jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yi‐Hua Lee | C. -M. Hsu | Shinje Miñoza | Ya‐Fang Shih | Yu‐Chun Ding | Tzu‐Yao Hsu | Song‐Ting Chen | Kuei‐Chen Chang | Wen‐Hsuan Lee | Yuya A. Lin | Hsuan‐Hung Liao
Source: Angewandte Chemie International Edition (article, 2026-01-05)
Field: Chemistry — Organic Chemistry

Strain‐Release Diversification of 1‐Azabicyclobutanes via Bromide/Nickel Relay Catalyzed 1,3‐ <i>Bis</i> ‐Carbofunctionalization Despite the high demands for azetidines as privileged motifs in medicinal chemistry, efficient synthesis platforms that enable the rapid preparation of diversely decorated azetidines remain limited. Although the bis-functionalization of highly strained 1-azabicyclobutane (ABB) has been one of the most viable, modular, and versatile methods for the synthesis of structurally diverse azetidines, the catalytic installation of aliphatic pendants to ABB remains underexplored. In this work, we report the multicomponent synthesis of the elusive all-carbon quaternary azetidines from ABBs through the radical addition of azetidines to various α,β-unsaturated esters, amides, ketones, a 1,3-enyne, and a vinylphosphonate ester. The reaction is facilitated by a bromide/nickel dual-catalyzed polar-radical relay strategy, enabling the radical difunctionalization of α,β-unsaturated carbonyl compounds via sequential ring-strain-release azetidinylation and Suzuki-type arylation or alkenylation. Variation in the individual components enabled the synthesis of >60 azetidine derivatives, including modifications of selected biorelevant molecules. The functional group interconversion of representative azetidine derivatives illustrates the method's potential to produce unprecedented spirocyclic azetidine hybrids, which may be useful for exploring uncharted areas of chemical space in drug design. Additionally, a diastereoselective synthesis using Evans' oxazolidinone enabled the preparation of an enantiopure azetidine, potentially useful as a platform for library preparation of stereochemically diverse azetidines. Azetidine ; Enantiopure drug ; Catalysis ; Chemical space ; Chemical synthesis ; Relay Synthesis and Catalytic Reactions ; Radical Photochemical Reactions ; Catalytic C–H Functionalization Methods
Authors: Mi Gyoung Lee
Source: Catalysts (article, 2026-03-05)
Field: Materials Science — Materials Chemistry

Case Studies on System-Level Control in Electrodeposition for Photoelectrodes Synthesis Photoelectrochemical (PEC) water splitting offers a sustainable route for solar-to-hydrogen conversion, yet its large-scale deployment is often hindered by energy-intensive and costly fabrication processes for semiconductor photoelectrodes. Electrodeposition provides an attractive alternative owing to its solution-based, low-temperature, and scalable nature; however, the relationship between electrochemical deposition parameters and photoelectrode functionality remains insufficiently understood. Herein, we systematically investigate system-level control in electrodeposition for photoelectrode synthesis using BiVO4 photoanodes and CuO/Cu2O photocathodes as model systems. By modulating deposition potential, current density, and electrical control modes, we elucidate how interfacial ion dynamics and growth kinetics govern film morphology, phase evolution, and PEC performance. DC electrodeposition establishes a baseline structure–performance relationship governed by precursor concentration and current density, while pulsed operation enables decoupling of nucleation and growth, leading to refined nanostructures and enhanced photocurrent responses. Further incorporation of reverse-pulsed potentials provides dynamic interfacial reset, enabling precise control over porosity and grain connectivity. The optimized BiVO4 photoanodes fabricated under tailored reverse-pulsed conditions exhibit improved photocurrent density compared to continuously deposited counterparts. The insights presented here provide practical guidelines for rationally engineering high-performance, scalable, and environmentally benign photoelectrodes for PEC water splitting. Photocurrent ; Fabrication ; Water splitting ; Nucleation ; Deposition (geology) ; Nanostructure ; Porosity ; Electrochemistry ; Decoupling (probability) Copper-based nanomaterials and applications ; Advanced Photocatalysis Techniques ; Iron oxide chemistry and applications
Authors: Muhammad Ibrahim | Afifa Yousuf | Muhammad Zahid Qureshi | Muhammad Imran Arshad | Muhammad Abdullah Ali
Source: Scientific Reports (article, 2026-03-27)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Disentangling solvent effects on optical response via p-π and sp² lone-pair contributions in non-aromatic fused systems In this study, we disentangle solvent effects on optical responses in non-aromatic fused systems via p-π and sp² lone pair contributions. Donor-π-acceptor (D-π-A) molecules based on 5,7,9,14,16,18-hexahydroheptacene (6 H-Hep) were designed across three chalcogen series: oxygen (R1, IM1-IM3), sulfur (R2, IM4-IM6), and selenium (R3, IM7-IM9). DFT and TD-DFT studies on D3-B3LYP/6–31 + G(d) level of theory were used to explore electronic structure, absorption, and nonlinear optical (NLO) properties. HOMO-LUMO gaps ranged from 4.23 to 1.95 eV, with IM3 showing the smallest gap and strongest intramolecular charge transfer (ICT) due to enhanced p-π conjugation and sp2 lone pair donation. Absorption maxima spanned 307–394 nm (π→π*), with IM6 red-shifted to 394 nm from solvent-polarity-amplified lone pair effects. First hyperpolarizability (βx) increased dramatically from negligible values (< 0.02 a.u.) in parent compounds to 46.75 × 10⁶ a.u. for IM3 in water, far exceeding benchmarks. Solvent-dependent studies (water, benzene, ethanol) confirmed βx dominates total hyperpolarizability, underscoring solvent polarity’s critical role in modulating p-π/lone pair-driven NLO responses. NICS(1)zz values and electrostatic potential mapping verified enhanced polarization in oxygen derivatives, while π-π stacking in IM3 stabilized charge delocalization. Radiative lifetimes (τr = 18–47 ns) support efficient optical activity. Collectively, IM3, IM6, and IM9 emerge as top candidates, with IM3 showing exceptional NLO performance. This work establishes heteroatom substitution, solvent-tuned electronic contributions, and donor-acceptor modulation as effective strategies for advanced electro-optical materials. Solvent effects ; Solvent ; Molecular conformation Nonlinear Optical Materials Research ; Synthesis and Properties of Aromatic Compounds ; Luminescence and Fluorescent Materials
Authors: Sophie Laurent
Source: International Journal of Materials Science (article, 2026-01-01)
Field: Materials Science — Polymers and Plastics

Advances in Polymer-Based Materials for Sustainable and Flexible Technologies Polymer-based materials have emerged as a cornerstone of modern sustainable and flexible technologies due to their lightweight nature, tunable properties, and adaptability across diverse applications. Recent advances in polymer chemistry, processing techniques, and composite design have significantly expanded the functional scope of these materials, enabling their use in flexible electronics, renewable energy devices, biomedical systems, and environmentally responsible packaging solutions. Sustainable polymers derived from bio-based feedstocks and recyclable systems are increasingly replacing conventional petroleum-based materials, addressing critical environmental concerns such as resource depletion and plastic waste accumulation. Concurrently, innovations in conductive, self-healing, and stimuli-responsive polymers have accelerated the development of flexible and wearable technologies that demand mechanical robustness alongside functional performance. Despite these advancements, challenges remain in balancing sustainability, durability, cost-effectiveness, and large-scale manufacturability. The integration of nanofillers, hybrid architectures, and advanced fabrication methods such as additive manufacturing has shown promise in overcoming performance limitations while maintaining environmental compatibility. This article provides a focused overview of recent progress in polymer-based materials tailored for sustainable and flexible technologies, highlighting key material classes, design strategies, and application domains. Emphasis is placed on understanding structure-property relationships that govern mechanical flexibility, electrical functionality, and environmental performance. By synthesizing current research trends, this review aims to elucidate how polymer science is shaping next-generation technologies that align with global sustainability goals. The insights presented are intended to support researchers and engineers in developing innovative polymer systems that combine flexibility with reduced ecological impact, thereby contributing to the transition toward more resilient and sustainable technological infrastructures across industrial and societal sectors. Flexibility (engineering) ; Adaptability ; Sustainability ; Scope (computer science) ; Emerging technologies ; Resource efficiency ; Sustainable development ; Material efficiency ; Renewable energy Polymer composites and self-healing ; Advanced Sensor and Energy Harvesting Materials ; Polymer crystallization and properties
Authors: Shervin Foroughi | Mohsen Habibi | Muthukumaran Packirisamy
Source: Microsystems & Nanoengineering (article, 2026-01-08)
Field: Materials Science — Materials Chemistry

Proximal sound printing: direct 3D printing of microstructures on polymers Proximal Sound Printing (PSP) is a new class of additive manufacturing (AM) processes where on-demand polymerization occurs through ultrasound waves interacting with printing material right at the proximity of the acoustic aperture by inducing cavitation. Despite recent developments in sound-based AM techniques, inherent practical limitations still remain, such as low resolution and repeatability, as well as the inability to print multi-material structures. PSP overcomes these limitations, enhancing resolution tenfold, reducing printing power fourfold, and decreasing maximum acoustic streaming velocity 1600 times compared to common sound-based printing methods, enhancing repeatability and resolution. PSP offers greater versatility than existing methods in modulating feature size through printing aperture tuning. This capability is particularly valuable for fabricating microsystems, where high-resolution patterning and material integrity are essential. Furthermore, PSP enables the direct printing of heat-curing materials such as polydimethylsiloxane (PDMS), a widely used thermoset in microfluidics and soft lithography, without altering its native formulation. The PSP process is explored through sonochemiluminescence experiments and high-speed imaging and demonstrated by the successful printing of multi-material composite structures and functional microfluidic devices. Overall, PSP establishes a practical, high-resolution approach for sound-driven additive manufacturing. Polydimethylsiloxane ; 3D printing ; Microfluidics ; Soft lithography ; Thermosetting polymer ; Aperture (computer memory) ; Polymer ; Fused deposition modeling ; PDMS stamp Ultrasound and Cavitation Phenomena ; Microfluidic and Bio-sensing Technologies ; Ultrasound and Hyperthermia Applications
Authors: Roberta Cillari | Alice Sciortino | Radian Popescu | Riccardo Rubino | Yolita M. Eggeler | M. Cannas | Fabrizio Messina | Gennara Cavallaro | Nicolò Mauro
Source: Repository KITopen (Karlsruhe Institute of Technology) (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

Glycosylated β-C₃N₄ carbon nanodots for warburg effect-driven photothermal therapy of tumors Photothermal therapy ; Nanodot ; Cancer cell ; Cancer ; Rational design ; Cancer therapy ; Nanomaterials ; Cancer treatment Carbon and Quantum Dots Applications ; Nanoplatforms for cancer theranostics ; Graphene and Nanomaterials Applications
Authors: F Valdebenito | CP Quezada | D Parra | Valentina Rivera Concha | Elizabeth Elgueta | Rodrigo Cáceres | R Cabezas | C Farkas | M. PEREIRA | L Azocar | Giovanni Ponce
Source: Preprints.org (preprint, 2026-03-06)
Field: Materials Science — Biomaterials

Antimicrobial Effect of Cellulose Nanofibrils (CNFs) and Biobased Additives in Polyvinyl Alcohol Nanocomposite Materials for Sustainable Food Packaging Application This study evaluates the antimicrobial properties of nanocomposite materials based on polyvinyl alcohol (PVA) reinforced with cellulose nanofibrils (CNFs) and/or supplement-ed with biobased additives derived from blueberry pruning wastes, with the objective of developing biodegradable food packaging systems with antimicrobial properties. The nanocomposites were prepared using a solvent-casting processing approach, and their thermal, physicochemical, and antimicrobial properties were assessed. All the nanocomposites exhibited thermal stability up to 200 °C, confirming their suitabil-ity for conventional food packaging processing conditions. Antimicrobial activity tests re-vealed inhibitory effects against both Gram-positive and Gram-negative bacteria. Bleached PVA/CNFs films showed complete growth inhibition (100%) against E. coli and S. aureus. In contrast, unbleached PVA/CNFs and PVA/CNFsB supplemented with blueber-ry-derived additives exhibited selective inhibition against E. coli, highlighting the influ-ence of nanofibril composition and additive incorporation on antimicrobial performance. Zeta potential measurements revealed values of –35.3 mV for the CNFs, confirming their negatively charged surface, which may contribute to interactions with bacterial mem-branes. Additionally, scanning electron microscopy (SEM) showed that the incorporation of CNFs generates nanostructured surfaces with exposed fibrillar domains, where bacteri-al cells become adhered and immobilized. These topographical features suggest that the antimicrobial behavior of the nanocomposites is associated with direct bacteria–surface interactions, supporting a contact-active antimicrobial behavior associated with the CNFs. Antimicrobial ; Nanocomposite ; Food packaging ; Polyvinyl alcohol ; Cellulose ; Active packaging ; Thermal stability ; Nanocellulose Advanced Cellulose Research Studies ; Nanocomposite Films for Food Packaging ; Antimicrobial agents and applications
Authors: Giacomo Provinciali | Manuel Serrano-Ruiz | Jonathan Filippi | Beatrice Muzzi | Martina Banchelli | Carlo Calcatelli | Alberto Verdini | Stefano Caporali | francesco dacapito | Maurizio Peruzzini | Maria Caporali
Source: Nanoscale (article, 2026-01-01)
Field: Materials Science — Materials Chemistry

2D black phosphorus as a phosphide source for the formation of mixed cobalt phosphide clusters active in photocatalytic hydrogen evolution The use of solar energy to produce valuable feedstocks and energy vectors, such as hydrogen, is a fascinating research field of utmost practical importance. Herein, we report a facile strategy to functionalize 2D black phosphorus nanosheets (BPNS) with mixed cobalt phosphide clusters of different stoichiometry, Co<sub>2</sub>P and CoP, with sub-nanometric sizes. The in-depth study at the atomic level by X-ray absorption spectroscopy and electron microscopy confirmed the nature and structure of the phosphides and revealed that Co<sub>2</sub>P/CoP functionalization effectively hindered the spontaneous degradation of BP under ambient conditions. Under simulated solar-light irradiation, the hydrogen evolution rate of BP@Co<sub><i>x</i></sub>P integrated with TiO<sub>2</sub> reached 5.3 mmol g<sup>-1</sup> h<sup>-1</sup>, almost 30-fold higher than that of TiO<sub>2</sub>. Electrochemical and photoluminescence investigations elucidated the electronic properties of the photocatalyst, showing that the mixed Co<sub><i>x</i></sub>P phases led to increased charge density across the heterostructure, a lower conduction band energy, which infers more reducing power, and the generation of multiple interfaces, which increase charge transfer and reduce electron-hole recombination. Phosphide ; Black phosphorus ; Cobalt ; Photocatalysis ; Phosphorus ; Hydrogen ; Solar energy ; Hydrogen fuel 2D Materials and Applications ; Inorganic Chemistry and Materials ; Synthesis and characterization of novel inorganic/organometallic compounds
Authors: Syamasrit Dash | Mickaël Ménand | Stéphane Le Gac
Source: ChemistryEurope (article, 2026-02-01)
Field: Chemistry — Organic Chemistry

Time‐Programable Chiroptical Response From a Möbius Totemic Architecture Information handling at the molecular level can be achieved by appropriate control of the chiroptical response of a chromophore. In this context, a dynamic Möbius aromatic π‐system, embedded in a 3‐type chirality totem edifice, has been investigated, targeting a time‐dependant protonation control of its stereoselective winding. The mono‐protonation of the so‐called hexaphyrin‐cyclodextrin hybrid (HCD) was therefore carried out with either stable (e.g. methanesulfonic acid) or unstable (trichloroacetic acid [TCA]) acids producing a drastic increase of the chiroptical activity resulting from a favored M ‐twist ( d.e. ∼75%). Using TCA, the mono‐protonation becomes a transient state, turning the static chiroptical response into a dynamic one whose time domain varies from minutes to hours, depending on the solvent composition or the amount of acid. More importantly, the way‐back process (back deprotonation), that relies on the decomposition of the Cl 3 CCO 2 – counter‐anion, was significantly accelerated by exchange with Cl – . As a result, addition and trapping of Cl – anion allows to switch between a dissipative and a static chiroptical response of the TCA induced mono‐protonated species. This remarkable temporal control over a chiroptical signal paves the way for the design of Möbius‐type devices for molecular encoding and signaling. Protonation ; Chirality (physics) ; Solvent ; Decomposition ; Circular dichroism ; Degradation (telecommunications) ; Rectification ; Methanesulfonic acid Synthesis and Properties of Aromatic Compounds ; Axial and Atropisomeric Chirality Synthesis ; Supramolecular Chemistry and Complexes
Authors: Qian He | Liyun Zhang
Source: Discover Nano (article, 2026-04-02)
Field: Materials Science — Materials Chemistry

A comprehensive review of carbon dots for antimicrobial therapy: from design mechanisms to theranostic applications As an emerging carbon-based nanomaterial, carbon dots (CDs) exhibit broad prospects in antimicrobial therapy owing to their unique physicochemical properties, excellent biocompatibility, and tunable multifunctional characteristics. This review systematically summarizes recent advances in the research on CDs in the antimicrobial field, including innovative construction strategies, mechanisms of action, theranostic applications, and safety evaluation. Regarding construction strategies, it highlights the design principles and antimicrobial properties of bio-derived CDs, drug molecule-directed CDs, charge-engineered CDs, metal-synergistic catalytic CDs, and amino acid-functionalized CDs. For mechanisms of action, it elaborates on the multi-target antimicrobial modes of CDs, such as physical disruption, oxidative stress induction, and metabolic interference. In terms of theranostic applications, it summarizes the innovative uses of CDs in photodynamic therapy, photothermal-photodynamic synergistic therapy, and tissue repair. Finally, it delves into safety concerns including the impacts of CDs on intestinal health, risks of metal doping, and environmental degradation behaviors. This review aims to provide theoretical guidance for the development of highly effective and safe antimicrobial CDs, while prospecting the challenges and opportunities in their clinical translation. Antimicrobial ; Drug ; Clinical Practice ; Broad spectrum ; Carbon fibers Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics
Authors: Carlos Enrique Poma Cargua | N.M. Rosas-Laverde | Arturo Barjola | Enrique Giménez | Alina Prună
Source: Materials (article, 2026-02-06)
Field: Chemistry — Spectroscopy

Effect of Mixed Reduction Approach on the Oil Absorption Capacity of Graphene Oxide Aerogels This study evaluates the impact of a comprehensive design integrating precursor type, reduction and freeze-casting on the development of aerogels with high sorption capacity for engine oil. In this respect, the graphene oxide was varied from commercial to expanded; the reduction approach relied either on purely hydrothermal or combined hydrothermal-chemical reduction approaches. Following the synthesis, freeze-casting was applied at -5 °C and -196 °C. To further improve the reduction degree, annealing in an inert atmosphere was employed upon drying. The effects of precursors, reduction approach, freeze-casting and annealing were systematically investigated. Characterization techniques, including FT-IR, Raman spectroscopy, SEM, and EDS, were used to correlate the degree of reduction and morphological features of the porous structure with the absorption properties. The use of expanded GO as a precursor yielded aerogels with more homogeneous three-dimensional networks, a reduced bulk density of 3 mg cm<sup>-3</sup>, and lower oxygen-containing functional group content, thereby achieving consistently superior oil absorption of 270 g g<sup>-1</sup>, with an oil occupancy of 94%. The process was found to fit well with the pseudo-first-order kinetic model. The results demonstrate that a comprehensive approach-considering combined reduction, freeze-casting, and thermal annealing-enables the tailored optimization of both the structure and absorption performance of GO aerogels for the remediation of oil spills. Graphene ; Sorption ; Oxide ; Annealing (glass) ; Aerogel ; Absorption (acoustics) ; Porosity ; Absorption capacity ; Raman spectroscopy Aerogels and thermal insulation ; Surface Modification and Superhydrophobicity ; Solar-Powered Water Purification Methods
Authors: Victor V. Fedotov | Semen V. Aminov | Dmitry S. Kopchuk | E. A. Kudryashova | Yulia M. Sayfutdinova | Timofey D. Moseev | Михаил В. Вараксин | Anton N. Tsmokalyuk | G. V. Zyryanov | В. Л. Русинов
Source: Chimica Techno Acta (article, 2026-02-19)
Field: Materials Science — Materials Chemistry

Sodium Salts of 6-Hydroxy-Azolo[1,5-a]pyrimidine-5-Сarbonitriles as Red-Emissive Fluorescent Chemosensors for Picric Acid This paper deals with the synthesis and a comprehensive study of the photophysical and sensing properties of sodium salts of 6-hydroxy-azolo[1,5-a]pyrimidine-5-carbonitriles. The target compounds were obtained in good to high yields (81–95%) via the reaction of the corresponding 6-hydroxy-azolopyrimidines with sodium hydroxide in an aqueous ethanol. Study of the optical characteristics revealed that the synthesized compounds could be considered as red fluorophores exhibiting an intense fluorescence with emission maxima in the range of 567–597 nm with up to 55% PLQYs. The sensing properties of the obtained fluorophores were examined towards a series of nitroaromatic compounds (NACs), namely picric acid (PA), 2,4-dinitrotoluene, and 2,4,6-trinitrotoluene. The compounds exhibited a pronounced and selective fluorescence response to PA in DMSO solution, whereas no sensory effect was observed in the presence of 2,4-dinitrotoluene or 2,4,6-trinitrotoluene. As a result, a well-pronounced and selective fluorescence “turn-off” response towards PA in DMSO solution was observed with Stern-Volmer constant values of up to 5.77 × 106 М-1, whereas no sensory effect was observed for 2,4-dinitrotoluene (DNT) or 2,4,6-trinitrotoluene (TNT). Furthermore, the reversibility of the fluorescence response to acidic analytes was demonstrated using trifluoroacetic acid as a model compound. Picric acid ; Fluorescence ; Aqueous solution ; Trifluoroacetic acid ; Sodium hydroxide ; Sodium Luminescence and Fluorescent Materials ; Molecular Sensors and Ion Detection ; Analytical Chemistry and Sensors