jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Minyar Mnakri | Sourour Ben Yahya | Mohamed Tliha | R. Barillé | Abderrazek Oueslati
Source: RSC Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Ag-based delafossite structure prepared by solid-state reaction: investigation of optical, electrical, and dielectric properties A<sup>I</sup>B<sup>III</sup>O<sub>2</sub> delafossite-type oxide materials have garnered considerable attention due to their significant physical and chemical characteristics, which have expanded their applications across various devices. This research examines AgCrO<sub>2</sub>, highlighting its advantageous optical and electrical properties. X-ray diffraction (XRD) analysis confirms that the studied sample is well-crystallized in an orthorhombic structure with an <i>R</i>3̄<i>m</i> space group. The studied compound with a particle size of 1.75 μm was identified using transmission electron microscopy (TEM). The band gap energy was determined through UV-visible spectroscopy and was found to be 2.8 eV. A detailed analysis of Nyquist plots demonstrates the sensitivity of the material's electrical characteristics to variations in frequency and temperature. Applying Jonscher's power law to the AC conductivity as a function of temperature suggests that the conduction mechanism in the temperature range of 313 K to 613 K can be explained by the correlated barrier hopping (CBH) model, with an activation energy of 0.47 eV from 313 K to 493 K and 1.03 eV from 523 K to 613 K. Parameters such as the hopping distance <i>R</i> <sub>ω</sub> and the density of localized states N(EF) were determined. The Kohlrausch-Williams-Watts (KWW) equation was employed to analyze the asymmetric curves of the electrical modulus. Additionally, the thermal variation of permittivity was interpreted using the Maxwell-Wagner effect as described by Koop's theory. Moreover, its high capacity and electrical conductivity highlight its potential for application in optoelectronic devices. Delafossite ; Dielectric ; Solid-state ; Oxide ; Materials science ; Chemical engineering ; Optoelectronics ; Nanotechnology ; Engineering physics ; Physical chemistry ; Chemistry ; Metallurgy ; Physics Copper-based nanomaterials and applications ; Dielectric properties of ceramics ; Quantum Dots Synthesis And Properties
Authors: Alessia Colombo | Claudia Dragonetti | Francesco Fagnani | Dominique Roberto | Simona Fantacci
Source: Molecules (article, 2025-02-21)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Dipolar Copper(I) Complexes: A Novel Appealing Class of Highly Active Second-Order NLO-Phores The second-order nonlinear optical (NLO) properties of the known heteroleptic complex [Cu(1,10-phenanthroline)xantphos][PF<sub>6</sub>] (complex <b>1</b>) and the related new complexes [Cu(5-NO<sub>2</sub>-1,10-phenanthroline)xantphos][PF<sub>6</sub>] and [Cu(5-NO<sub>2</sub>-1,10-phenanthroline)(dppe)][PF<sub>6</sub>] (dppe = 1,2-bis(diphenylphosphino)ethane) (complexes <b>2</b> and <b>3</b>) were investigated in solution by the EFISH (Electric Field-Induced Second Harmonic generation) technique, working at a non-resonant wavelength of 1907 nm. It turned out that they are characterized by large μβ values (957-1100 × 10<sup>-48</sup> esu), much higher than that of the Disperse Red One benchmark. Unexpectedly, the homoleptic complex [Cu(2-mesityl-1,10-phenanthroline)<sub>2</sub>][PF<sub>6</sub>] (complex <b>4</b>) shows a similar high second-order NLO response. Quantum chemical calculations based on Density Functional Theory (DFT) methods have been carried out to give insight into the electronic structure of the investigated complexes in relation to NLO properties. This investigation, which represents the first EFISH study on copper(I) complexes, opens a convenient route for the development of low-cost dipolar NLO-active heteroleptic [Cu(P^P)(N^N)][PF<sub>6</sub>] and homoleptic [Cu(N^N)<sub>2</sub>][PF<sub>6</sub>] complexes. Copper ; Order (exchange) ; Class (philosophy) ; Chemistry ; Combinatorial chemistry ; Materials science ; Computer science ; Organic chemistry ; Business ; Artificial intelligence Nonlinear Optical Materials Research ; Organic and Molecular Conductors Research ; Porphyrin and Phthalocyanine Chemistry
Authors: Pablo Msellem | Geoffrey Groslambert | Louise Miton | Mickaël Pomes-Hadda | Nathan J. Van Zee | Clément Guibert | Guillaume Vives
Source: Journal of the American Chemical Society (article, 2025-01-28)
Field: Chemistry — Organic Chemistry

Sequential and Time-Controlled Sol–Gel Transitions by Mechanical Switching of Molecular Tweezers Controlling the motion of molecular machines to influence higher-order structures is well-established in biological systems but remains a significant challenge for synthetic analogs. Herein, we aim to harness the mechanical switching of switchable molecular tweezers to modulate their self-assembly and produce stimuli-responsive organogels. We report a series of terpy(Pt-salphen)<sub>2</sub> molecular tweezers functionalized with alkyl chains that act as low-molecular-weight gelators (LMWGs) in their open conformation. The resulting organogels were thoroughly characterized by SEM, cryo-TEM, SAXS, and rheology. The macroscopic transition from gel to solution was achieved by the cation-induced closing of the tweezers, which triggers their substantial structural reorganization. Reversible sol-gel transitions were achieved through the sequential addition of chemical stimuli or by a decomposable acid in a time-controlled operation. Such transient disassembly process regulated by a chemical fuel enables multiple gelation cycles with minimal waste while maintaining stable rheological properties. These results underscore the potential of switchable molecular tweezers in creating advanced stimuli-responsive materials. Chemistry ; Molecular tweezers ; Tweezers ; Nanotechnology ; Molecule ; Physical chemistry ; Organic chemistry ; Supramolecular chemistry Supramolecular Chemistry and Complexes ; Supramolecular Self-Assembly in Materials ; Photoreceptor and optogenetics research
Authors: Vaibhav S. Marde | Dipayan Mondal | Duddu S. Sharada | Ashutosh Kumar Mishra
Source: Chemistry - An Asian Journal (article, 2025-05-01)
Field: Materials Science — Materials Chemistry

Judicially Designed Boranil Analogue as Multi‐Stimuli Material Displaying Rewritable Behavior In this paper, we report a systematic investigation related to the solid-state emission and mechanochromic properties by using a series of judicially designed boranil analogues. Interestingly, subtle chemical modification around the boranil and the attached appendage, thereby regulating the steric clash and/or rotational possibility have been found to play a vital role in governing the functional outcome. While smaller and closely connected appendages to the boranil moiety (B-Ph, B-Py, B-TPA, and B-p-Ph) were found to be mechanochromically inactive or insignificant changes were observed, the bulkier appendage with spacer (B-p-TPA and B-p-PY) have shown reversible mechanochromic behavior having spectra shift of 21 and 17 nm, respectively. Furthermore, the potential of B-p-TPA as rewritable material was investigated and reported. In-depth studies related to structural elucidation, solution/solid phase spectroscopy, as well as theoretical calculations; were performed to support the observations. Computer science ; Materials science ; Neuroscience ; Psychology Luminescence and Fluorescent Materials ; Supramolecular Self-Assembly in Materials ; Molecular Sensors and Ion Detection
Authors: Wendy A. Jonkers | Maxime Precheur | J. Roberto Andrade | Wiebe M. de Vos | Esra te Brinke
Source: ACS Applied Materials & Interfaces (article, 2025-03-27)
Field: Materials Science — Surfaces, Coatings and Films

Highly Selective Polyelectrolyte Multilayer Membranes Through Hydrophobic Interactions Polyelectrolyte multilayer (PEM) membranes are highly promising for the removal of organic micropollutants (OMPs) from wastewater. However, for the removal of small OMPs, dense membranes with a low molecular weight cutoff (MWCO) are required. It has been recently demonstrated that MWCO correlates with PEM swelling by water. We therefore propose that dense membranes could be fabricated by enhancing hydrophobic interactions to decrease swelling. Controlled synthesis of hydrophobic polycations was achieved by quaternization of poly(4-vinylpiridine) (P4VP) with alkyl chains of varying length, which will also enhance its chemical stability. Optical reflectometry shows that multilayers can be successfully grown with the quaternized P4VPs (QP4VPs) and poly(styrenesulfonate) (PSS). Permeability and MWCO tests demonstrate that the membrane density can indeed be increased by increasing the length of the alkyl chain. Polycation terminated membranes are denser than polyanion membranes, likely due to the higher ratio of hydrophobic polycation. Propyl-QP4VP/PSS membranes have a MWCO as low as 230 Da. In line with the MWCO, OMP retention increases with increasing alkyl chain length. The QP4VP membranes studied here outperform commonly used poly(diallyldimethylammonium chloride) PDADMAC/PSS membranes in selectivity and are made with more chemically stable polyelectrolytes than other dense PEM membranes. The presented research confirms that PEM density correlates with hydrophobicity, and that PEM membranes can be densified through the addition of alkyl chains. Polyelectrolyte ; Materials science ; Membrane ; Chemical engineering ; Nanotechnology ; Polymer ; Composite material ; Chemistry Polymer Surface Interaction Studies ; Membrane Separation Technologies ; Surface Modification and Superhydrophobicity
Authors: Sunaina S. Patil | Hari Prasad Dasari | Rahulkumar Shirasangi | Harshini Dasari
Source: Materials Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Diesel soot oxidation over Mn–Pr–Ce oxide catalysts: structural changes and the impact of Mn doping The soot oxidation activity of manganese-doped ceria-praseodymium catalysts, synthesized via solution combustion synthesis, was evaluated. Soot ; Praseodymium ; Catalysis ; Manganese ; Combustion ; Doping ; Materials science ; Diesel exhaust ; Inorganic chemistry ; Oxide ; Manganese oxide ; Chemistry ; Metallurgy ; Organic chemistry Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Thermal and Kinetic Analysis
Authors: Jie Xu | Hong Cao | Chenwei Wu | Ting Wang | Liheng Sun | Biao Dong
Source: Biosensors (review, 2025-05-23)
Field: Materials Science — Materials Chemistry

Recent Progress on Rare-Earth-Doped Upconversion Nanomaterials for Bioassay Applications Rare-earth-doped upconversion nanoparticles (UCNPs) have been widely used in biological detection due to their unique anti-Stokes shift, stable chemical properties, tunable emission wavelengths, and low biotoxicity. However, their low fluorescence quantum yield remains a challenge. Constructing a high-performance detection platform based on UCNPs is therefore a critical consideration. Focusing on the biological detection applications of UCNPs, this paper introduces the fundamental principles of upconversion and the design of upconversion fluorescence probes. It then summarizes common strategies for enhancing upconversion luminescence and three biosensing platform formats: solution-based, strip-based, and plate-based. Finally, future directions for UCNPs in biological detection are discussed. Photon upconversion ; Nanotechnology ; Nanomaterials ; Rare earth ; Fluorescence ; Materials science ; Doping ; Biosensor ; Quantum yield ; Optoelectronics ; Optics ; Physics Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials ; Radiation Detection and Scintillator Technologies
Authors: Miao Dai | F. Li | Shujuan Fang | Dedong He | Jichang Lu | Yu Shrike Zhang | Xiaohua Cao | Jiangping Liu | Dingkai Chen | Yongming Luo
Source: Materials (review, 2025-04-15)
Field: Materials Science — Materials Chemistry

Advances in Nanostructured Electrodes for Solid Oxide Cells by Infiltration or Exsolution Solid oxide cells (SOCs) are highly efficient and versatile devices capable of utilizing a variety of fuels, presenting promising solutions for energy conversion and renewable resource utilization. There is an urgent need for the strategic design of robust and high-efficiency materials to enhance both conversion and energy efficiencies before SOCs can be applied for large-scale industrial production. Nanocomposite electrodes, especially those fabricated through infiltration and metal nanoparticle exsolution, have emerged as highly active electrocatalytic materials that significantly improve the performance and durability of SOCs. This review systematically summarizes and analyzes recent advances in the nanoscale architecture of electrode materials fabricated via common nanoengineering strategies, including infiltration and in situ exsolution, with applications in CO<sub>2</sub>/H<sub>2</sub>O reduction, hydrocarbon electrochemical oxidation, solid oxide fuel cells, and reversible operation. Finally, this review highlights existing bottlenecks and promising breakthroughs in common nanotechnologies, aiming to provide useful references for the rational design of nanomaterials for SOCs. Nanoengineering ; Materials science ; Nanotechnology ; Nanocomposite ; Oxide ; Nanomaterials ; Fuel cells ; Renewable energy ; Electrode ; Chemical engineering ; Engineering ; Electrical engineering ; Metallurgy Advancements in Solid Oxide Fuel Cells ; Electronic and Structural Properties of Oxides ; Catalytic Processes in Materials Science
Authors: Vinicius Firmino dos Santos | Eduardo R. Almeida | Lucas Miguel Pereira Souza | André Silva Pimentel | Madeleine Ramstedt | Thereza A. Soares
Source: Macromolecules (article, 2025-05-24)
Field: Materials Science — Surfaces, Coatings and Films

Coarse-Grained Parameters for Simulations of Methyl-Methacrylate-Based Polymer Brushes That Reproduce Experimental Swelling Coefficients Polymer brushes exhibit unique structural and dynamic properties compared to free polymers due to their confined and tethered nature. While coarse-grained (CG) models for free polymers are well-established in the literature, their direct application to polymer brushes is limited. This is because brushes demonstrate distinct conformational behaviors, scaling laws, and responses to environmental stimuli that may not be accurately captured by models developed for free polymers. We have systematically evaluated chemically specific CG parameters within the MARTINI v3 force field for methyl-methacrylate-based polymer brushes. We have found that the most CG parameter assignments led to an excessive coiling of the brush chains and a strong dependence of the calculated swelling coefficient SC with the water model used (RW, SW, and TW). We traced these issues to an imbalance between polymer–polymer and polymer–water interactions. The revised parameter set accurately reproduced experimental swelling coefficients for methyl-methacrylate-based brushes with varying grafting densities, pH responsiveness, charge, and hydrophilicity, namely, poly(dimethylaminoethyl methacrylate) (pDMAEMA), poly((2-methacryloyloxy)-ethyl trimethylammonium chloride) (pMETAC), poly[2-(methacryloyloxy)ethyl dimethyl-(3-sulfopropyl)] ammonium hydroxide (pMEDSAH), and poly(3-sulfopropyl methacrylate) (pSPMA). Furthermore, these parameters mitigated brush chain hypercoiling and dependence on the water model, ensuring better reproducibility of experimental data and alignment with theoretical brush models. Swelling ; Methyl methacrylate ; Polymer ; Methacrylate ; Polymer chemistry ; Materials science ; Composite material ; Polymer science ; Copolymer Polymer Surface Interaction Studies ; Surfactants and Colloidal Systems ; Advanced Polymer Synthesis and Characterization
Authors: Zixuan Liu | Alberto Saiani | Aline F. Miller
Source: Faraday Discussions (article, 2025-01-01)
Field: Materials Science — Biomaterials

Investigating the co-assembly of amphipathic peptides Self-assembling peptide hydrogels (SAPHs) are increasingly recognised for their potential in biomedical and bioelectronic applications, with recent work focusing on exploiting the understanding of molecular self-assembly across the length scales. The resulting soft hydrogel materials are typically formulated by exploiting the self-assembly of short peptides into fibrillar aggregates that entangle and associate into networks. As more complex systems are thought to be needed to accommodate the needs of various applications, the mixing of peptides to form mixed SAPHs has come to the fore as a potential approach to design new systems with tailored and functional properties. This strategy has raised the question of whether mixing peptides with different chemical structures results in co-assembly or the formation of distinct fibrillar aggregates. In this work, we have used the FITC/Dabcyl FRET pair to investigate the co-assembly of a set of amphipathic short peptides. Our results show that the occurrence of co-assembly is affected the peptides' physicochemical properties, in particular solubility and hydrophobic residue side-group nature. Self-healing hydrogels ; Amphiphile ; Nanotechnology ; Self-assembly ; Chemistry ; Peptide ; Materials science ; Biochemistry ; Copolymer ; Polymer chemistry ; Organic chemistry ; Polymer Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Chemical Synthesis and Analysis
Authors: Egon Götz Höfgen | Sulalit Bandyopadhyay
Source: Discover Nano (article, 2025-01-07)
Field: Materials Science — Biomaterials

Insights into semi-continuous synthesis of iron oxide nanoparticles (IONPs) via thermal decomposition of iron oleate The increasing demand for magnetic iron oxide nanoparticles (IONPs) in biomedicine necessitates efficient and scalable production methods. Thermal decomposition offers excellent tailoring of the particle properties but its discontinuous batch-operation is restricting scale-up and industrial application. To overcome these challenges, several studies have demonstrated semi-continuous thermal decomposition by slowly injecting the precursor, though only half of them produce magnetite IONPs and even fewer use iron oleate precursors. The available studies are limited, often focusing on single synthesis variables and a comprehensive mapping of the physicochemical properties to reaction conditions is missing. Here we present our investigation of semi-continuous thermal decomposition of iron oleate as a route for the synthesis of magnetic IONPs. We achieved the semi-continuous synthesis of spherical IONPs with properties matching those obtained via the conventional heat-up method. We explored the the effect of multiple synthesis variables, namely addition rate, dwell time, iron oleate amount, oleic acid amount, temperature and consistently report magnetic saturation of our samples. We found that the dwell time seemingly has a stronger effect on particle sizes and magnetic saturation than the addition speed, within moderate addition rates, and further are we the first to report the effect of reaction temperature on semi-continuous synthesis. The iron oleate precursor obtained from salt exchange was employed without pretreatment or dilution thereby facilitating a streamlined synthesis process. An oxidative phase transfer was used to mitigate the key challenge of hydrophobicity of oleate-capped IONPs, enabling their potential use in biomedical applications. Our work advances the understanding of of synthesis-property relationships of IONPs by demonstrating the translation of established synthesis protocols into more efficient and scalable processes through which it provides insights for developing and optimizing future production protocols for various applications. Thermal decomposition ; Iron oxide nanoparticles ; Iron oxide ; Nanoparticle ; Materials science ; Magnetic nanoparticles ; Chemical engineering ; Dwell time ; Particle size ; Nanotechnology ; Chemistry ; Organic chemistry Nanoparticle-Based Drug Delivery ; Electrohydrodynamics and Fluid Dynamics ; Iron oxide chemistry and applications
Authors: Zhuoer Wang | C. H. Chu | Aiyou Hao | Pengyao Xing
Source: Angewandte Chemie International Edition (article, 2025-04-01)
Field: Chemistry — Organic Chemistry

Dynamic Borate Esterification for Evolved Supramolecular Chirality and Chiral Optics Topological chemical reactions in confined environments offer unique opportunities for constructing dynamically tunable crystalline materials and architecturally defined polymers. However, their potential within functional supramolecular systems and chiral materials remains largely untapped. In this work, we introduce, for the first time, a borate esterification reaction to achieve dynamic modulation of supramolecular chirality and chiroptical properties under aggregation conditions. Pyrene-phenylalanine derivatives, following functionalization with phenylboronic acid groups, coassemble with catechol-functionalized pyrene derivatives. This coassembly undergoes spontaneous and highly efficient borate esterification under ambient conditions, inducing nanoscale morphological evolution, and an inversion of supramolecular chirality. Both experimental results and DFT-based computations reveal that the supramolecular chirality inversion is primarily driven by a transition from π-π stacking to CH-π interactions between pyrene moieties. This coassembly-borate esterification process represents a powerful integration of noncovalent assembly and covalent chemistry, providing a versatile platform for the design of soft materials and chiral functional systems. Moreover, the introduction of alizarin derivatives containing catechol motifs enables the transfer of circularly polarized luminescence (CPL), resulting in tunable emission shifts from blue and cyan to red. This work broadens the functional scope of chiral luminescent materials and opens new avenues for their application. Supramolecular chemistry ; Chirality (physics) ; Supramolecular chirality ; Pyrene ; Luminescence ; Materials science ; Supramolecular assembly ; Chemistry ; Photochemistry ; Nanotechnology ; Combinatorial chemistry ; Organic chemistry ; Molecule Polydiacetylene-based materials and applications ; Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials
Authors: Larissa Anastácio da Costa Carvalho | Gabriela Mattos | Natasha K. Sitton | Jamilly Barros | Débora Micheline Vaz de Miranda | Rodrigo Almeida Luciano | José Carlos Pinto
Source: Processes (article, 2025-07-03)
Field: Materials Science — Polymers and Plastics

A Survey on the Chemical Recycling of Polyolefins into Monomers The growing global concern over plastic waste accumulation has brought this issue to the forefront of environmental discussions. The increasing demand for plastic materials has led to the widespread production of plastic resins. However, the low cost of plastics, combined with high supply and consumption rates, has resulted in a troubling surge in post-consumer plastic waste. At the same time, the essential role plastics play in ensuring quality, convenience, and modern living has made them indispensable. In this context, the concept of circularity introduces a transformative shift in consumption habits, product design, and the management of raw materials and waste. A central strategy for promoting circularity in the plastics economy is the development of chemical recycling technologies. These processes aim to convert plastic waste into higher-value materials for the chemical industry, often generating liquid and gaseous products that can serve as feedstocks—ideally leading to the recovery of the original monomers. As polyolefins are the most widely used plastics worldwide, efficient recovery of their corresponding monomers is crucial to advancing circular strategies. This review explores current methods for the chemical depolymerization of polyolefins and critically analyzes efforts focused on the direct recovery of olefinic monomers. Polymer science ; Monomer ; Chemistry ; Organic chemistry ; Polymer Polymer crystallization and properties ; Polymer Science and PVC ; Chemistry and Chemical Engineering