jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Alice Sciortino | Maurizio Marrale | Cesare Gagliardo | Fabrizio Messina | Gennara Cavallaro | Gianpiero Buscarino | M. Cannas | Gaetano Giammona | Nicolò Mauro
Source: Advanced Healthcare Materials (article, 2025-11-10)
Field: Materials Science — Materials Chemistry

Smart Theranostic Nanogels with Swelling‐Driven Contrast for Multimodal Imaging, Sensing, and Photothermal Breast Cancer Ablation Integrating multimodal imaging and therapeutic functions into a single, stimuli-responsive nanoplatform for minimally invasive cancer therapy remains a major obstacle for theranostic nanomedicines. Most existing nanomedicines fail to sense tumor microenvironment (TME) dynamics, including pH fluctuations, through clinically applicable imaging techniques. These limitations reduce their overall translational potential for personalized therapies. To overcome this challenge, a hybrid nanosystem synergistically integrating carbon nanodots (CDs) and superparamagnetic iron oxide nanoparticles (SPIONs) in a hyaluronic acid network with pH-dependent conformational behavior was developed. While SPIONs are chosen as auxiliary crosslinking agents for their magnetic resonance imaging contrast, CDs display great potential as near-infrared converting nanoheaters capable of inducing localized hyperthermia under the guidance of fluorescence imaging, useful in cancer photothermal ablation. The resulting nanoplatforms, named H-NGs, are capable of actively targeting cancerous cells, penetrating complex 3D multicellular tumor-in-a-dish mammospheres which closely mimic the complex structure of breast cancer. H-NGs enable real-time imaging of TME pH and temperature variations as a consequence of particle-particle distance changes due to swelling/shrinking processes, and act as efficient nanoheaters allowing magnetic resonance and fluorescence imaging-guided photothermal ablation of tumors. These findings significantly advance the field of theranostics integrating minimally invasive cancer therapy with real-time monitoring of the TME. Photothermal therapy ; Nanomedicine ; Magnetic resonance imaging ; Nanodot ; Tumor ablation ; Superparamagnetism ; Fluorescence-lifetime imaging microscopy ; Iron oxide nanoparticles ; Cancer Carbon and Quantum Dots Applications ; Nanoplatforms for cancer theranostics ; Nanoparticle-Based Drug Delivery
Authors: Helena Gavilán | Álvaro Gallo‐Córdova | Maura Rábade-Chediak | Amira Páez‐Rodríguez | M. P. Morales | Lucía Gutiérrez
Source: Nanoscale (article, 2025-01-01)
Field: Materials Science — Biomaterials

Magnetic hyperthermia in focus: emerging non-cancer applications of magnetic nanoparticles Magnetic hyperthermia (MH), which leverages the ability of magnetic nanoparticles (MNPs), located in the tumor, to generate heat upon exposure to an alternating magnetic field (AMF), has long been synonymous with cancer therapy. However, recent advancements highlight emerging applications of MH beyond oncology, including neuromodulation, tissue engineering, biosensing, catalysis, and environmental remediation. All these applications intelligently harness the same principle to achieve a wide range of new functionalities in MNPs besides local heating, including drug release, eradication of pathogens, manipulation of cell membranes, mechanical responses for novel non-invasive therapies, boosting chemical reactions, intensifying processes and degrading or desorbing pollutants like CO<sub>2</sub>, just to name a few. This review provides a comprehensive overview of the latest breakthroughs in non-cancer applications of MH. While some fields, ranging from infection control and organ cryopreservation to nanorobotics in biomedicine, require non-toxic biocompatible and biodegradable MNPs (iron oxides) and AMFs restricted to radiofrequencies in the range of 100-300 kHz and an appropriate field intensity (few tens of kA m<sup>-1</sup>) to avoid tissue damage, some other areas, like sustainable catalysis, sensing, <i>etc</i>., open up the possibility of using diverse chemical elements besides iron (<i>e.g.</i>, cobalt, nickel, carbon) mainly in the form of alloys, and AMFs of higher frequencies (well above 300 kHz) and amplitudes (well above 10-20 kA m<sup>-1</sup>). Indeed, engineering of MNPs with suitable catalytically active elements (gold, nickel, ruthenium, palladium, <i>etc</i>.), support materials (silica, aluminium/magnesium oxide, <i>etc</i>.) or surface coating with appropriate (bio)molecules (enzymes, RNA/DNA fragments, <i>etc</i>.) is crucial for each application, as well as considering the effect of local temperature (for instance, achieving the Curie temperature, <i>T</i><sub>c</sub>, of the nanomaterial, provoking the de-swelling of polymers, activating/deactivating enzymes or boosting the efficiency of a catalytic process). Furthermore, this work discusses the current limitations and future directions required to expand the reach of MH. Finally, this review serves as a critical resource for researchers seeking to harness MH beyond cancer treatment and integrate it into novel scientific and technological frontiers. Nanorobotics ; Magnetic nanoparticles ; Magnetic hyperthermia ; Nanoparticle ; Biocompatible material ; Nanobiotechnology ; Magnetic field ; Boosting (machine learning) Nanoparticle-Based Drug Delivery ; Characterization and Applications of Magnetic Nanoparticles ; Ultrasound and Hyperthermia Applications
Authors: Kai Zhu | Hui Li | Yechuan Zhang | Huajun Yang
Source: European Journal of Inorganic Chemistry (article, 2025-05-26)
Field: Chemistry — Inorganic Chemistry

A Solid‐Solution Strategy for One‐Step Construction of Hierarchically Porous Metal–Organic Frameworks The construction of hierarchical porosity in metal–organic frameworks (HP‐MOFs) by expanding the pore size to mesopore or even macropore region is important but still challenging. In this work, a facile solid‐solution strategy is proposed here to increase the pore size, giving rise to hierarchically porous MOFs by one‐step activation. It is found that for a microporous M ‐tpa structural platform, the cupric form collapses after activation, while the nickelous one shows the prototypical microporosity. The solid‐solution Ni 2+ /Cu 2+ form is therefore synthesized and is found to show hierarchical porosity after activation. The ratio of mesopore can be modulated by changing the relative concentration of Ni 2+ to Cu 2+ . The effect of coordinative and noncoordinative solvents on the porosity is also investigated. Finally, it is found that the as‐synthesized HP‐MOFs here are able to adsorb bulky neutral and anionic dyes, while excluding cationic dyes, suggesting that the as‐synthesized HP‐MOFs here are probably cationic. It should be noted that the pristine microporous MOF is not able to adsorb the dye. Chemistry ; Metal-organic framework ; Porosity ; Nanotechnology ; Chemical engineering ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Nanoporous metals and alloys ; Nanomaterials for catalytic reactions
Authors: Petr Štěpnička
Source: Dalton Transactions (review, 2025-12-10)
Field: Chemistry — Inorganic Chemistry

Isocyanide-functionalised phosphines: an uncharted field While numerous functional phosphines have been reported, investigated, and applied to date, phosphines equipped with an additional isocyanide moiety have received only limited attention. This frontier article provides an overview of the chemistry of these compounds, which has not yet been comprehensively reviewed. In particular, different types of phosphinoisocyanides (<i>viz</i>., isocyanide-tethered phosphines as well as compounds featuring the direct P-NC bond) and routes towards them, in addition to the reactivity, coordination behaviour, and transformations of these molecules in both their native and coordinated forms, are discussed. In particular, this overview focuses on the synthesis, reactivity, and coordination properties of phosphines bearing the isocyanide moiety at the organic (aliphatic or aromatic) or organometallic (ferrocene) scaffold. Also discussed is the chemistry of isocyanophosphines of the R<sub>2</sub>PNC type that arise, in metal-coordinated form (as C-donors), <i>via</i> reactions between cyano complexes and chlorophosphines. All these compounds have remarkable synthetic potential that mainly stems from the specific reactivity of isocyanides, which readily undergo diverse addition and insertion reactions, thereby providing access to, <i>e.g.</i>, complexes with monodentate and P,C-chelate or bridged phosphinoisocyanide ligands and structurally unique carbene complexes. Moiety ; Isocyanide ; Denticity ; Carbene ; Reactivity (psychology) ; Coordination complex Synthesis and characterization of novel inorganic/organometallic compounds ; Phosphorus compounds and reactions ; Catalytic Cross-Coupling Reactions
Authors: Sandra Ardevines | Daniel González‐Pinardo | Israel Fernández | Eugenia Marqués‐López | Raquel P. Herrera
Source: ChemCatChem (article, 2025-10-30)
Field: Chemistry — Organic Chemistry

Exploring the Role of Halogen Bond Donors in the Thiourea‐Catalyzed Friedel–Crafts Alkylation Reaction Abstract Halogen bonding (XB) has recently emerged as a powerful tool in organocatalysis, though asymmetric applications remain scarce. Here we report the first synergistic system combining a chiral thiourea and an inert XB donor. The iodine derivative enhances substrate activation via LP(I)→π*(C = C) interactions. Instead, a strong π–π interaction between the catalysts rules out direct thiourea activation. Applied to asymmetric Friedel–Crafts alkylation, iodoethynyl cocatalysts boost both reactivity and enantioselectivity. DFT calculations rationalize the crucial role of the XB donor, highlighting a new strategy to exploit non‐covalent interactions in asymmetric synthesis. Thiourea ; Reactivity (psychology) ; Catalysis ; Halogen ; Alkylation ; Substrate (aquarium) ; Derivative (finance) ; Inert Coordination Chemistry and Organometallics ; Vanadium and Halogenation Chemistry ; Crystallography and molecular interactions
Authors: Tatsuya Hamashima | Masateru Nishioka | Takeharu Sugiyama | Ken Watanabe | Hajime Hojo | Hisahiro Einaga
Source: Physical Chemistry Chemical Physics (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Understanding the microwave heating properties of La–Ce–Ni oxides based on structural, dielectric, and conductive analysis Microwaves can selectively and rapidly heat materials upon absorption, offering advantages over conventional heating methods. However, practical applications in oxide materials remain limited due to insufficient understanding of fundamental heating mechanisms and inadequate control of heating characteristics. In this study, we elucidated the heating mechanism of La-Ce-Ni oxides to develop oxide materials with excellent microwave heating properties. We comprehensively investigated the crystal structure, microstructure, electrical conductivity, and dielectric properties of La-Ce-Ni oxides with various compositions. In La-Ce-Ni oxides, the strong CeO<sub>2</sub>-LaNiO<sub>3</sub> interaction induced structural distortions and modified dielectric properties, which predominantly contributed the heating properties under a microwave electric field, rather than electrical conductivity. The dielectric properties, rather than the electrical conductivity, were the primary factors determining the microwave heating performance of this system. Microwave ; Microwave heating ; Dielectric ; Electric heating ; Electrical conductor ; Dielectric heating ; Oxide ; Electrically conductive Microwave-Assisted Synthesis and Applications ; Electromagnetic wave absorption materials ; Microwave Dielectric Ceramics Synthesis
Authors: Arman Khosravi | Ming‐Yu Ngai
Source: ChemRxiv (article, 2025-09-15)
Field: Chemistry — Inorganic Chemistry

Cobalt-Catalyzed Alkene Hydrohalogenation via Hydrogen Atom Transfer Alkene hydrohalogenation is a fundamental transformation for the synthesis of organohalides, key intermediates in organic synthesis, pharmaceuticals, and materials science. Traditional ionic methods with hydrogen halides are limited by harsh conditions, poor functional group tolerance, and regioselectivity issues. Recently, cobalt-catalyzed hydrohalogenation via metal-hydride hydrogen atom transfer (MHAT) has emerged as a versatile and radical-based alternative, enabling mild conditions, broad functional group tolerance, and tunable regioselectivity. This mini-review provides a comprehensive overview of the development in cobalt-catalyzed alkene hydrohalogenation via MHAT, with particular emphasis on methodological innovations, substrate scopes, mechanistic principles, and emerging applications. The continued growth of this field is poised to expand the synthetic utility and sustainability of alkene hydrofunctionalization, opening new avenues for programmable C–X bond formation across diverse chemical contexts. Alkene ; Hydrogen atom ; Functional group ; Regioselectivity ; Substrate (aquarium) ; Hydrogen ; Ionic bonding ; Organic synthesis Asymmetric Hydrogenation and Catalysis ; Environmental remediation with nanomaterials ; CO2 Reduction Techniques and Catalysts
Authors: Partha Sarathi Chakraborty | Anthony J. Carlos | Trayder Thomas | Kyle Ghaby | Shaghayegh Fathi | Mukta Sharma | Nam Nguyen | Mason Farmwald | Lydia Blachowicz | Shaopeng Yu | Kavya Smitha Pillai | Benoı̂t Roux | Raymond E. Moellering
Source: bioRxiv (Cold Spring Harbor Laboratory) (preprint, 2025-10-18)
Field: Chemistry — Organic Chemistry

Molecular Dynamics-Guided Design and Chemoproteomic Profiling of Covalent Kinase Activity Probes Covalent small molecule activity probes can be powerful tools to interrogate protein function in native cellular environments. The design of family-wide activity probes requires an understanding of the molecular sources of general targeting potential and specificity to enable broad targeting of protein family members. Here, we developed and applied a multifaceted docking and molecular dynamics (MD) simulation pipeline to design and test cell-permeable covalent kinase activity probes from a set of hinge-binding pharmacophores. This computationally-guided approach yielded a new cell-active probe, K60P, which targets around 114 kinases across distinct kinase classes in live cells. Chemoproteomic profiling of this probe and a clinical candidate sharing the same indazole core, KW-2449, identified kinase and non-kinase target profiles that differ from recombinant protein assay profiles, underscoring the utility of native kinase profiling <i>in situ</i>. Biochemical studies with a model target kinase, ABL1, confirmed covalent labeling of the active site lysine across several kinase probes with distinct kinetics, as well as covalent labeling of key tyrosines <i>in trans</i> between ABL1 monomers. Finally, focused proteomics, kinetic modeling, and molecular dynamics simulations revealed that K60P, as well as the comparator probe XO44, preferentially engage with target kinases in their active, DFG-in conformations, which is driven by increasing population of reaction-ready small molecule conformation. These results together establish a computational and kinetic modeling framework for designing covalent activity probes and highlight the balance of target selectivity and kinetic efficiency as a key factor in determining their proteome-wide reactivity. Small molecule ; Kinase ; Covalent bond ; Recombinant DNA ; Docking (animal) ; Population ; Function (biology) ; Target protein Click Chemistry and Applications ; Computational Drug Discovery Methods ; Advanced Biosensing Techniques and Applications
Authors: Abderrahim Lahlahi | Jaime González Cuadra | Samuel Porcar | Santiago Luis Toca Valero | Diego Fraga Chiva | Germán F. de la Fuente | J. Carda
Source: Journal of the American Ceramic Society (article, 2025-05-22)
Field: Chemistry — Inorganic Chemistry

Ultrafast development of blue pigment for in situ laser digital coloration in the ceramic industry Abstract This study presents a fast and simple method for digital ceramic coloration using inkjet printing, eliminating the need for traditional precalcined pigments. This innovative approach represents a breakthrough in ceramic decoration technology, and introduces a previously unexplored methodology. In this work, CoAl₂O₄ spinel, a pigment commonly used in industrial contexts, is synthesized through laser zone melting (LZM) by applying pulsed laser radiation at 1064 nm. A standardized methodology to optimize pigment quality is developed, based on laser parameters such as pulse width, frequency, speed, power, and line spacing. Scanning electron microscopy (SEM) is used to determine the optimal laser conditions for obtaining a continuous, defect‐free coating, showing that the embedded particles on the surface exhibit a nearly spherical morphology with diameters below 100 nm. The sample with the highest surface quality is further analyzed structurally and optically. X‐ray diffraction (XRD) confirms the presence of a pure spinel phase without secondary phases, along with a vitreous phase due to pigment embedding. Fourier‐transform infrared spectroscopy (FTIR) and Raman spectroscopy reveal the characteristic vibrational bands of a normal spinel structure. The intense blue color is confirmed by strong absorption at 560 nm in ultraviolet–visible (UV–Vis) spectroscopy, as well as b * and Δ b * values of 29 and 1.58, respectively, compared to the traditional pigment. This synthesis approach significantly enhances digital ceramic coloration compared to other methods evaluated in this study, offering a scalable, flexible, and more efficient alternative suitable for industrial‐scale production. Ultrashort pulse ; Ceramic ; In situ ; Materials science ; Laser ; Pigment ; Optics ; Blue light ; Optoelectronics ; Mineralogy ; Nanotechnology ; Chemistry ; Composite material ; Physics Pigment Synthesis and Properties ; Cultural Heritage Materials Analysis
Authors: CI Sathish | Swapnil Deshpande | Mohammed Fawaz | Ajanya M. Ruban | Jiangtao Qu | Rongkun Zheng | Sudip Chakraborty | Jiabao Yi | Ajayan Vinu
Source: Small (article, 2025-11-14)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Microporous Architecture of Boron Carbon Nitride with Anomalous Performance for Supercapacitor and Oxygen Reduction Reaction BCN nanostructures have emerged as exceptional candidates for energy storage and conversion owing to their outstanding stability and electrochemical performance. Introduction of microporous channels within these frameworks offers a direct route to boosting specific surface area and enhancing electrochemical activity. However, achieving uniform microporosity in BCN nanostructures remains a formidable challenge, limiting their full potential in advanced energy applications. Herein, the synthesis of microporous boron carbon nitride (ZBCN) is demonstrated through the simple encapsulation and carbonization of borane ammonia complex and sucrose in the nanochannels of the zeolitic template. ZBCN possesses randomly distributed micropores and a large surface area (1052 m<sup>2</sup> g<sup>-1</sup>). The synthesized ZBCN exhibits an ultra-high specific capacitance of 311 F g<sup>-1</sup> (3-electrode) and 207 F g<sup>-1</sup> (2-electrode) at 0.5 A g<sup>-1</sup> with an excellent rate capability, cyclic stability, and ultrahigh energy density. Also, the electrocatalytic activity of ZBCN shows 5 times the activity than pristine nanoporous carbons at 0.5 A g<sup>-1</sup> in an alkaline medium. The structural, electronic, and catalytic properties derived through DFT calculations suggest that the B and N synergy in ZBCN created a balanced electronic environment that optimizes intermediate adsorption energies and minimizes energy barriers. The unusual electrocatalytic activity and the energy storage arise from the improved electrical contact, micropore active catalytic sites, and the synergetic effects between the boron and nitrogen on the graphenic domains. This excellent electrochemical performance and catalytic behavior anticipate the importance of designing micropore nanostructures with the potential for charge storage and ORR. Supercapacitor ; Microporous material ; Carbonization ; Catalysis ; Electrochemistry ; Graphene ; Ammonia borane ; Boron nitride ; Specific surface area Supercapacitor Materials and Fabrication ; Electrocatalysts for Energy Conversion ; Boron and Carbon Nanomaterials Research
Authors: Odiljonovich Muhiddin Atajonov
Source: Electrical Engineering and Energy (ELENE) (article, 2025-11-28)
Field: Materials Science — Materials Chemistry

Development of Photovoltaic Devices Based on Fullerene–Graphene Hybrids The development of next-generation photovoltaic devices requires the integration of advanced nanomaterials with superior electrical, optical, and mechanical properties. Among such materials, fullerenes (C₆₀ and their derivatives such as PCBM) and graphene have attracted significant attention due to their complementary functionalities. Fullerenes act as efficient electron acceptors, facilitating charge separation in donor–acceptor systems. While graphene provides excellent electrical conductivity, high optical transparency, and mechanical flexibility, making it a promising alternative to conventional transparent electrodes such as indium tin oxide (ITO). This paper reviews recent progress in the design and fabrication of fullerene–graphene hybrid photovoltaic devices. The typical device structure includes a flexible or rigid substrate, a graphene transparent electrode, a polymer–fullerene active layer, selective charge transport layers, and a metallic back contact. Experimental studies demonstrate that hybridization of fullerenes with graphene improves charge transport pathways, reduces series resistance, and enhances power conversion efficiency (PCE). Furthermore, fullerene–graphene composites contribute to device stability under prolonged illumination and thermal stress. Overall, fullerene–graphene hybrid materials represent a promising strategy for the development of high-efficiency, cost-effective, and flexible solar cells. Their potential applications extend beyond traditional photovoltaics to include portable energy sources, building-integrated photovoltaics, and wearable electronic devices, contributing to the broader goal of sustainable energy technologies. Graphene ; Photovoltaic system ; Photovoltaics ; Energy conversion efficiency ; Fullerene ; Fabrication ; Organic solar cell ; Indium tin oxide Graphene research and applications ; Fullerene Chemistry and Applications ; Organic Electronics and Photovoltaics