jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Marta López‐Corrales | Vicente Marchán
Source: Molecules (article, 2025-05-14)
Field: Materials Science — Materials Chemistry

New Visible-Light-Sensitive Dicyanocoumarin- and COUPY-Based Caging Groups with Improved Photolytic Efficiency Photolabile protecting groups (PPGs), also known as caging groups, are valuable tools in photopharmacology. They enable precise control over the release of bioactive compounds from the corresponding caged compounds at a precisely controlled time and place using light of specific wavelengths. This study introduces a novel approach to fine-tuning the photophysical and photochemical properties of visible-light-sensitive dicyanocoumarin- and COUPY-based caging groups by incorporating a phenyl group in a position adjacent to the photolabile bond. Our photoactivation studies with visible light demonstrated that this structural modification slightly improved the photolytic efficiency of both dicyanocoumarin- and COUPY-caged model compounds compared to their methyl-substituted or unsubstituted counterparts. Furthermore, COUPY PPGs were efficiently photoactivated with red light (620 nm) and successfully used to cage two antitumor drugs, chlorambucil and 4-phenylbutyric acid. These findings highlight the potential of phenyl-containing caging groups based on dicyanocoumarin and COUPY scaffolds as versatile platforms for developing new light-activated tools for photopharmacology applications. Visible spectrum ; Chemistry ; Photochemistry ; Combinatorial chemistry ; Blue light ; Chlorambucil ; Materials science ; Optoelectronics ; Biology Photochromic and Fluorescence Chemistry ; Luminescence and Fluorescent Materials ; Polydiacetylene-based materials and applications
Authors: Zhili Zhang | Fuyu Zhang | Keyang Zhao | Pengfei Mo | Wenbin Huang | Xiao-Hong Zhou | Yanyan Huang | Zhongwei Yu
Source: Optical Materials (article, 2025-04-09)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Digitalized light driven photo-responsive liquid crystals for high resolution and full gamut passive displaying Gamut ; Optics ; Materials science ; Resolution (logic) ; Computer graphics (images) ; Optoelectronics ; Computer science ; Physics ; Artificial intelligence Liquid Crystal Research Advancements ; Advanced Optical Imaging Technologies ; Photonic Crystals and Applications
Authors: Wojciech Szmyt | Jacqueline Geler-Kremer | Christof Vockenhuber | Arnold Müller | Timo Schumann | P. Hoffmann
Source: Materialia (article, 2025-07-17)
Field: Materials Science — Materials Chemistry

High-quality epitaxial BaTiO3 films grown by high-vacuum chemical vapor deposition for integrated electro-optical devices Synthesizing high-quality epitaxial BaTiO 3 (BTO) by means of high-vacuum chemical vapor deposition (HV-CVD) requires a precise control over precursor fluxes impinging onto the heated substrate surface so that the incorporation rates of all elements correspond to the BTO film stoichiometry. Moreover, overall precursor flux magnitude strongly influences the morphology of the film grown at a given substrate temperature. HV-CVD in a combinatorial mode allows to explore a wide range of fluxes over the substrate surface in a single synthesis, saving a lot of time on process optimization. Owing to the high vacuum during synthesis, the precursor trajectories are ballistic, thus the fluxes at the location on the substrate of the best film quality are analytically evaluated. The optimized conditions are transferred into a uniform deposition mode on SrTiO 3 -buffered substrate for epitaxial compatibility and further fine-tuned for the improved film quality. The obtained films are characterized by SEM, EDX, XRD, AFM, ellipsometry and RBS/HI-ERDA elemental analysis. The characterization confirms that the films are stoichiometric and pure, highly oriented (XRD rocking curve FHWM <1°), near-atomically smooth, and of minimal porosity (∼1–3 % void content). The results indicate that BTO films of excellent quality are achievable using this highly scalable and competitively cost-effective technique. Materials science ; Epitaxy ; Chemical vapor deposition ; Optoelectronics ; Quality (philosophy) ; Combustion chemical vapor deposition ; Deposition (geology) ; Engineering physics ; Thin film ; Nanotechnology ; Carbon film Ferroelectric and Piezoelectric Materials ; Semiconductor materials and devices ; Photonic and Optical Devices
Authors: Fabian H. Sobotta | Bas G. P. van Ravensteijn | Ilja K. Voets
Source: ACS Macro Letters (article, 2025-08-22)
Field: Chemistry — Organic Chemistry

Sequence-Controlled Neutral-Ionic Multiblock-Like Copolymers through Switchable PIESA in a One-Pot Approach Control over the composition and sequence of synthetic copolymers represents one of the most challenging targets in modern polymer science, in particular, for the labor- and time-consuming preparation of copolymers bearing ionic moieties. Though so far primarily focused on the assembly of coacervate nanostructures, we leverage polymerization-induced electrostatic self-assembly (PIESA) to achieve control over the composition and sequence of neutral-ionic copolymers and create complex chain topologies from equimolar mixtures of neutral and ionic monomers in a direct, one-pot process in aqueous solution. We are making use of the selective recruitment of charged over neutral monomers on an oppositely charged template to modulate monomer reactivities <i>in situ</i> during a controlled radical polymerization by creating segregated reaction environments. Varying the charge density of the template simply through cycling between acidic and alkaline pH drives the preferential incorporation of ionic over charge-neutral monomers by switching the template ON and OFF. Fine-tuning the length and order of the switching cycles enables the on-demand programming of specific block sequences and compositions, and even unique, alternating multiblock-like structures become accessible in a straightforward, one-pot process. Our results demonstrate a novel concept in taking advantage of the selectivity and reversibility of supramolecular compartmentalization of (charged) macromolecular building blocks to control and modulate monomer reactivities and chain topologies. Monomer ; Copolymer ; Ionic bonding ; Polymerization ; Materials science ; Polymer ; Ionic liquid ; Template ; Polyelectrolyte ; Ionic strength ; Polymer chemistry ; Aqueous solution ; Combinatorial chemistry ; Chemical engineering ; Chemistry ; Nanotechnology ; Organic chemistry ; Ion ; Catalysis Advanced Polymer Synthesis and Characterization ; Microfluidic and Capillary Electrophoresis Applications ; Polymer Surface Interaction Studies
Authors: Giuseppe Nunziata | Emanuele Limiti | Dania Aramini | Marco Nava | Luca Moretti | Alberto Rainer | Mattia Sponchioni | Filippo Rossi
Source: ACS Applied Materials & Interfaces (article, 2025-10-28)
Field: Materials Science — Biomaterials

pH-Thermo Dual-Responsive Polymeric Nanoparticles for Women’s Health: Dual Action Against Cervical and Ovarian Cancer Cells The development of smart nanocarriers capable of responding to tumor-specific stimuli represents a promising strategy for improving therapeutic selectivity in oncology. In this work, we present a class of dual-responsive polymeric nanoparticles (NPs) engineered for precision drug delivery in gynecological cancers. Amphiphilic block copolymers of the type P(MAA)-<i>b</i>-P(EG<sub>2</sub>MA-<i>co</i>-NIPAM) integrating pH-responsive methacrylic acid (MAA) and thermoresponsive diethylene glycol methyl ether methacrylate (EG<sub>2</sub>MA) and <i>N</i>-isopropylacrylamide (NIPAM) units were synthesized via reversible addition-fragmentation chain transfer (RAFT) polymerization. Fine-tuning of the lower critical solution temperature (LCST) was achieved by modulating the ratio between NIPAM and EG<sub>2</sub>MA, yielding copolymers with cloud points within the physiologically relevant range of 30-40 °C. The resulting NPs exhibited sharp and reversible swelling/shrinking behavior in response to pH and temperature stimuli, with sizes below 182 nm and narrow polydispersity indexes. The core-shell architecture was stabilized by a dodecyl-functionalized chain transfer agent, ensuring efficient self-assembly and robust encapsulation of both hydrophilic and hydrophobic drugs. Drug release studies with 5-fluorouracil (5-FU) and the drug-mimetic fluorescein isothiocyanate (FITC) confirmed a marked temperature-triggered release above the LCST and enhanced diffusion in mildly acidic conditions (pH < 6), characteristic of solid tumors. Cellular studies on HeLa and ovarian adenocarcinoma OVCA433 lines revealed rapid internalization, high biocompatibility, and a significant increase in therapeutic efficacy of 5-FU when delivered via NPs, compared to the free drug. These findings highlight the potential of the dual-responsive nanoplatform for targeted and controlled delivery in the treatment of cervical and ovarian cancers. Nanocarriers ; Copolymer ; Lower critical solution temperature ; Amphiphile ; Methacrylic acid ; Micelle ; Nanoparticle ; Drug delivery ; Methacrylate ; HeLa Nanoparticle-Based Drug Delivery ; Pharmacology and Nanomedicine Research ; Cancer Research and Treatment
Authors: S. P. Gupta
Source: Discover Materials (article, 2025-12-23)
Field: Chemistry — Inorganic Chemistry

Advances in molybdenum enriched MOF derived nano-composites for applications outside energy research Molybdenum containing materials such as molybdenum sulphides, selenides, oxides, carbides and phosphides show impressive catalytic activity. This is particularly true for those bearing structural features like high proportion of accessible active catalytic sites and porous nature. Such catalytic activity diversifies to conventional heterogeneous catalysis, photocatalysis, electrocatalysis and photo-thermo catalysis because these materials are conducive to efficient substrate transport in and out of them. MOF derived and MOF mediated self-sacrificial reaction techniques lead to these desirable structural features in the synthesized materials. Composite nano-scale materials derived from molybdenum based MOFs are being increasingly explored as electrodes for electrocatalytic reactions in energy transformation and energy storage devices. Gradually, molybdenum based materials have found a niche in the field of energy research. Apart from these, the unique morphology of these materials are also being used for other functions such as catalyst for oxidative desulphurization and olefin epoxidation, electrocatalytic sensing of analytes, as nano-medicine carrier, pollutant remover, fire retardant material and so on. These are emerging utilities which demand adequate attention of the scientific community. This review mainly concentrates on the developing applications of molybdenum based MOF derived nano-composites for utilities outside energy research. Broadly, it has been observed that homogeneously distributed active reaction sites, advantage of high conductivity of the nano carbon matrix, synergy between multiple reaction sites and high accessibility of the substrate molecules into their framework provides undeniable catalytic advantage to these composite materials. Again, by altering the synthetic techniques and conditions the composition of the nano-composites may be fine-tuned to obtain desirable results. It has been observed that many of these materials perform better than the individual components of the composites in their respective applications. This shows that these composite materials have potential to be explored in newer areas. Catalysis ; Molybdenum ; Electrocatalyst ; Substrate (aquarium) ; Heterogeneous catalysis ; Metal-organic framework ; Carbon fibers ; Olefin fiber Metal-Organic Frameworks: Synthesis and Applications ; Thermal Expansion and Ionic Conductivity ; Electrocatalysts for Energy Conversion
Authors: Peixin Zhang | Dengzhuo Zhou | Xian Suo | Xili Cui | Lifeng Yang | Huabin Xing
Source: Angewandte Chemie International Edition (article, 2025-10-30)
Field: Chemistry — Inorganic Chemistry

Tailored Synergistic Binding Environment in Metal‐Organic Frameworks for Record One‐Step Ethylene Purification from Multicomponent Mixtures Precise control over pore environments in porous materials remains a long-standing challenge for efficient ethylene (C<sub>2</sub>H<sub>4</sub>) purification via physisorption, particularly when targeting impurities with distinct physicochemical properties such as carbon dioxide (CO<sub>2</sub>) and ethane (C<sub>2</sub>H<sub>6</sub>). In this study, we report an isoreticular design strategy to fine-tune the local pore chemistry of metal-organic frameworks (MOFs), enabling the simultaneous selective adsorption of CO<sub>2</sub> and C<sub>2</sub>H<sub>6</sub>. Through rational organic ligand engineering, the hydroxyl-functionalized analogue PCP-TPA-2OH (also termed as ZU-925, ZU represents Zhejiang University) breaks the bottleneck of only C<sub>2</sub>H<sub>6</sub> capture exhibited by the parent PCP-TPA. The tailored synergistic binding environment of ZU-925 makes it be new benchmark in one-step C<sub>2</sub>H<sub>4</sub> purification from CO<sub>2</sub>/C<sub>2</sub>H<sub>6</sub>/C<sub>2</sub>H<sub>4</sub> ternary mixtures. Ultra-purity C<sub>2</sub>H<sub>4</sub> (99.99%) along with high productivity of 17.8 L kg<sup>-1</sup> could be realized through only one-step adsorption. Molecular simulations reveal that the preferential binding of C<sub>2</sub>H<sub>6</sub> arises from a tailored pore environment featuring aligned aromatic units and electronegative oxygen atoms, while Lewis basic hydroxyl groups locally modulate the pore chemistry, contributing to enhanced CO<sub>2</sub> capture. This study provides valuable insights into the design of advanced adsorbents for multiple impurity removal via isoreticular chemistry. Adsorption ; Ternary operation ; Ethylene ; Ligand (biochemistry) ; Ternary complex ; Impurity ; Porosity Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Carbon dioxide utilization in catalysis
Authors: Andrei I. Demenshin | Elena V. Solovyeva
Source: Russian Chemical Reviews (article, 2025-06-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Hybrid structures based on gold nanoparticles and organic fluorophores: synthesis, properties, and applications in theranostics Combination of the beneficial properties of gold nanoparticles and organic fluorophores forms the basis for the development of many advanced agents for bioimaging and laser medicine. The localized surface plasmon resonance of gold nanoparticles enables the control of the optical response and photodynamic activity of neighbouring molecules, being a powerful tool for fine tuning of their target physicochemical properties. Among numerous reviews devoted to the synthesis and optical properties of gold nanoparticles and their applications in particular areas of medicine and bioanalysis, there are no recent studies focusing on specific features inherent in hybrid structures of gold nanoparticles with fluorophores. Therefore, the goal of the present review is to consider the features of such plasmonic structures, the basic principles responsible for their optical properties, and modern approaches to attain multiplexed and multimodal response. The review also describes the existing combinations of gold nanoparticles and organic fluorophores and hybrid structures based on these components and presents their role for solving relevant tasks of biomedicine. &lt;br&gt;The bibliography includes 240 references. Colloidal gold ; Nanotechnology ; Surface plasmon resonance ; Nanoparticle ; Chemistry ; Plasmon ; Materials science ; Optoelectronics Gold and Silver Nanoparticles Synthesis and Applications ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Chaitanya Arya | Johannes Trautvetter | Jose Manuel Sojo Gordillo | Yashpreet Kaur | Valentina Zannier | Arianna Nigro | Fabio Beltram | Tommaso Albrigi | Alicia Ruiz‐Caridad | Lucia Sorba | Riccardo Rurali | Ilaria Zardo
Source: ACS Nano (article, 2025-12-08)
Field: Materials Science — Materials Chemistry

Phonon Interference Effects in GaAs-GaP Superlattice Nanowires Fine-tuning the functional properties of nanomaterials is crucial for technological applications. Superlattices, characterized by periodic repetitions of two or more materials in different dimensions, have emerged as promising areas of investigation. We present a study of the phonon interference effect on thermal transport in GaAs-GaP superlattice nanowires with sharp interfaces between the GaAs and GaP layers, as confirmed by high-resolution transmission electron microscopy. We performed thermal conductivity measurements using the so-called thermal bridge method on superlattice nanowires with a period varying from 4.8 to 23.3 nm. The measurements showed a minimum of the thermal conductivity as a function of superlattice period up to room temperature that we interpreted as an indication of the crossover from coherent to incoherent thermal transport. This effect is not destroyed by the surface boundary or by phonon-phonon scattering, as the crossover trend is also observed at room temperature. Our results were corroborated by both <i>ab initio</i> lattice dynamics and semiclassical nonequilibrium molecular dynamics calculations. These findings provide insights into the wave-like and particle-like transport of phonons in superlattice nanowires and demonstrate the potential for engineering thermal properties through precise control of the superlattice structure. Superlattice ; Nanowire ; Thermal conductivity ; Phonon ; Thermal ; Nanomanufacturing ; Lattice (music) Thermal properties of materials ; Advanced Thermoelectric Materials and Devices ; Thermal Radiation and Cooling Technologies
Authors: Ilya V. Yakovlev | Alexander V. Toktarev | Aleksandr A. Shubin | Evgeniy S. Papulovskiy | Olga B. Lapina
Source: Applied Magnetic Resonance (article, 2025-07-12)
Field: Chemistry — Inorganic Chemistry

NMR Spectroscopic and Theoretical Analysis of Boron Incorporation into the AlPO-41 Framework Facilitated by Silicon Boron ; Silicon ; Solid-state physics ; Chemistry ; Materials science ; Computational chemistry ; Physical chemistry ; Organic chemistry ; Physics ; Condensed matter physics Zeolite Catalysis and Synthesis ; Chemical Synthesis and Characterization ; Advanced NMR Techniques and Applications
Authors: Itsuki Tanaka | Mian Wei | Tomonori Nishimura | Kaito Kanahashi | Shigekazu Morito | Keiji Ueno | Amin Azizi | Kosuke Nagashio
Source: Small Methods (article, 2025-10-20)
Field: Materials Science — Materials Chemistry

Quantitative ToF‐SIMS Assessment of In‐Plane and Out‐of‐Plane Nb Doping Uniformity in CVT‐Grown MoS <sub>2</sub> Crystals Substitutional doping in transition metal dichalcogenides (TMDs) has recently garnered renewed attention due to increasing high demands for ultra-low contact resistance. However, understanding and controlling the spatial distribution of dopants in 2D TMDs is key for precise modulation of their electronic properties for next-generation electronics. In this study, chemical vapor transport (CVT) grown Nb-doped MoS<sub>2</sub> is used as a model system to quantitatively assess impurity distribution via time-of-flight secondary ion mass spectrometry (ToF-SIMS) and photoluminescence (PL) mapping. In-plane PL mapping of monolayers reveals spatially uniform Nb incorporation within the lateral resolution limit of ≈1 µm, whereas bulk crystals exhibit variation in Nb content, suggesting limited out-of-plane dopant diffusion. Moreover, a non-destructive method is established for estimating Nb concentration in individual monolayers by leveraging the linear correlation between PL peak position and Nb content, enabling selective use of monolayers with desired doping levels for device applications. The integration of these techniques offers an effective framework for spatially characterizing and fine-tuning doping in 2D TMDs, paving the way for their reliable implementation into future electronic devices. Dopant ; Monolayer ; Doping ; Impurity ; Photoluminescence ; Transition metal ; Analytical Chemistry (journal) ; Chemical vapor deposition 2D Materials and Applications ; MXene and MAX Phase Materials ; Advanced biosensing and bioanalysis techniques
Authors: Jeong Jae Lee | Huỳnh Trung Sơn | Kwanyong Jeong | Su Bin Roh | Sunil Kwon | Soo Min Kim | Ji Hui Seo | Pyung Soon Kim | Jungkyu Choi | Ji Hoon Park
Source: JACS Au (article, 2025-07-01)
Field: Chemistry — Inorganic Chemistry

The Potential of Methyl Groups: Can Methyl Groups Unlock Reactivity Limitations of the Acceptorless Dehydrogenation of N-Heterocycles? We systematically investigated how the position of the methyl group in methylpiperidine/methylpyridine (MPI/MPY) pairs governs its acceptorless dehydrogenation reactivity through three perspectivesthermodynamics, kinetics, and adsorption. Among the MPI isomers, 2-MPI shows the highest conversion of 97.5% and a fast reaction rate of 1.39 g<sub>H<sub>2</sub></sub> g<sub>Pd</sub> <sup>-1</sup> min<sup>-1</sup>. Thermodynamically, a 2-positioned methyl group lowers the dehydrogenation enthalpy and raises the reaction entropy, enhancing overall spontaneity and enabling near-equilibrium conversion. Kinetically, the 2-methyl group decreases the activation energy for dehydrogenation and slows reverse hydrogenation, thereby boosting the overall reaction rate. From an adsorptive standpoint, it allows the product, MPY, to bind more weakly to the Pd catalyst, mitigating product inhibition that otherwise deactivates catalytic sites at high conversion. By contrast, 3-MPI and 4-MPI have lower thermodynamic spontaneity, higher activation energies, and stronger product inhibition, ultimately reducing their dehydrogenation reactivity. These findings reveal how a seemingly minor structural changethe repositioning of a single methyl groupcan markedly influence the enthalpy-entropy balance, activation barriers, and catalyst deactivation under solvent-free, pressurized conditions. Our integrated approach illustrates that fine-tuning the substitution position offers a powerful molecular design lever for maximizing hydrogen release and minimizing inhibitory effects in liquid organic hydrogen carrier systems. Dehydrogenation ; Reactivity (psychology) ; Chemistry ; Methyl group ; Organic chemistry ; Stereochemistry ; Medicinal chemistry ; Combinatorial chemistry ; Group (periodic table) ; Medicine ; Catalysis Asymmetric Hydrogenation and Catalysis ; Carbon dioxide utilization in catalysis ; Nanomaterials for catalytic reactions
Authors: Fen Yang | Biaobiao Ge | Liang Li | Qianmin Dong | Qiang Chen | Jie Huang | Pei Liang
Source: Journal of Alloys and Compounds (article, 2025-08-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Octahedral MIL-101(Fe)-supported gold nanostars synergizing electromagnetic enhancement and molecular enrichment for ultrasensitive SERS detection Nanotechnology ; Materials science ; Octahedron ; Plasmon ; Chemistry ; Optoelectronics ; Crystallography ; Crystal structure Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Advanced biosensing and bioanalysis techniques
Authors: Linghui Tang | Yue Wang
Source: Electrochimica Acta (article, 2025-12-15)
Field: Materials Science — Materials Chemistry

MOF-74-inspired metal-organic complex as an efficient peroxidase-mimicking electrocatalyst for ultrasensitive hydrogen peroxide sensing Detection limit ; Hydrogen peroxide ; Electrocatalyst ; X-ray photoelectron spectroscopy ; Linear range ; Electrochemistry ; Oxidizing agent ; Electrode Advanced Nanomaterials in Catalysis ; Electrochemical sensors and biosensors ; Advanced biosensing and bioanalysis techniques