidelines toward rational compositional engineering of complex materials. Chemistry ; Crystallization ; Synchrotron ; Kinetics ; Ball mill ; Reaction mechanism ; Halide ; Mechanochemistry ; Rational design ; Mechanism (biology) ; Work (physics) ; Chemical engineering ; Nanotechnology ; Inorganic chemistry ; Catalysis ; Thermodynamics ; Organic chemistry ; Materials science Advanced Thermoelectric Materials and Devices ; Quantum Dots Synthesis And Properties ; Phase-change materials and chalcogenides
Authors: Yuchen Yang | Jialong Wu | Sheng-Ye Zhang | Xu Liu | Teng Sun | Yanan Zhao | Lijia Wang
Source: Chemical Science (article, 2025-11-27)
Field: Chemistry — Organic Chemistry

Enantioselective synthesis of vicinal amino alcohols promoted by fluorine-containing counteranions Chiral vicinal amino alcohols are pivotal building blocks in organic synthesis and pharmaceutical research. Herein, we report a chiral copper-catalyzed two-step one-pot strategy for the efficient synthesis of diaryl chiral vicinal amino alcohols, featuring excellent diastereoselectivity (>99 : 1 dr) and enantioselectivity (up to 99.5% ee). A key discovery is the critical role of fluorinated counteranions, which significantly enhance both reactivity and stereocontrol-an underappreciated effect in copper-catalyzed asymmetric reactions. DFT calculations reveal that secondary Cu-F interactions, combined with the spatial confinement of hexafluorophosphate, fine-tune the catalytic chiral environment, enabling precise stereocontrol <i>via</i> modulation of π-π stacking and weak non-covalent interactions. This strategy exhibits broad substrate scope, accommodating diverse aryl, heteroaryl, and functionalized substituents, and allows gram-scale synthesis with facile deprotection to free amino alcohols. The mechanistic insights into counterion effects highlight counterion engineering as a powerful tool for optimizing asymmetric catalysis. Vicinal ; Enantioselective synthesis ; Counterion ; Catalysis ; Stacking ; Substrate (aquarium) ; Reactivity (psychology) Asymmetric Synthesis and Catalysis ; Cyclopropane Reaction Mechanisms ; Catalytic C–H Functionalization Methods