jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Anne Clisson | Véronique Michelet
Source: Advanced Synthesis & Catalysis (article, 2025-09-19)
Field: Chemistry — Organic Chemistry

Gold(I)‐Catalyzed Enantioselective Cycloisomerization of 1,6‐Oxygenated Enynes: An Entry to Hedonic Derivatives A highly efficient gold(I)‐catalyzed enantioselective cycloisomerization of readily available 1,6‐oxygenated enynes is reported, enabling direct access to valuable 3‐oxabicyclo[4.1.0]hept‐4‐ene scaffolds with excellent enantiomeric excesses (up to &gt;99% ee, 35 derivatives), in the presence of a chiral cationic Au(I) catalyst (( S )‐DTBM‐MeOBIPHEP(AuCl) 2 /AgOTf system) in toluene. This methodology uniquely combines high stereoselectivity with good to excellent yields for volatile substrates that have been challenging derivatives in the asymmetric cycloisomerization community. Notably, the resulting chiral bicyclic ethers serve as versatile intermediates for the synthesis of novel hedonic derivatives. A systematic investigation of their odor profiles reveals remarkable differences between enantiomers, demonstrating the profound impact of molecular chirality on olfactory perception. Cycloisomerization ; Enantioselective synthesis ; Enantiomer ; Cationic polymerization ; Chirality (physics) ; Stereoselectivity ; Catalysis Catalytic Alkyne Reactions ; Cyclopropane Reaction Mechanisms ; Catalytic C–H Functionalization Methods
Authors: Iliya D. Stoev | Anasua Mukhopadhyay | Rene Tammen | Erika Eiser
Source: Rheologica Acta (article, 2025-05-01)
Field: Materials Science — Polymers and Plastics

Microrheological characterisation of clay-PEO nanocomposites Abstract Clay-polymer mixtures, characterised by high mechanical stiffness, are widely utilised in strengthening soft and easy-to-break materials. Here, we present microrheological results on shake-gels made of natural (montmorillonite) and synthetic (Laponite) disk-shaped clay particles in combination with poly(ethyleneoxide). These clay-polymer suspensions represent shear-thickening fluids that display a large increase in viscosity upon large-amplitude shaking. By performing both bulk and microrheology experiments, we probe the phase behaviour and mechanical response of these nanocomposites. Slight tuning of either the particle or polymer concentration leads to dramatic changes in the macroscopic appearance of the mixture, transitioning from a low-viscosity fluid to a stiff gel, capable of sustaining its own weight. We relate these observations to microscopic measurements, providing insight into the local reorganisation of the constituting building blocks and the time-evolution of each phase. Nanocomposite ; Montmorillonite ; Materials science ; Polymer science ; Composite material ; Chemical engineering ; Polymer chemistry ; Engineering Polymer Nanocomposites and Properties ; Rheology and Fluid Dynamics Studies ; Polymer crystallization and properties
Authors: Verónica Torregrosa‐Rivero | María Rosell | Jorge Iván Castro | Felipe de la Cruz‐Martínez | José A. Castro‐Osma | Agustín Lara‐Sánchez | Santi Nonell | Javier García‐Martínez | Roger Bresolí‐Obach | Elena Serrano | Cristina Martín
Source: Carbon (article, 2025-06-20)
Field: Materials Science — Materials Chemistry

Are carbon dots cluster-triggered luminogens? How through-space interaction arrangement influence the optical properties of carbon dots Cluster (spacecraft) ; Carbon fibers ; Space (punctuation) ; Materials science ; Quantum dot ; Nanotechnology ; Chemical physics ; Chemistry ; Composite material ; Computer science Carbon and Quantum Dots Applications ; Luminescence and Fluorescent Materials ; Photocathodes and Microchannel Plates
Authors: Raju Adhikary | Matteo Venturi | Giovanna Salvitti | Ambaresh Sahoo | Carino Ferrante | P. Benassi | Francesco Di Stasio | Andréa Toma | Hatice Altug | Massimiliano Aschi | Andrea Marini
Source: Scientific Reports (article, 2025-04-16)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Vibrational circular dichroism of plasmonic nanostructures embedding chiral drugs We investigate the mid-infrared chiroptical response of plasmonic nanostructures based on Al-doped ZnO and layers of an aqueous solution of Ladarixin, a chiral pharmaceutical currently under clinical trial for the treatment of type 1 diabetes. We explore the possibilities offered by localised surface plasmon resonances (LSPRs) for the enhancement of vibrational circular dichroism (VCD) of the considered chiral drug solution. Focusing on diverse plasmonic nanoshell geometries, we find that LSPRs provide an amplification factor of VCD differential absorption cross-section ranging from [Formula: see text] to [Formula: see text] thanks to near-field intensity enhancement produced by LSPRs. Our results indicate that nanoshell LSPRs are promising for probing molecular chirality at the nanoscale. Circular dichroism ; Plasmon ; Vibrational circular dichroism ; Nanostructure ; Embedding ; Materials science ; Nanotechnology ; Chemistry ; Crystallography ; Optoelectronics ; Computer science ; Artificial intelligence Metamaterials and Metasurfaces Applications ; Plasmonic and Surface Plasmon Research ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Rachel C. Phillips | John C. K. Chu | Alex A. Rafaniello | Matthew J. Gaunt
Source: The Journal of Organic Chemistry (article, 2025-08-18)
Field: Chemistry — Organic Chemistry

Selective <i>endo</i>-Cyclic α-Functionalization of Saturated <i>N</i>-Alkyl Piperidines Saturated <i>N</i>-alkyl heterocycles are among the most significant structural motifs in natural products, small-molecule biological probes, and pharmaceutical agents, as evidenced by their prevalence in FDA-approved drugs. Substituted derivatives of these cyclic tertiary alkylamine scaffolds often exhibit markedly different physicochemical and biological properties compared to their unsubstituted counterparts. Consequently, methods for the selective functionalization of these scaffolds would greatly facilitate the optimization of biological activity, physicochemical properties, and systematic evaluations of structure-activity relationships. In this work, we present a robust platform for the late-stage α-functionalization of <i>N</i>-alkyl piperidines through a sequential process involving iminium ion formation followed by nucleophilic functionalization. Key to this strategy is the selective formation of <i>endo</i>-iminium ions from six-membered N-heterocycles, achieved via α-C-H elimination of cyclic tertiary alkylamine <i>N</i>-oxides. This approach provides exceptional <i>endo</i>-selectivity, enabling efficient further functionalization. The method allows for the <i>in situ</i> addition of diverse carbon-based nucleophiles to the iminium intermediates, demonstrated across a range of piperidine-based systems; alkylation, azinylation, and trifluoromethylation are successfully demonstrated through a variety of activation modes. Furthermore, the formal C-H functionalization sequence has been successfully applied to the late-stage modification of complex bioactive molecules, underscoring the potential of this methodology to expand drug-like chemical space. Surface modification ; Alkyl ; Cyclic amines ; Chemistry ; Organic chemistry ; Amine gas treating Catalytic C–H Functionalization Methods ; Fluorine in Organic Chemistry ; Asymmetric Hydrogenation and Catalysis
Authors: Mengmeng Fu | Jialun He | Yingguo Li | Jiacheng Liu | Chensheng Wang | Jiayi Lu | Chaoyang Ma | Danfeng Jiang | Xiao Chen | Chao Yu
Source: Advanced Science (article, 2025-06-29)
Field: Materials Science — Materials Chemistry

Engineering Separated Dual O<sub>2</sub> Reduction Cores into One Polymer Framework for Boosting Hydrogen Peroxide Production Photocatalytic hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) production through the oxygen reduction reaction (ORR) pathway has emerged as a promising sustainable alternative. However, a significant challenge in this field lies in the development of highly efficient photocatalysts capable of achieving high-concentration H<sub>2</sub>O<sub>2</sub> production. Here the rational design of two O<sub>2</sub> reduction cores into one polymer framework is showcased for synergistically facilitating H<sub>2</sub>O<sub>2</sub> production via the "self-marketing & cooperation" strategy. Photoactive units of pyrrolo[3,2-b] pyrrole and porphyrin are successfully settled in covalent organic polymers (COPs) through polycyclizations of the relevant aldehydes, anilines, and butane-2,3-dione. Two orderly separated active sites not only involve each of them in the oxygen reduction reaction but also mutually promote the production of H<sub>2</sub>O<sub>2</sub>, which is demonstrated by electron spin resonance experiments, in situ diffuse reflectance infrared Fourier transform spectroscopy, and a series of control experiments. Remarkably, PP-COP-4 delivers an outstanding H<sub>2</sub>O<sub>2</sub> concentration of 16.2 mM in a continuous-flow system, demonstrating its strong potential for scalable, solar-driven production of commercial-grade H<sub>2</sub>O<sub>2</sub>. Porphyrin ; Hydrogen peroxide ; Photocatalysis ; Fourier transform infrared spectroscopy ; Hydrogen production ; Diffuse reflectance infrared fourier transform ; Pyrrole ; Chemistry ; Polymer ; Photochemistry ; Chemical engineering ; Materials science ; Combinatorial chemistry ; Hydrogen ; Catalysis ; Organic chemistry Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques ; Perovskite Materials and Applications
Authors: Vincenzo Fiore | Riccardo Miranda | Iryna Kovinchuk | Marco Luciano | Alessia Pantaleoni | Irene Bavasso | Fabrizio Sarasini
Source: Polymer Composites (article, 2025-08-27)
Field: Materials Science — Polymers and Plastics

Balancing Sustainability and Performance: Bio‐Based Epoxy Systems for Durable Flax Fiber‐Reinforced Composites ABSTRACT Three bio‐based epoxy systems—Polar Bear, Green Turtle, and Plankton—featuring bio‐carbon contents of 28% to 70%, were combined with recyclable (Recyclamine R101) and non‐recyclable hardeners to produce flax fiber‐reinforced biocomposites. The Polar Bear system demonstrated superior mechanical and thermal properties, while Plankton with recyclable hardener exhibited incomplete curing and poor mechanical performance. Accelerated salt‐fog aging up to 3 months revealed substantial degradation in flexural and interlaminar shear properties within 30 days for most composites, except Green Turtle with recyclable hardener, which maintained mechanical stability and exhibited marked interfacial strengthening even after prolonged exposure. Low‐velocity impact tests up to 7.5 J showed no penetration and comparable energy absorption, with aging causing increased compliance and matrix plasticization. SEM analysis identified significant fiber/matrix debonding in Plankton composites, contrasting with preserved interfacial integrity in Green Turtle systems. Thermogravimetric analysis confirmed negligible changes in thermal degradation post‐aging. These findings highlight the interplay between bio‐carbon content, recyclability, and durability, underscoring the potential of Green Turtle and Polar Bear epoxy systems for sustainable polymer composites with balanced performance and durability. Materials science ; Epoxy ; Composite material ; Sustainability ; Fiber Natural Fiber Reinforced Composites ; Additive Manufacturing and 3D Printing Technologies ; Innovations in Concrete and Construction Materials
Authors: Andrea Cabrero-Martín | Sara Santiago | Verónica Serafín | Marı́a Pedrero | Ana Montero‐Calle | José M. Pingarrón | Rodrigo Barderas | Susana Campuzano
Source: Microchimica Acta (article, 2025-03-19)
Field: Materials Science — Materials Chemistry

Multifunctional cerium nanolabels in electrochemical immunosensing with improved robustness and performance: determination of TIM-1 in colorectal cancer scenarios as a case study A multifunctional cerium oxide nanoparticles (CeO<sub>2</sub>NPs)-based nanolabel is exploited to implement an electrochemical sandwich-type immunoplatform for the determination of T-cell immunoglobulin and mucin domain 1 (TIM-1) biomarker, a mucin-like class I membrane glycoprotein associated with cancer angiogenesis. The immunoplatform is constructed using screen-printed electrodes where capture antibody is immobilized through the chemistry of diazonium salts. CeO<sub>2</sub>NPs exhibit robust pseudo-peroxidase activity even at high substrate concentrations. They are covalently functionalized in a simple manner after carboxylation with a detector antibody (dAb), acting dually as a nanozyme and nanocarrier for sensing bioreceptors. This allows the development of immunoplatforms with improved robustness and performance (in terms of a moderate enhancement in sensitivity, a significant expansion in the linear range, and a reduction in the background current) compared with the immunoplatforms prepared using nanolabels also decorated with the natural enzyme (horseradish peroxidase, HRP) or the conventional enzymatic labeling involving the dAb and an HRP-secondary antibody. Under the optimized experimental conditions, the developed electrochemical immunoplatform allows the highly sensitive detection of the TIM-1 glycoprotein, with a detection limit of 9.9 pg mL<sup>-1</sup> and a linear working range of 33-600 pg mL<sup>-1</sup>. This performance permits biomarker quantification within clinically relevant ranges. This innovative configuration enables the precise diagnosis and stratification of colorectal cancer patients by analyzing plasma samples without pretreatment beyond a sample dilution and allows establishment of the first cut-off values reported for this purpose. Colorectal cancer ; Robustness (evolution) ; Computer science ; Medicine ; Cancer ; Internal medicine ; Chemistry Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Electrochemical sensors and biosensors
Authors: Ding Zhang | Weiqiu Liang | Zhihan Zhang | Liqiang Tan | Zehao Yuan | Zheng Hu | Zhibo Liu | Chao‐Jun Li | Jianbin Li
Source: Nature Communications (article, 2025-09-18)
Field: Chemistry — Organic Chemistry

Bioinspired transfer methylation enabled by a photoactive reagent Radical methylation ranks among the most important yet challenging transformations in chemistry and biology, which often involves small and unstable radical intermediates, such as the methyl radical, and results in low reactivity and poor selectivity. Herein, we report a photoactive, biomimetic reagent to address some facets of these challenges by leveraging a bulky and stabilised α-aminomethyl radical, which can offer enhanced control over radical generation and transfer. Our bioinspired transfer methylation protocol enables direct and selective C(sp<sup>2</sup>)-H methylation across a wide spectrum of heteroarenes, from simple scaffolds to complex drug molecules, including the thus far elusive C4-methylation of free quinolines. Mechanistic studies reveal that the unique α-aminomethyl radical intermediate undergoes an addition-elimination sequence reminiscent of natural methyltransferases and yields balanced reactivity and selectivity. Methylation ; Reagent ; Methyltransferase ; Reactivity (psychology) ; Natural product ; Epigenetics Radical Photochemical Reactions ; Fluorine in Organic Chemistry ; Microbial Community Ecology and Physiology
Authors: Muhammad Talaat | Hamsa Hassan | Ethar Ahmed Mosilhy | Nouran A. Taha | Mohamed Elsaid | Mohamed N. Sharafeldin | Youssef K. Ghallab | Mostafa A. Lotfy | Mohab Ali Abdelqawy | Abdulazeez Ahmed | Mahmoud E. Soliman
Source: Discover Nano (review, 2025-10-29)
Field: Materials Science — Materials Chemistry

Nano-antioxidants for neurodegenerative disorders: a scoping review We noticed a significant underrepresentation of nanoplatform applications and comparative designs. We provided new insights into nanoplatforms research. Moreover, we believe that it is crucial to establish rigorous validation systems and methodological approaches to predict the destiny of these nanocarriers in vivo and inspire the formulation of cost-effective functionalized nanoparticles with less stability or sterility drawbacks. Nanocarriers ; Stability (learning theory) ; Key (lock) ; Clinical Practice Advanced Nanomaterials in Catalysis ; Nanoparticle-Based Drug Delivery ; Nanoparticles: synthesis and applications
Authors: Woo Yeoul Shim | Sang Woo Kim | Juyeon Won | Cheol‐Hee Park | Taek Dong Chung
Source: JACS Au (article, 2025-02-03)
Field: Chemistry — Electrochemistry

Quantitative Electrochemical Analysis Method for Cu Impurities in Nickel–Cobalt–Manganese Cathode Materials Lithium-ion batteries are among the most important energy-storage devices. In this regard, nickel-cobalt-manganese (NCM) cathodes are widely used because of their high energy density and stability. Cu on NCM can enhance the overall performance by aiding lithium-ion transport through cation mixing; however, it leads to issues, such as internal short circuits. The precipitation pH of Cu is high, making its chemical separation from the NCM challenging. Given the impacts and the challenge of separation, an accurate quantification of the residual Cu content in the NCM cathode is essential. Inductively coupled plasma methods struggle with the accurate quantification of trace impurities in NCM owing to the high contents of material elements, leading to instrument malfunction and time-consuming labor. In this study, the introduction of electrochemical methods significantly weakened the matrix effect and facilitated the pretreatment of the solution. In particular, a thin-film electrode (TFE) made of Rh allowed quantification of the Cu present in commercial NCM powder. Cyclic voltammetry and an electrochemical quartz crystal microbalance were used to confirm the formation of two types of underpotential deposition (UPD) Cu on the Rh TFE. Square-wave voltammetry was used to analyze the kinetic differences in Cu<sub>upd</sub> and quantify trace amounts of Cu with high sensitivity. The results included a relative standard deviation of 2.54%, linear range of 13-450 ppb, and limit of detection of 3.9 ppb. The method was successfully applied to commercial NCM products, where the standard addition method determined Cu content in the range 40-60 ppb. This method provides standardized guidelines for both laboratory and industry for evaluating the effects of impurities across various NCM cathodes. Manganese ; Cobalt ; Nickel ; Electrochemistry ; Cathode ; Impurity ; Materials science ; Inorganic chemistry ; Metallurgy ; Copper ; Chemistry ; Electrode ; Physical chemistry Electrochemical Analysis and Applications ; Electrodeposition and Electroless Coatings ; Extraction and Separation Processes
Authors: Ranjana Yadav | Céline Rivaux | C. Nayral | Fabien Delpech | Peter Reiß
Source: Small Structures (article, 2025-11-03)
Field: Materials Science — Materials Chemistry

Large‐Scale Synthesis of InP/ZnS Quantum Dots Using Continuous Flow Chemistry InP quantum dots (QDs) are emerging as promising cadmium‐free alternatives for various applications, including lighting and display technologies. However, the large‐scale, continuous production of high‐quality InP QDs faces several challenges, and robust synthetic approaches applicable on standard flow platforms are lacking. One persisting key issue is the identification of suitable precursors for the continuous‐flow production. Herein, we develop the flow synthesis of InP QDs in a noncoordinating solvent, using trioctylphosphine complexes of indium and zinc chloride as metal precursors, along with tris(oleylamino)phosphine as the phosphorus source. By systematically varying the flow rate and reaction temperature, we achieve precise control over the QD size in the 2–4 nm range. Employing the single‐molecular precursor zinc diethyldithiocarbamate to synthesize a ZnS shell enables the gram‐scale continuous production of InP/ZnS core/shell QDs with a photoluminescence quantum yield of 54%. Solid‐state NMR analysis provides insights into the surface chemistry of the QDs during shell growth, revealing the intermediate formation of an oxide layer acting as a buffer between InP and ZnS. Our findings not only present a scalable approach for the continuous synthesis of InP/ZnS QDs but also deepen the understanding of their surface chemistry, paving the way for further improvements. Quantum dot ; Continuous flow ; Photoluminescence ; Zinc ; Indium ; Quantum yield ; Flow chemistry ; Yield (engineering) Quantum Dots Synthesis And Properties ; Innovative Microfluidic and Catalytic Techniques Innovation ; Nanowire Synthesis and Applications
Authors: Daewon Shim | Junsu Lee | Aziz Ahmed | Ji Hee Pi | Myung‐Ho Choi | Kang Min Ok | Kyu Hyoung Lee | Tae‐Soo You
Source: Molecules (article, 2025-01-14)
Field: Materials Science — Materials Chemistry

Eu-Substituents-Induced Modifications in the Thermoelectric Properties of the Zintl Phase Ba1-xEuxZn2Sb2 System Four quaternary Zintl phase thermoelectric (TE) materials belonging to the Ba<sub>1-<i>x</i></sub>Eu<i><sub>x</sub></i>Zn<sub>2</sub>Sb<sub>2</sub> (<i>x</i> = 0.02(1), 0.04(1), 0.08(1), 0.15(1)) system were successfully synthesized using the molten Pb-flux or the conventional high-temperature reaction methods. Their crystal structures were characterized by both powder and single-crystal X-ray diffraction analyses, and all four isotypic title compounds adopted the orthorhombic BaCu<sub>2</sub>S<sub>2</sub>-type (<i>Pnma</i>, <i>Z</i> = 4, Pearson code <i>oP</i>20) structure. The radius ratio criterion, based on the cationic and anionic elements (i.e., <i>r</i><sub>+</sub>/<i>r</i><sub>-</sub>), was successfully verified in the title system, as in our previous reports, where <i>r</i><sub>+</sub>/<i>r</i><sub>-</sub> > 1 for the BaCu<sub>2</sub>S<sub>2</sub>-type structure. A series of density functional theory calculations were performed using a hypothetical model with the idealized compositions of Ba<sub>0.75</sub>Eu<sub>0.25</sub>Zn<sub>2</sub>Sb<sub>2</sub>, and the results were compared with the ternary parental compound BaZn<sub>2</sub>Sb<sub>2</sub> to understand the influence of Eu substituents in the Ba<sub>1-<i>x</i></sub>Eu<i><sub>x</sub></i>Zn<sub>2</sub>Sb<sub>2</sub> system. A similar overall shape of the density of states (DOS) curves and the near-constant DOS values at <i>E</i><sub>F</sub> before and after the cationic substitution suggest only marginal changes in the carrier concentration. Therefore, carrier mobility has a dominant role in rationalizing the observed variations in the electrical transport properties of the title system. Temperature-dependent TE property measurements proved that an increase in the Seebeck coefficient <i>S</i> and a decrease in electrical conductivity <i>σ</i> were observed as the Eu substituents gradually increased in the Ba<sub>1-<i>x</i></sub>Eu<i><sub>x</sub></i>Zn<sub>2</sub>Sb<sub>2</sub> system, although the overall <i>S</i> and <i>σ</i> values were lower than those in the parental compound BaZn<sub>2</sub>Sb<sub>2</sub>. The thermal conductivities of these title compounds were successfully lowered by phonon scattering, but due to the overall smaller electrical transport properties, the observed maximum <i>ZT</i> was 0.49 at 773 K for Ba<sub>0.98(1)</sub>Eu<sub>0.02</sub>Zn<sub>2</sub>Sb<sub>2</sub>. Thermoelectric effect ; Zintl phase ; Phase (matter) ; Materials science ; Thermoelectric materials ; Chemistry ; Crystallography ; Optoelectronics ; Crystal structure ; Physics ; Thermodynamics ; Organic chemistry Advanced Thermoelectric Materials and Devices ; Heusler alloys: electronic and magnetic properties ; Thermal Expansion and Ionic Conductivity