jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Christos Panagiotopoulos | Melpo Karamitrou | Costas A. Charitidis | Stamatina Vouyiouka
Source: ACS Applied Polymer Materials (article, 2025-09-08)
Field: Materials Science — Polymers and Plastics

Succinic Acid as a Sustainable Curing Agent for High-Performance, Rapidly Reprocessable Epoxy Vitrimers This work explores the use of succinic acid (SA) for developing a series of high-performance vitrimers with fast network rearrangement starting from a diepoxy oligomer (DGEBA). Succinic, being a short-chain biobased acid, permitted the formation of tailored epoxy vitrimers with desired properties, while its stability and crystalline nature provided curing latency. By tailoring the molar ratios of the reactive end-groups, catalyst type [Zn(acac)2 or Sn(oct)2] and loading, cross-link densities, reactive moieties, and mechanical and viscoelastic properties were readily manipulated. The resulting vitrimers exhibited a densely cross-linked network (Tg ∼ 94–133 °C, E ∼ 2.3–3 GPa, σmax ∼ 61–68 MPa) combined with a small statistical distance between hydroxyl-ester moieties, therefore fast reprocessing/relaxation (e.g., 700 s at 160 °C), while being thermally stable (T2% ∼ 330 °C, Td ∼ 400 °C). All prepared vitrimers were easily reprocessable, achieving a retention of E even after three reprocessing cycles and 75 to 90% recovery of tensile strength (σmax). Excess epoxy allowed for homopolymerization reactions, yielding a number of nonexchangeable bonds and fewer hydroxyl moieties, which increased brittleness while suppressing creep and relaxation abilities. For the 1:0.75 vitrimer, which provided the best balance between high cross-link density and rapid relaxation, the effect of Sn(oct)2 loading (0, 1, 2.5, and 5% mol) was further explored. The present study offers a fine-tuning of vitrimer properties without altering any of the formulations and/or manufacturing processes associated with typical thermosets’ production at an industrial level. Epoxy ; Succinic acid ; Curing (chemistry) ; Succinic anhydride ; Catalysis ; Stress relaxation ; Ultimate tensile strength ; Oligomer Polymer composites and self-healing ; Photopolymerization techniques and applications ; Epoxy Resin Curing Processes
Authors: Rahel G. Yitayew | Medhen W. Abebe | Hern Kim
Source: Reactive and Functional Polymers (article, 2025-10-12)
Field: Materials Science — Polymers and Plastics

Fluorine-free electrospun PAN@rosin nanofiber membranes for high-performance waterproof, breathable, and triboelectric wearable applications Electrospinning ; Polyacrylonitrile ; Nanofiber ; Triboelectric effect ; Membrane ; Ultimate tensile strength Conducting polymers and applications ; Advanced Sensor and Energy Harvesting Materials ; Electrospun Nanofibers in Biomedical Applications
Authors: Roxanna Martinez | Ökten Üngör | Cassidy E. Jackson | Firoz Shah Tuglak Khan | Johan van Tol | Joseph M. Zadrozny
Source: Inorganic Chemistry (article, 2025-07-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ligand-Nuclei Effects on Spin Relaxation in V(IV) Complexes Understanding how magnetic nuclei affect spin relaxation is vital for designing robust spin coherence in magnetic materials and molecules. A key question is the extent that magnetic nuclei close to a spin (e.g., in the ligand shell of a metal complex) influence relaxation and how it varies over different classes of nuclei. Herein, we apply high-field EPR, X-band EPR, and ac magnetic susceptibility techniques to a family of five V(IV) complexes of the type [V(C<sub>6</sub>X<sub>4</sub>O<sub>2</sub>)<sub>3</sub>]<sup>2-</sup>, featuring five different sets of 12 nuclear spins on the ligand shell: X = <sup>1</sup>H (<b>1</b>), <sup>2</sup>H (<b>2</b>), <sup>19</sup>F (<b>3</b>), <sup>35/37</sup>Cl (<b>4</b>), and <sup>79/81</sup>Br (<b>5</b>). We found several unanticipated results in these studies. For example, at high-field/-frequency, we found that compound <b>1</b>, with the highest-magnetic-moment ligand nuclear spins, exhibits the longest phase memory relaxation times of the series. Furthermore, at lower fields, we found that the spin-lattice relaxation time and its field dependence were ligand-dependent, despite no obvious change in electronic structure across the five species. Based on this data, structural comparisons, and Raman spectroscopic data, we tentatively conclude that the spin-lattice relaxation properties of <b>1-5</b> stem from fine-tuning of the local magnetic environment with changing identity of the X atoms. Chemistry ; Ligand (biochemistry) ; Relaxation (psychology) ; Spin (aerodynamics) ; Nuclear magnetic resonance ; Crystallography ; Computational chemistry ; Thermodynamics ; Biochemistry ; Receptor Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Electron Spin Resonance Studies
Authors: Jonathan Spring | Natalya S. Fedorova | Alexandru B. Georgescu | Alexander Vogel | Gabriele De Luca | Simon Jöhr | Cínthia Piamonteze | Marta D. Rossell | Jorge Íñiguez | Marta Gibert
Source: ACS Nano (article, 2025-04-08)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Engineering the Magnetic Transition Temperatures and the Rare Earth Exchange Interaction in Oxide Heterostructures The properties of functional oxide heterostructures are strongly influenced by the physics governing their interfaces. Modern deposition techniques allow us to accurately engineer interface physics through the growth of atomically precise heterostructures. This enables minute control over the electronic, magnetic, and structural characteristics, which in turn allows for the tuning of the properties of the heterostructures and can even lead to the emergence of properties not present in the individual heterostructure components. Here, we investigate the magnetic properties of tailor-made superlattices employing the ferromagnetic and insulating double perovskites RE<sub>2</sub>NiMnO<sub>6</sub> (RE = La, Nd), featuring distinct Curie temperatures. Adjusting the superlattice periodicity at the unit cell level allows us to engineer the magnetic phase diagram. Large periodicity superlattices conserve the individual para- to ferromagnetic transitions of the La<sub>2</sub>NiMnO<sub>6</sub> and Nd<sub>2</sub>NiMnO<sub>6</sub> parent compounds. As the superlattice periodicity is reduced, the Curie temperatures of the superlattice constituents converge and, finally, collapse into one single transition for the lowest period samples, illustrating that low-periodicity superlattices behave as a unique material. This is a consequence of the magnetic order parameter propagating across the superlattice interfaces, as supported by a minimal Landau theory model. Further, we find that the Nd-Ni-Mn exchange interaction can be enhanced by the superlattice interfaces. This leads to a field-induced reversal of the Nd magnetic moments, as confirmed by synchrotron X-ray magnetic circular dichroism measurements and supported by first-principles calculations. Our work demonstrates how superlattice engineering can be employed to fine-tune the magnetic properties in oxide heterostructures and broadens our understanding of magnetic interfacial effects. Materials science ; Rare earth ; Heterojunction ; Oxide ; Condensed matter physics ; Chemical physics ; Nanotechnology ; Engineering physics ; Chemistry ; Optoelectronics ; Physics ; Metallurgy Magnetic and transport properties of perovskites and related materials ; Advanced Condensed Matter Physics ; Electronic and Structural Properties of Oxides
Authors: Jinghe Guo | Yanxiang Wang | Yingfan Li | Shichao Dai | B.Z. Ding | Dantong Liu | Yue Sun
Source: Journal of Alloys and Compounds (article, 2025-11-25)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Self-compensating strategy constructed TiO2@MXene/NiFe2O4 magneto-dielectric composite for microwave absorption and corrosion resistance Composite number ; Heterojunction ; Permittivity ; Impedance matching ; Reflection loss ; Microwave ; Lamellar structure ; Dielectric ; Dielectric loss Electromagnetic wave absorption materials ; Magnetic Properties and Synthesis of Ferrites ; Advanced Antenna and Metasurface Technologies
Authors: Liangzhi Cao | Han Yan | Qi Tan | Wen‐Bin Sun
Source: Journal of Molecular Structure (article, 2025-06-11)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Synergistic structural-electronic strategy enhances magnetic relaxation in DyIII single-molecule magnets Chemistry ; Magnet ; Magnetic relaxation ; Single-molecule magnet ; Relaxation (psychology) ; Molecule ; Nuclear magnetic resonance ; Magnetization ; Magnetic field ; Organic chemistry ; Neuroscience ; Mechanical engineering Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes ; Advanced NMR Techniques and Applications
Authors: Jiyeon Min | Madolyn Britt | Bernard R. Brooks | Sergei Sukharev | Jeffery B. Klauda
Source: Biophysical Journal (article, 2025-05-20)
Field: Chemistry — Spectroscopy

Thermodynamics of arginine interactions with organic phosphates Thermodynamics ; Chemistry ; Arginine ; Environmental chemistry ; Biochemistry ; Physics ; Amino acid Molecular Sensors and Ion Detection ; Advanced Polymer Synthesis and Characterization ; Photochromic and Fluorescence Chemistry
Authors: R. Vikkash | S. Muthukumaran | M. Rakchana
Source: Journal of Physics and Chemistry of Solids (article, 2025-05-27)
Field: Materials Science — Materials Chemistry

Structural, photoluminescence, and photo-catalytic analysis of Mn and Cr dual doped ZnS nanostructures via co-precipitation route Photoluminescence ; Doping ; Dual (grammatical number) ; Nanostructure ; Catalysis ; Materials science ; Precipitation ; Chemical engineering ; Nanotechnology ; Chemistry ; Optoelectronics ; Physics ; Organic chemistry Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Advanced Photocatalysis Techniques
Authors: D. Indronil | I. M. Nazmul
Source: Applications in Engineering Science (article, 2025-05-16)
Field: Materials Science — Materials Chemistry

On the convolutive development of elastic substrate media as nano foundation This study introduces a novel framework for developing models of elastic substrate foundations using an integral convolution approach. The proposed methodology systematically breaks down the applied load function into integral components and employs a multiplicative kernel transformation to derive the governing equations for substrate behavior. By extending traditional foundation models like the Winkler and Pasternak models, this formulation incorporates shear interactions and spatial variations in material properties, thereby addressing limitations in conventional approaches. The resulting equations effectively capture both local and global effects of applied loads, providing a more accurate representation of substrate behavior in heterogeneous, anisotropic, and non-uniform systems. The validity of the proposed model is verified through comparisons with established theories, demonstrating its precision and broader applicability to complex structural scenarios. The convolution-based formulation also enhances the analysis of advanced loading conditions and nonlinear material responses, making it highly adaptable to real-world engineering applications. The analytical and numerical results of this study contribute significantly to structural mechanics, especially in the design and analysis of beams, plates, and other structural elements interacting with elastic substrates. The findings have potential applications in nano- and micro-scale engineering, geotechnical studies, and advanced material modeling, highlighting the importance of nonlocal elasticity in contemporary structural analysis. Foundation (evidence) ; Substrate (aquarium) ; Nano- ; Materials science ; Computer science ; Composite material ; Geology ; History ; Archaeology ; Oceanography Nonlocal and gradient elasticity in micro/nano structures ; Numerical methods in engineering ; Composite Structure Analysis and Optimization
Authors: Lei Li
Source: Materials Technology Reports (article, 2025-06-03)
Field: Chemistry — Organic Chemistry

Catalytic strategies for synthesizing disentangled ultrahigh molecular weight polyethylene via homogeneous FI catalyst-based polymerization Ultrahigh molecular weight polyethylene (UHMWPE) is a high-performance polymer renowned for its exceptional mechanical strength, wear resistance, and chemical stability, making it indispensable in medical, industrial, and protective applications. However, its highly entangled molecular structure severely limits processability due to its extreme melt viscosity. Recent advancements in homogeneous catalyst-based polymerization, particularly using bis(phenoxyimine) titanium (FI) catalysts, have enabled the synthesis of disentangled UHMWPE (dis-UHMWPE), offering a breakthrough in overcoming these challenges. FI catalysts exhibit unique advantages, including living polymerization behavior, single-site homogeneity, and tunable steric/electronic effects, allowing precise control over molecular weight, narrow polydispersity, and reduced entanglement density. These features facilitate solvent-free solid-state processing, significantly improving melt processability while enhancing mechanical properties compared to conventional Ziegler-Natta (Z-N) catalyst-derived UHMWPE. Notably, key strategies such as low-temperature polymerization, cocatalyst modification, and optimized reaction kinetics when using an FI catalyst further ensure controlled chain propagation and crystallization, minimizing entanglements. This review highlights the transformative potential of FI-catalyzed dis-UHMWPE, including its inherent properties, advantages, and technical implementation details, in the preparation of dis-UHMWPE, setting a new benchmark for sustainable and high-performance polyolefin materials. Catalysis ; Homogeneous ; Polymerization ; Polyethylene ; Materials science ; Chemical engineering ; Polymer chemistry ; Chemistry ; Organic chemistry ; Polymer ; Composite material ; Physics ; Thermodynamics Organometallic Complex Synthesis and Catalysis ; Fiber-reinforced polymer composites ; Polymer crystallization and properties
Authors: Arka Porey | Ramon Trevino | Sachchida Nand | Seth O. Fremin | Shree Krishna Dhakal | Babu Raj Dhungana | Arko Das | Vy Nguyen | W. T. Thompson | Diana Morán | Chandan Kumar Giri | Hadi D. Arman | Daniel Wherritt | Oleg V. Larionov
Source: ChemRxiv (preprint, 2025-04-07)
Field: Chemistry — Organic Chemistry

Construction of sulfur stereocenters by asymmetric geminate recasting The reactions of radical pairs formed by light- or heat-induced homolysis are of fundamental importance to many biochemical processes, as well as production of pharmaceuticals, industrial chemicals, and polymers. For chiral compounds, cleavage of a bond to a stereocenter produces a radical pair whose recombination can reconstitute the stereocenter in either enantiomeric form. While racemization is typically observed, catalytic conversion of racemic mixtures to single enantiomers is a synthetically desirable direction. However, it poses the challenge of controlling the reactivity of rotationally and translationally free prochiral radicals that can engage in various deleterious processes independently of each other. Here, we report how such control can be achieved by means of asymmetric geminate recasting, which involves a sequence of homolysis and recombination of the radical pair in a solvent cage promoted by a chiral photocatalyst. This approach enabled construction of chiral sulfur stereocenters, addressing an important problem in asymmetric synthesis. A bespoke chiral indium photocatalyst promoted deracemization of sulfinamides that can serve as versatile precursors to valuable chiral sulfur functional groups. Asymmetric geminate recasting provides an approach to imparting stereocontrol in homolytic reactions that produce chemically unbound radical pairs. We anticipate that further exploration of this framework in broader structural settings can open new avenues for diversification of chiral motifs in medicinal chemistry, materials science, and catalysis. Stereocenter ; Sulfur ; Chemistry ; Organic chemistry ; Enantioselective synthesis Polydiacetylene-based materials and applications ; Insect Pheromone Research and Control
Authors: André Dickert | Patrick Wolff | W. Kretschmer | Rhett Kempe
Source: Journal of Polymer Science (article, 2025-06-16)
Field: Chemistry — Organic Chemistry

Synthesis of <scp>HDPE</scp> ‐ <i>b</i> ‐ <scp> <i>i</i> PP </scp> Diblock Copolymers via Subsequent Coordintive Chain‐Transfer Polymerization and Their Use as Compatibilizers for <scp>HDPE</scp> / <scp> <i>i</i> PP </scp> Blends ABSTRACT An envisioned circular economy of commonly used polymers, high‐density polyethylene (HDPE) and isotactic polypropylene ( i PP), is challenging due to their immiscibility with almost all other plastics. Therefore, highly effective compatibilizers and synthetic protocols permitting their large‐scale production are highly desirable. Herein, we report the efficient one‐pot synthesis of strictly linear HDPE‐ b ‐ i PP diblock copolymers achieved by coordinative chain transfer polymerization (CCTP). Various diblock copolymers with short and very narrow distributed HDPE ( M n = 1400–2400 g × mol −1 ; Ð = 1.4) and long i PP segments were synthesized and used to compatibilize HDPE/ i PP blends. The synthesized block copolymers differ in their overall molecular weights ( M n = 10,600–60,600 g × mol −1 ) by varying the i PP segment, whereas the HDPE block was kept in a narrow range. Block copolymers with a molecular weight from M n = 23,000–39,000 g × mol −1 are competitive or outperform commercial compatibilizers, INFUSE TM and INTUNE TM , with the highest efficiency in compatibilizing 30/70 (wt./wt.) HDPE/ i PP blends by a 5 wt.‐% copolymer addition. SEM studies revealed that after adding the diblock copolymer, HDPE core shell structures were formed, and the HDPE particle size decreases compared to the neat blend, avoiding HDPE particles from debonding during tensile deformation tests. High-density polyethylene ; Copolymer ; Polymer chemistry ; Polymerization ; Chain transfer ; Chemistry ; Chemical engineering ; Polyethylene ; Polymer ; Organic chemistry ; Radical polymerization ; Engineering Advanced Polymer Synthesis and Characterization ; biodegradable polymer synthesis and properties ; Polymer crystallization and properties
Authors: Ahamad Irfan | Naga Venkateswara Rao Nulakani | Upendar Reddy Gandra | Róbert Gyepes | Petr Henke | Martin Kubů | Jiří Mosinger | Youssef Belmabkhout | Q. Ahsanulhaq | Jiřı́ Čejka | Russell E. Morris | Zhehao Huang | Mohamad Akbar Ali | M. Infas H. Mohideen
Source: Inorganic Chemistry (article, 2025-02-13)
Field: Chemistry — Inorganic Chemistry

Mechanistic Insights into Solvent-Mediated Halide-Specific Irreversible Transformation of Cu-MOF with Iodide Detection Capability The fascinating feature of metal-organic frameworks is that they can respond to external stimuli, unlike other inorganic materials. This feature corresponds to the framework's flexibility, which originates with the long-range crystalline order of the framework accompanied by cooperative structural transformability. We have synthesized a novel metal-organic framework comprised of Cu(I) nodes with pyrazine linkers and benzene-1,3,5-tricarboxylate acting as template anions, named CUCAM-1 [Cu(Py)<sub>2</sub>(BTC)]<sub>n</sub>. In the presence of polar solvent systems, CUCAM-1 undergoes an irreversible structural transformation to yield a mixed phase that consists of HKUST-1 [Cu<sub>3</sub>(BTC)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]<sub>n</sub> and another CUCAM-2 [Cu(Py)(BTC)]<sub>n</sub> MOFs, whose novel structure is successfully revealed by continuous rotation electron diffraction from the mixture. In this structural transformation, a new ligand exchange occurs where template anions become ligands, confirmed by single crystal X-ray analysis. Further, structural transformation and the mechanism are explained by ab initio molecular dynamics (AIMD) simulations. Interestingly, different halides (F<sup>-</sup>, Cl<sup>-</sup>, and Br<sup>-</sup>) can be accompanied to affect/control the composition of the second phase by favoring the formation of the HKUST-1 phase over CUCAM-2, which was evident by the powder X-ray diffraction studies. Furthermore, the structural transformation induced by I<sup>-</sup> resulted in a colorimetric response due to the formation of a new MOF CUCAM-3, paving the way for use as an iodide detector. Chemistry ; Halide ; Iodide ; Solvent ; Transformation (genetics) ; Combinatorial chemistry ; Inorganic chemistry ; Organic chemistry ; Biochemistry Metal-Organic Frameworks: Synthesis and Applications ; Mercury impact and mitigation studies ; Advanced Nanomaterials in Catalysis
Authors: Stephen D. P. Fielden | Sean M. Collins | Matthew J. Derry | Caterina Ducati | Simon M. Fairclough | Alisha J. Miller | Rachel K. O’Reilly | Paul D. Topham
Source: Nature Communications (article, 2025-11-28)
Field: Materials Science — Materials Chemistry

Kinetically controlled hetero-fusion is a systems-level behaviour of polymer nanoparticle populations Particle fusion is key for establishing communication between biological components. For this reason, whole cell fusion plays a crucial role in many processes, including infection, muscle formation and tissue repair. Analogous co-assembly between synthetic nanoparticles represents a similar type of communication mechanism in artificial systems. Other approaches to control such co-assembly rely on incorporating anisotropic recognition units onto particle surfaces to provide a thermodynamic driving force. Here we present a fundamentally different approach, where hetero-fusion between two populations of undecorated polymer nanoparticles is regulated using kinetic control. Fusion extent is tuned simply by adjusting polymer chain length. Fusion is probed using an elemental tagging strategy for cryogenic scanning transmission electron microscopy combined with electron energy loss spectroscopy (cryo-STEM-EELS). Our results demonstrate the emergence of a complex process between populations of synthetic nanoparticles akin to communication. We anticipate such systems-level behaviour that results from hetero-fusion can enable future technologies. Fusion ; Nanoparticle ; Polymer ; Particle (ecology) ; Spectroscopy ; Transmission electron microscopy ; Electron energy loss spectroscopy ; Mechanism (biology) Pickering emulsions and particle stabilization ; Micro and Nano Robotics ; Polymer Surface Interaction Studies
Authors: Aditya Lade | Khetal Vasant Surana | Sai Srinivas Ponugoti | Shreerang V. Joshi
Source: RSC Mechanochemistry (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

One-pot synthesis of aldimines <i>via</i> single screw extrusion: a mechanochemical approach We report a continuous, solvent-free method for aldimine synthesis using single-screw extrusion that achieves near-quantitative yields with water as the sole byproduct. Aldimine ; Extrusion ; Materials science ; Mathematics ; Chemistry ; Composite material ; Organic chemistry ; Catalysis Inorganic and Organometallic Chemistry ; Supramolecular Chemistry and Complexes ; Crystallography and molecular interactions
Authors: B. Kevin Park | Wei Bai | Lam Cheung Kong | Herman H. Y. Sung | Ian D. Williams | Guochen Jia
Source: Inorganic Chemistry Frontiers (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Metathesis reactions of Re( <scp>v</scp> ) carbyne complexes with functionalized terminal alkynes d 2 Re( v ) carbyne complexes Re(CR)Cl 2 (PMePh 2 ) 3 , can undergo stoichiometric metathesis with a range of terminal aryl and aliphatic alkynes (HCCR′), yielding substituted carbyne complexes Re(CR′)Cl 2 (PMePh 2 ) 3 and HCCR. Carbyne ; Terminal (telecommunication) ; Metathesis ; Chemistry ; Salt metathesis reaction ; Stereochemistry ; Catalysis ; Organic chemistry ; Carbene ; Polymer ; Polymerization ; Computer science Synthetic Organic Chemistry Methods ; Organometallic Complex Synthesis and Catalysis ; Catalytic Alkyne Reactions