jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yihuan Lai | Jiachen He | Oliver P Lambert | Joharimanitra Randrianandraina | Jae Wook Lee | Phillip J. Milner
Source: ChemRxiv (article, 2026-01-23)
Field: Chemistry — Organic Chemistry

Electroreductive Radical Olefin Difunctionalization with Fluorinated Gases Enabled by Dosage Delivery from a Metal-Organic Framework Fluoroalkyl groups are crucial for tuning the pharmacokinetic properties of drug-like molecules, motivating the development of practical methods for their late-stage installation. Despite extensive progress, most contemporary fluoroalkylation strategies rely on impractical reagents or harsh reaction conditions, limiting their sustainability and scalability. Electrochemistry offers a compelling alternative by enabling controlled and tunable radical generation under mild conditions; however, electrochemical fluoroalkylation reactions, particularly reductive transformations, remain significantly underdeveloped. Herein, we report a general platform for electroreductive olefin difunctionalization that employs simple fluoroalkyl iodide gases (CF3I, CF3CF2I, CF2HI) handled safely using the robust, inexpensive, recyclable, and redox-innocent metal-organic framework (MOF) Al-fum. Our method delivers streamlined access to fluoroalkylated products and enables the first electroreductive olefin difunctionalization method for installing the medicinally important CF₂H group. All reactions proceed with broad functional group tolerance (including for other alkyl halides) and are suitable for follow-on diversification. Together, our findings expand the scope of electroreductive fluoroalkylation chemistry and establish gas-MOF reagents as powerful tools for electroorganic synthesis. Olefin fiber ; Reagent ; Alkyl ; Limiting ; Electrochemistry ; Iodide ; Halogenation Radical Photochemical Reactions ; Fluorine in Organic Chemistry ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Jamie M. Walsh | Marco Galzignato | Shusuke Hattori | Marylise Triacca | Kevin Lam
Source: Chemical Science (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

eCyclopropanation – a safe and scalable electrochemical route to cyclopropanes Diazo compounds are among the most versatile intermediates in organic synthesis, enabling high-value transformations such as cyclopropanation, X-H insertion, and heterocycle formation. However, their intrinsic instability and hazardous nature have severely restricted their practical use, particularly at scale, largely due to the need to generate, isolate, or accumulate diazo species in solution. Here, we report a safe, one-pot, scalable, and operationally simple electrochemical strategy for the <i>in situ</i> generation of diazo compounds from <i>tert</i>-butylhydrazones, directly coupled to Rh(ii)-catalysed cyclopropanation. In contrast to established approaches, the diazo intermediates in this platform are generated and consumed continuously, with no detectable accumulation at any stage of the process. This transient mode of operation fundamentally alters the safety profile of diazo chemistry, enabling electricity-driven oxidation under mild conditions without hazardous oxidants, isolated diazo compounds, or highly toxic additives. The use of a bench-stable mono-protected hydrazone precursor and a weakly nucleophilic electrolyte ensures efficient carbene transfer, delivering cyclopropanes in high yields across a broad range of hydrazones and olefins. The method readily translates to continuous flow, enabling gram-scale synthesis with good productivity. By preventing the accumulation of free diazo species in solution, this work removes a key barrier to the safe and scalable use of diazo chemistry and provides a general blueprint for modern carbene-transfer processes that are inherently safer, more sustainable, and industrially relevant. Diazo ; Hydrazone ; Nucleophile ; Carbene ; Electrochemistry ; Wolff rearrangement ; Electrolyte Cyclopropane Reaction Mechanisms ; Radical Photochemical Reactions ; Synthesis and Reactivity of Heterocycles
Authors: Anirban Das | Ushasi Pramanik | Elise M. Brown | Chih-Yun Liu | Huan Gong | Jonathan Fascetti | Mark Gibson | Samuel Stealey | Silviya P. Zustiak | Cory Berkland | Piyoosh Sharma | Meredith E. Jackrel | Mark A. White | Jai S. Rudra
Source: Advanced Science (article, 2026-01-20)
Field: Materials Science — Biomaterials

Substituent‐Based Modulation of Self‐Assembly and Immunogenicity of Amphipathic Peptides Self-assembled peptide-based biomaterials provide versatile platforms for biomedical uses, featuring customizable physicochemical properties, biocompatibility, and dynamic capabilities. This self-assembly process is primarily dictated by primary sequence features, such as hydrophobicity, length, and charge, leading to the formation of fibrils and hydrogels. Amphipathic peptides, with alternating polar and hydrophobic residues, are especially effective in forming supramolecular nanofibers stabilized by π-π interactions and hydrogen bonds. Chemical modifications on aromatic side chains are promising for controlling assembly morphology, stability, and biological activity. However, the influence of these substituents on peptide packing and immunogenicity remains relatively unexplored. Herein, we examine the effect of substituents on benzyl groups attached to short amphipathic peptides. By introducing different electron-donating and withdrawing groups at the para-position of benzyl rings and modifying the chain length connecting the backbone to the aromatic moiety, we observe notable effects on fibril formation, molecular packing, and immunogenicity both in vitro and in vivo. Our results show that subtle chemical modifications are practical tools for designing tailored peptide nanomaterials with promising potential in vaccine delivery, tissue engineering, and regenerative medicine. Amphiphile ; Immunogenicity ; Peptide ; Supramolecular chemistry ; Fibril ; Side chain ; In vitro ; Nanofiber ; Self-assembly Supramolecular Self-Assembly in Materials ; Polydiacetylene-based materials and applications ; Supramolecular Chemistry and Complexes
Authors: Mohit Agarwal | Ralf Schweins | Franziska Gröhn
Source: Polymers (article, 2026-01-09)
Field: Materials Science — Polymers and Plastics

Light-Induced Structural Evolutions in Electrostatic Nanoassemblies Studying nanoscale self-assembly in real time using external stimuli unlocks new opportunities for dynamic and adaptive materials. While electrostatic self-assembly is well-established, real-time monitoring of its structural evolution under light irradiation remains largely unexploited. In this study, we employ light-responsive azobenzene dyes (Acid Yellow 38, AY38) and pH-sensitive polyamidoamine (PAMAM) dendrimers to investigate the kinetics of electrostatic self-assembly under UV irradiation. Using a custom in situ small-angle neutron scattering (SANS) setup, we track the real-time morphological transformations of self-assembled structures with sub-minute resolution. We introduce two distinct pathways: method A (pre-irradiated <i>cis</i>-AY38 for controlled, slow kinetics) and method B (direct UV-induced self-assembly, fast kinetics). The results reveal that <i>trans-cis</i> isomerization kinetics dictate the rate of self-assembly, influencing aggregate stability, <i>ζ</i>-potential evolution, and final morphology. Structural analysis using dynamic and static light scattering (DLS and SLS) and SANS elucidates a transition from spherical to ellipsoidal morphologies governed by electrostatic and dipole-dipole interactions. These findings establish photoisomerization-driven self-assembly as a robust mechanism for tunable nanoscale architectures, paving the way for adaptive photonic materials, targeted drug delivery, and reconfigurable nanostructures. Azobenzene ; Nanoscopic scale ; Kinetics ; Dynamic light scattering ; Dendrimer ; Photonics ; Neutron scattering ; Isomerization Dendrimers and Hyperbranched Polymers ; Photochromic and Fluorescence Chemistry ; Supramolecular Self-Assembly in Materials
Authors: Arushi Garg | Jordan Vigier | H. Lebel | Tatiana Besset
Source: Angewandte Chemie International Edition (article, 2026-02-10)
Field: Chemistry — Organic Chemistry

Anomeric Amides: Valuable Reagents in Synthetic Organic Chemistry The quest for synthetic tools to achieve molecular complexity is of paramount importance. In recent years, strategies have been developed for the late-stage functionalization of molecules. Anomeric amides have emerged as valuable reagents in this active research area due to their broad range of synthetic applications, and they continue to draw growing interest from the scientific community. This minireview aims to discuss and highlight recent progress in using anomeric amides across a variety of synthetic transformations. Anomer ; Organic synthesis ; Reagent ; Anomeric effect ; Variety (cybernetics) Advanced Synthetic Organic Chemistry ; Chemical Synthesis and Analysis ; Catalytic Cross-Coupling Reactions
Authors: Hayriye Aral | Beşir Dağ
Source: Open Chemistry (article, 2026-01-01)
Field: Chemistry — Spectroscopy

Separation of polar and nonpolar compounds using HILIC/RPLC mixed-mode chromatography: evaluation of separation performance and retention mechanism of the Acclaim Mixed-Mode HILIC-1 column Abstract The Acclaim Mixed-Mode HILIC-1 column, combining hydrophilic interaction (HILIC) and reversed-phase liquid chromatography (RPLC) mechanisms, enables efficient separation of diverse analytes. This study examined its separation performance and mixed-mode retention behavior using both polar (e.g., nucleobases, nucleosides, water-soluble vitamins), and nonpolar compounds (e.g., alkylbenzenes, PAHs, Sudan dyes, substituted phenols, aniline derivatives, plant growth hormones, chlorinated herbicides). Mobile phase composition was tailored to analyte polarity: high acetonitrile for HILIC and high water content for RPLC. Detailed optimization for nucleobase and nucleoside separation was conducted by varying pH, buffer concentration, solvent ratio, temperature, and flow rate under HILIC conditions. Polar analytes showed increased retention with higher acetonitrile, while nonpolar ones retained strongly in aqueous-rich conditions. The column demonstrated excellent selectivity tuning by mobile phase adjustment and provided sharp, symmetrical peaks across all analyte groups. Under optimized conditions, resolution and peak quality were high. Comparative analysis with literature confirmed that this column’s performance is on par with or superior to existing systems. The results affirm the column’s versatility in handling a broad analyte spectrum and elucidate the dual-mode retention mechanism it employs, offering valuable insights for complex mixture analyses. Analyte ; Hydrophilic interaction chromatography ; Selectivity ; Acetonitrile ; Polar ; Resolution (logic) ; Solvent ; Analytical Chemistry (journal) ; Chemical polarity Analytical Chemistry and Chromatography ; Chromatography in Natural Products ; Protein purification and stability
Authors: Shuyi Men | Yin Li | Fanyu Meng | Hao Li | Shi‐Tong Zhang | Bing Yang
Source: Analysis & Sensing (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Hybrid Local and Charge‐Transfer Excited States: Concept and Applications Hybrid local and charge‐transfer (HLCT) excited states emerge from quantum hybridization of localized and charge‐separated configurations, distinct from simple state mixing. This unique architecture synergistically combines high radiative rates and minimized singlet‐triplet energy gaps, overcoming fundamental limitations in organic optoelectronics. This review comprehensively examines transformative HLCT applications: (1) organic light emitting diodes (OLEDs) leveraging “hot‐exciton” mechanisms to achieve &gt;25% exciton utilization efficiency with high EQE; (2) ultrasensitive chemical sensors exploiting stimulus‐driven state dehybridization for nerve agent detection and environmental monitoring; and (3) visible‐light photopolymerization systems utilizing triplet excitons as initiating radicals. Future prospects in electrically pumped lasers and photocatalysis are discussed, highlighting rational molecular design as key to unlocking HLCT's full potential across next‐generation technologies. Excited state ; Exciton ; Diode ; Laser ; Quantum ; State (computer science) ; Energy (signal processing) ; Radiative transfer Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Photochromic and Fluorescence Chemistry
Authors: Ronaldo Bianchini da Silveira | Maria Fernanda Pedro Ebs | Renata Bochanóski | Mateus de Assunção Hofmann | Oscar Rubem Klegues Montedo | Thauan Gomes | Sabrina Arcaro
Source: Journal of Applied Polymer Science (article, 2026-02-09)
Field: Materials Science — Biomaterials

Engineering Electrospun <scp>PCL</scp> / <scp>PEO</scp> Membranes With <scp>ECM</scp> ‐Like Architecture and Tunable Hydrophilicity as Functional Wound Dressings ABSTRACT Skin injuries resulting from trauma, burns, or chronic conditions such as diabetes often require advanced medical interventions, as conventional dressings provide only passive protection with limited exudate absorption and minimal contribution to healing. In this study, electrospun poly(ε‐caprolactone)/poly(ethylene oxide) (PCL/PEO) membranes were engineered to couple extracellular matrix (ECM)‐like architecture with tunable wettability, fluid absorption, and degradation to achieve enhanced wound closure. By adjusting electrospinning parameters, uniform fibers (2.4–7.4 μm) with porosity of 63%–77% and pore sizes of 17–25 μm were obtained. FTIR analysis confirmed the successful blend of PCL and PEO, while wettability, fluid absorption, and membrane degradation increased proportionally with PEO content; the optimized PCL7:1PEO membrane exhibited a contact angle below 60° and fluid uptake of 361%. Biological assays demonstrated preserved cytocompatibility and enhanced fibroblast migration, achieving wound closure of 86.8% ± 14.6% for PCL7:1PEO compared with 68.3% ± 7.7% for pristine PCL and 75.6% ± 3.8% for the control. These findings highlight the potential of PCL/PEO electrospun membranes as functional wound dressings, offering prolonged use, improved fluid management, and a favorable microenvironment for tissue repair, representing a promising alternative to conventional treatments. Membrane ; Electrospinning ; Porosity ; Degradation (telecommunications) ; Wound healing ; Wound dressing ; Absorption (acoustics) ; Extracellular matrix Electrospun Nanofibers in Biomedical Applications ; Wound Healing and Treatments ; Tissue Engineering and Regenerative Medicine
Authors: Farhana Afroze | Tanvir Ahmed | Newaz Mohammed Bahadur | Md Abu Bin Hasan Susan | Saika Ahmed
Source: Dhaka University Journal of Science (article, 2026-01-28)
Field: Materials Science — Materials Chemistry

Surfactant-Directed Modulation of SBA 15: Insights into Surface Area, Porosity, and Morphology Mesoporous silica now-a-days has emerged as a versatile material for nanotechnology and many other applications because of its high surface area and ordered pore architecture. However, careful tuning of synthesis parameters to maximize porosity and surface area is crucial for achieving optimal performance. In this work, SBA 15 type mesoporous silica was synthesized via sol-gel method, using a non-ionic surfactant Pluronic P-123 as the structure-directing template and tetraethyl orthosilicate as the silica precursor. The concentration of surfactant template was systematically varied from 500 to 2500 times its critical micellar concentration (i.e. 0.002 mM). Synthesized SBA 15 samples were then characterized by N2 adsorption-desorption analysis to evaluate the surface area, pore size, and pore volume, Fourier-transform infrared spectroscopy for structural confirmation, and scanning electron microscopy (SEM) and transmission electron microscopy (TEM) for morphological evaluation. SEM and TEM images indicated that increasing P-123 concentration led to a transition toward cylindrical morphologies, more regular particle size, and improved particle yield, while N2 adsorption isotherms revealed larger pore diameters and higher surface areas. The results obtained emphasize the critical role of surfactant concentration for tailoring the structural and textural properties of SBA 15, thereby offering useful suggestions for its application in catalysis, adsorption, and drug delivery. Dhaka Univ. J. Sci. 74(1): 54-61, 2026 (January) Tetraethyl orthosilicate ; Transmission electron microscopy ; Scanning electron microscope ; Mesoporous material ; Mesoporous silica ; Pulmonary surfactant ; Porosity ; Particle (ecology) ; Adsorption Mesoporous Materials and Catalysis ; Aerogels and thermal insulation ; Adsorption, diffusion, and thermodynamic properties of materials
Authors: Nidhi Kaul | Alfy Benny | Vasilis Petropoulos | Michał Maj | G. Cerullo | Margherita Maiuri | Gregory D. Scholes
Source: The Journal of Physical Chemistry A (article, 2026-03-11)
Field: Chemistry — Physical and Theoretical Chemistry

Exploring Excited State Proton Transfer Dynamics upon Ultraviolet Excitation Excited state intramolecular proton transfer (ESIPT) has been investigated in two prototypical systems─salicylaldehyde azine (SAA) and 1,5-dihydroxyanthraquinone (DHAQ)─using transient absorption spectroscopy upon ultraviolet excitation into the less studied higher excited (S<sub><i>n</i></sub>) manifold. Excitation with sub-30 fs pulses and broadband visible probing has allowed for direct measurement of the ESIPT rate. In conjunction with steady-state measurements and TD-DFT calculations, a complete delineation of the ultrafast photophysics has been carried out. In SAA, ESIPT remains ultrafast (∼30 fs), consistent with previous S<sub>1</sub> excitation studies. Coherent vibrational beats maps reveal significant wavelength dependence, however. Theoretical analysis suggests that the observed modes and their intensities in coherent vibrational spectra are modulated by the nature of the electronically excited state. In DHAQ, the first direct observation of ESIPT presents a time-constant of ∼85 fs, and a slower component of 9 ps, akin to previous reports on double-proton transfer systems. Collectively, the results suggest that while the ultrafast ESIPT rate remains largely invariant vis-à-vis the excitation energy, the product yield, as well as accompanying coherent oscillations, may be substantively altered, owing to the existence of alternative decay pathways. Excited state ; Excitation ; Ultrashort pulse ; Spectroscopy ; Ultrafast laser spectroscopy ; Ultraviolet ; Intramolecular force Photochemistry and Electron Transfer Studies ; Spectroscopy and Quantum Chemical Studies ; Metal-Catalyzed Oxygenation Mechanisms
Authors: Giulia Brufani | Antonio Vella | Anastasiia M. Afanasenko | Chao-Jun Li | Luigi Vaccaro
Source: Green Chemistry (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

Process-Optimised Access to Triarylamines through Catalytic Dehydrogenative Aromatisation Despite the growing interest in triarylamines as rapidly advancing materials for optoelectronic and organic photovoltaic applications, their synthesis generally relies on multistep routes and requires functionalization of the starting materials.... Catalysis ; Surface modification ; Amine gas treating ; Photovoltaic system Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods ; Asymmetric Hydrogenation and Catalysis
Authors: E. H. Ismailov | L. Kh. Qasimova | S. N. Osmanova | A. I. Rustamova | L. V. Huseynova | S. A. Mammadkhanova | Sh. F. Tagiyeva
Source: Catalysts (article, 2026-01-13)
Field: Materials Science — Materials Chemistry

Direct Liquid Phase Hydroxylation of Benzene to Phenol over Iron-Containing Mordenite Catalysts: Combined DLS–EPR Study and Thermodynamic–Stability Analysis Direct hydroxylation of benzene to phenol using hydrogen peroxide is a cornerstone of sustainable green chemistry. This paper presents the results of a stability study of an iron-containing mordenite catalyst in the liquid-phase hydroxylation of benzene to phenol with a 30% aqueous hydrogen peroxide solution. The study utilizes a combination of catalytic activity measurements, dynamic light scattering (DLS), and electron paramagnetic resonance (EPR) spectra. The system is initially shown to exhibit high phenol selectivity; however, over time, DLS measurements indicate aggregation of the catalyst particles with an increase in the average particle diameter from 1.8 to 2.6 μm and the formation of byproducts–dihydroxybenzenes. Iron is present predominantly as magnetite nanoparticles (Fe3O4) ~10 nm in diameter, stabilized on the outer surface of mordenite, with minor leaching (&lt;10%) due to the formation of iron ion complexes with ascorbic acid as a result of the latter’s interaction with magnetite particles. Using a thermodynamic approach based on the Ulich formalism (first and second approximations), it is shown that the reaction of benzene hydroxylation H2O2 in the liquid phase is thermodynamically quite favorable (ΔG° = −(289–292) kJ·mol−1 in the range of 293–343 K, K = 1044–1052). It is shown that ascorbic acid acts as a redox mediator (reducing Fe3+ to Fe2+) and a regulator of the catalytic medium activity. The stability of the catalytic system is examined in terms of the Lyapunov criterion: it is shown that the total Gibbs free energy (including the surface contribution) can be considered as a Lyapunov functional describing the evolution of the system toward a steady state. Ultrasonic (US) treatment of the catalytic system is shown to redisperse aggregated particles and restore its activity. It is established that the catalytic activity is due to nanosized Fe3O4 particles, which react with H2O2 to form hydroxyl radicals responsible for the selective hydroxylation of benzene to phenol. Catalysis ; Benzene ; Phenol ; Hydroxylation ; Hydrogen peroxide ; Dissociation (chemistry) ; Ascorbic acid ; Mordenite ; Aqueous solution Catalytic Processes in Materials Science ; Environmental remediation with nanomaterials ; Advanced oxidation water treatment
Authors: Tomohiro Higashino | Y. Nishida | Keiichi Ishida | Shunsuke Kozaka | Yuka Yasuda | H. Kaji | Hiroshi Imahori
Source: Organic Chemistry Frontiers (article, 2026-01-01)
Field: Chemistry — Organic Chemistry

A direct method for phosphorus atom insertion <i>via</i> phosphorous acid for synthesizing P-doped curved polycyclic π-systems A metal-free and direct method for the insertion of phosphorus atoms into π-frameworks using H 3 PO 3 has been developed, providing a simple and straightforward approach to synthesize P-doped curved polycyclic π-systems. Phosphorus ; Phosphorous acid ; Atom (system on chip) ; Simple (philosophy) Organophosphorus compounds synthesis ; Synthesis and Properties of Aromatic Compounds ; Molecular Sensors and Ion Detection