jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Farid M. Sroor | Ahmed A. F. Soliman | Wagdy K. B. Khalil | Khaled Mahmoud
Source: Drug Development Research (article, 2025-08-13)
Field: Chemistry — Organic Chemistry

Comparative Study of Pyridine and Pyrimidine Derivatives as Promising Anti‐Inflammatory Agents: Design, Synthesis, and LPS‐Induced RAW 264.7 Macrophages In this study, we aimed to design and synthesize a novel series of pyridine and pyrimidine derivatives and evaluate their anti-inflammatory activity against RAW 264.7 macrophages. Using chalcones (5a-f) as suitable precursors, we disclosed a novel series of pyridine (7a-f) and pyrimidine (9a-e) derivatives via the reaction of 5a-f with 2-cyanothioacetamide or guanidine hydrochloride, respectively. Both pyridines and pyrimidines were tested as anti-inflammatory agents to compare the difference in activity of the pyridine and pyrimidine scaffolds as part of a comparative study. With a percentage of live cells greater than 80%, the pyridines (7a-f) and pyrimidines (9a-e) were found to be safe for RAW cells. Moreover, the anti-inflammatory activity of these compounds was evaluated in lipopolysaccharide (LPS)-stimulated RAW macrophages by performing nitric oxide (NO) assays. Among pyridines, 7a and 7f showed significant inhibition with 65.48% and 51.19%, with IC<sub>50</sub> values (IC<sub>50</sub> = 76.6 and 96.8 µM), respectively. The pyrimidine derivatives showed promising results as well, 9a and 9d ranking the best activity with 55.95% and 61.90%, respectively, and IC<sub>50</sub> values (IC<sub>50</sub> = 83.1 and 88.7 µM, respectively). The gene expression levels were assessed for the most promising compounds 7a and 9d using real-time reverse transcription-polymerase chain reaction analysis to measure the mRNA and protein expression levels of inflammatory cytokines, including interleukin-1 (IL-1), interleukin-6 (IL-6), tumor necrosis factor-alpha (TNF-ɑ), nuclear factor kappa β (NF-kβ), and inducible nitric oxide synthase (INOS). The expression levels of IL-1, IL-6, TNF-ɑ, NF-kβ, and INOS genes were decreased significantly in RAW-treated cells with 7a by 43%, 32%, 61%, 26%, and 53% respectively, compared with negative RAW cells. The expression levels of IL-1, IL-6, NF-kβ, and INOS genes were decreased significantly in RAW-treated cells with 9d by 71%, 48%, 61%, and 65%, respectively, compared with negative RAW cells. However, the expression levels of the TNF-ɑ gene were decreased without significant differences in RAW treated with 9d by 83% (p > 0.05) compared with negative RAW cells. These findings exhibited that 7a was more effective compared with 9d as an anti-inflammatory agent. Chemistry ; Nitric oxide ; Pyridine ; Nitric oxide synthase ; Pyrimidine ; IC50 ; Tumor necrosis factor alpha ; Lipopolysaccharide ; Interleukin ; Hydrochloride ; Biochemistry ; Activator (genetics) ; Pharmacology ; Molecular biology ; In vitro ; Cytokine ; Organic chemistry ; Immunology ; Biology ; Gene Synthesis and biological activity ; Quinazolinone synthesis and applications ; Synthesis and Characterization of Heterocyclic Compounds
Authors: Emine Kayhan
Source: International Journal of Applied Ceramic Technology (article, 2025-02-21)
Field: Materials Science — Polymers and Plastics

Temperature‐controlled synthesis of bismuth tungstate with enhanced photochromic properties Abstract This study explores the photochromic properties of bismuth tungstate (Bi 2 WO 6 ) synthesized via a solid‐state method at various temperatures (300°C–1000°C) to optimize light‐responsive behavior for potential applications. The Bi 2 WO 6 samples, prepared from tungsten oxide (WO 3 ) and bismuth oxide (Bi 2 O 3 ) through heat treatment, were analyzed using X‐ray diffraction (XRD), UV‐Vis Diffuse Reflectance Spectroscopy (UV‐DRS), and scanning electron microscopy (SEM) techniques. XRD results revealed the formation of the Bi 2 WO 6 phase at higher temperatures, while the Bi 14 W 2 O 27 phase, formed at 400°C–500°C, exhibited an oxygen‐deficient structure enabling significant color shifts. Band gap analysis showed that samples synthesized at 400°C and 500°C had a lower band gap (2.63 eV) compared to those prepared at higher temperatures, suggesting enhanced electronic properties due to oxygen vacancies. SEM images showed nanoscale crystal facets in the 400°C and 500°C samples, which facilitated effective sunlight excitation and stable color changes. Under sunlight exposure, these samples transitioned from yellow to greenish brown within 5 min, quickly reaching color saturation, while samples synthesized at higher temperatures showed minimal photochromic response. This work is the first to report on the photochromic properties of Bi 2 WO 6 synthesized through solid‐state methods, highlighting the role of oxygen vacancies, reduced band gap, and nanoscale morphology on enhancing photochromic performance. Photochromism ; Tungstate ; Materials science ; Bismuth ; Chemical engineering ; Nanotechnology ; Inorganic chemistry ; Metallurgy Transition Metal Oxide Nanomaterials ; Advanced Photocatalysis Techniques ; Catalysis and Oxidation Reactions
Authors: Mainak Koner | Nityananda Ballav | A.J. Varma | Suman Ghosh | Tapan Kumar Mondal | Rositha Kuniyil | Mahiuddin Baidya
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Multifaceted photocatalysis enables cobalt catalyzed enantioselective C–H activation and APEX reaction for C–N axially chiral molecules Molecules with the C-N stereogenic axes have widespread applications, yet their asymmetric synthesis under mild and environmentally friendly conditions is becoming increasingly challenging. Herein, we report the merger of inexpensive photoredox catalysis with a cobalt-catalyzed asymmetric C-H activation/APEX strategy, enabling cascade annulation of (hetero)arenes and alkenes with α-aryl-allenyl acetates to deliver C-N axially chiral benzophenanthridinone and polycyclic quinolinone frameworks with very high yields and enantioselectivities at room temperature. This methodology leverages the multifaceted role of photocatalysis - facilitating the redox event of the cobalt catalyst and the formation of key intermediates that drive the APEX process. It also harnesses the α-aryl-allenyl acetate coupling partners as the formal arene precursors, which have been elusive thus far. The intricacy of the reaction mechanism and the rationale behind the stereoselective outcomes were also unraveled through controlled experiments and DFT studies. Stereocenter ; Enantioselective synthesis ; Catalysis ; Photocatalysis ; Cobalt ; Annulation ; Cascade reaction ; Molecule ; Stereoselectivity Catalytic C–H Functionalization Methods ; Synthesis and Catalytic Reactions ; Axial and Atropisomeric Chirality Synthesis
Authors: Thomas Ojonugwa Daniel | U. Nwankwo
Source: Revista Mexicana de Física (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Synthesis and characterizaton of silver/silver oxide thin film via chemical bath deposition The chemical bath deposition technique was used to deposit Ag/AgO films on a glass substrate using silver nitrate (AgNO3) and triethanolamine (a polymer matrix) as the complexing agent. X-ray diffraction (XRD) was used to study the crystalline structure of the films, scanning electron microscopy (SEM) was used to study the micrograph/morphology, and energy dispersive spectroscopy (EDS) was used for elemental composition analysis. Four peaks at 2θ values of 38.05°, 44.15°, 64.31°, and 77.41° matched the (111), (200), (220), and (311) peaks, respectively, indicating that the obtained films were crystalline. The Ag/AgO films had a relatively low transmittance value of approximately 12% in the wavelength range of 300 to 1100 nm, a band gap energy of less than 2 eV, and a high absorbance of ≥ 80%, suggesting applications in photothermal, photoelectronic devices/systems, architectural coatings, and other areas where spectrally selective films are of interest. Chemical bath deposition ; Scanning electron microscope ; Triethanolamine ; Materials science ; Absorbance ; Silver nitrate ; Band gap ; Thin film ; Analytical Chemistry (journal) ; Substrate (aquarium) ; Micrograph ; Deposition (geology) ; X-ray photoelectron spectroscopy ; Energy-dispersive X-ray spectroscopy ; Chemical engineering ; Nuclear chemistry ; Nanotechnology ; Optics ; Chemistry ; Optoelectronics ; Composite material Copper-based nanomaterials and applications ; ZnO doping and properties ; Quantum Dots Synthesis And Properties
Authors: Yunpeng Gao | Julong Jiang | Satoshi Maeda | Koji Kubota | Hajime Ito
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

A cooperative electron-deficient phosphine/olefin ligand system for the site-selective mechanochemical Suzuki–Miyaura cross-coupling of 2,4-dibromoaryl ethers The palladium-catalyzed site-selective cross-coupling of identical halogen groups with minimal electronic and steric bias remains a formidable challenge, especially for simple benzene derivatives. Here, we report a cooperative phosphine/olefin ligand system that allows the unprecedented C2-selective Suzuki-Miyaura cross-coupling of 2,4-dibromoaryl ethers; regioselective reactions of these substrates are typically difficult to accomplish due to the small steric and electronic differences between the two bromo groups. The electron-deficient ligand JackiePhos facilitates the selective oxidative addition of the slightly-more-negatively-charged C2-Br bond, while 1,5-cyclooctadiene (1,5-cod) stabilizes the sensitive monomeric palladium species, preventing the <i>in situ</i> formation of ligand-less dense and large palladium aggregates that lead to nonselective cross-coupling. This unique ligand effect is more pronounced under solid-state ball-milling conditions than conventional solution-based conditions. Moreover, we demonstrate that by starting with the C2-selective cross-coupling, a sequential assembly of different aryl groups to the C2, C4, and even C1-site of the benzene core is possible, thus providing a straightforward and efficient strategy to construct multi-functionalized arene scaffolds. Chemistry ; Steric effects ; Phosphine ; Palladium ; Ligand (biochemistry) ; Aryl ; Regioselectivity ; Olefin fiber ; Oxidative addition ; Combinatorial chemistry ; Photochemistry ; Stereochemistry ; Organic chemistry ; Catalysis ; Alkyl Catalytic Cross-Coupling Reactions ; Catalytic C–H Functionalization Methods ; Organoboron and organosilicon chemistry
Authors: Sooyeon Moon | Julia C. Reisenbauer | Ann-Sophie K. Paschke | Alessandro Scotto | Luca Terraneo | Nancy J. Brenner | Quentin Lefebvre | Thomas C. Fessard | Bill Morandi
Source: Chemical Communications (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Efficient optimization and synthesis of diverse azaarenes <i>via</i> nitrogen atom insertion under continuous flow conditions We report the development of a continuous flow approach to nitrogen atom insertion. The setup is modular, enabling the rapid optimization of reaction conditions for a wide range of substrates. The milder reaction conditions led to an improved substrate scope and functional group tolerance compared to batch conditions. The reactions can also be safely scaled up to preparative scale. Continuous flow ; Substrate (aquarium) ; Nitrogen atom ; Functional group ; Nitrogen ; Reaction conditions ; Atom (system on chip) Multicomponent Synthesis of Heterocycles ; Synthesis of Tetrazole Derivatives ; Chemical Synthesis and Analysis
Authors: Helder M. Marques
Source: Preprints.org (preprint, 2025-02-12)
Field: Chemistry — Inorganic Chemistry

The Bioinorganic Chemistry of the First Row d-Block Metal Ions – An Introduction In a review intended as an introduction to bioinorganic chemistry for the senior undergraduate and novice postgraduate student, the role played in biological systems by the metals of the first row of the d block is examined using selective and illustrative examples and highlighting current thinking in the field. Bioinorganic chemistry ; Block (permutation group theory) ; Metal ions in aqueous solution ; Ion ; Chemistry ; Metal ; Inorganic chemistry ; Nanotechnology ; Materials science ; Mathematics ; Stereochemistry ; Combinatorics ; Organic chemistry Radioactive element chemistry and processing ; Radiopharmaceutical Chemistry and Applications ; Metal complexes synthesis and properties
Authors: Yuri Ko | Heesu Kim | Seulgi Kim | Chanmin Lee | Sang Soo Lee | Hyun‐Seog Roh | Jungho Shin | Yukwon Jeon
Source: Catalysts (article, 2025-01-06)
Field: Materials Science — Materials Chemistry

CO Management for Hydrogen Processes Through a Catalytic Oxidation Mechanism on Dual-Doped Perovskites with Tuned Co and Ni Ratios In hydrogen processes, managing CO emissions and removal by catalytic oxidation is crucial during H2 production, storage/transportation, and use, ensuring the efficiency and safety of hydrogen systems and contributing to more sustainable energy solutions. Perovskite-structured transition metal oxide catalysts have been widely studied in various energy and environmental applications due to their extensive compositional modifications and electronic adjustments, facilitating catalytic behavior. Here, Ce-based perovskite catalysts with dual active metal doping at varying Co and Ni ratios are investigated to understand their structural and redox properties in CO oxidation. The reaction mechanism involves CO adsorption, oxygen activation, and redox cycling, confirming catalytic turnover. In situ DRIFTS analysis reveals real-time surface transformations with catalytic activity, which vary with Co and Ni doping ratio. Relatively, CO adsorption on Co3+ dominates the low-temperature activity, whereas Ni contributes to the efficiency at elevated temperatures. LCCNTxy (La0.7Ce0.1CoxNiyTi0.6O3) with x = 0.3 and y = 0.1 exhibits the highest performance, achieving T10 above 40 °C and the fastest T90 at 230 °C. This study highlights the compositional tuning in dual-doped perovskites and complementary roles of Co and Ni in CO oxidation for developing efficient industrial catalysts. Catalysis ; Perovskite (structure) ; Redox ; Materials science ; Oxide ; Adsorption ; Hydrogen ; Chemical engineering ; Inorganic chemistry ; Metal ; Transition metal ; Chemistry ; Physical chemistry ; Metallurgy Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Catalysis and Hydrodesulfurization Studies
Authors: Yang Guo | Hao Wu | Xinyu Mao | Yawei Li | Weiguang Zhu
Source: International Journal of Nanomedicine (review, 2025-10-01)
Field: Chemistry — Inorganic Chemistry

Metal-Organic Frameworks as Advanced Gene Delivery Vectors: Mechanisms, Functionalization, and Biomedical Applications Gene therapy has emerged as a transformative therapeutic strategy for addressing genetic disorders, refractory cancers, and infectious diseases; however, its clinical translation is significantly hindered by the lack of efficient, safe, and targeted gene delivery vectors. Conventional viral vectors are limited by immune rejection, narrow packaging capacity, and potential biosafety risks, while early nonviral vectors often suffer from poor targeting ability, low intracellular delivery efficiency, and insufficient protection of genetic cargo. Thus, the development of advanced gene delivery vectors is critical to overcoming these bottlenecks, safeguarding the stability and bioavailability of genetic materials, and unlocking the full therapeutic potential of gene-based therapies. Metal-organic frameworks (MOFs) are a new type of porous nanomaterial with substantial potential for use in gene delivery due to their large specific surface area, tunable pore size, good biocompatibility, and low toxicity. Here, we present a comprehensive review of MOF synthesis strategies, gene delivery mechanisms, and associated progress in biomedical applications. Genes can be effectively loaded onto MOFs through pore encapsulation, surface adsorption, covalent binding, and in situ encapsulation. Subsequently, surface functionalization methods are used to achieve precise delivery. In tumor-targeted therapy, MOFs can specifically recognize cancer cells and release genes in response to the microenvironment, thereby significantly inhibiting tumor growth. In the field of immune regulation, MOF multifunctionality supports the codelivery of genes and immune drugs, synergistically enhancing the antitumor immune response. However, challenges remain in the clinical application of MOFs, including insufficient biostability, low intracellular delivery efficiency, and potential toxicity. These challenges are expected to be addressed in the future through the development of new stable MOF materials, the optimization of surface engineering strategies, and the construction of intelligent responsive systems, yielding more precise and efficient gene therapy development. Gene delivery ; Genetic enhancement ; Immune system ; Biosafety ; Viral vector Metal-Organic Frameworks: Synthesis and Applications ; RNA Interference and Gene Delivery ; Advanced Nanomaterials in Catalysis
Authors: Mohammad Navvabpour | Safi Jradi | Pierre‐Michel Adam | Suzanna Akil
Source: Chemosensors (article, 2025-02-03)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Facile Synthesis of Palladium Nanorods: Self-Assembly into Thin 2D Layers for SERS Sensing This study presents a simple, high-throughput synthesis approach for fabricating palladium (Pd) nanomaterials with anisotropic shapes, specifically Pd nanorods, via a self-assembly process. This method avoids the use of reducing agents, surface functionalization, and stabilizing agents. Palladium–poly(methyl methacrylate) (Pd-PMMA) nanocomposites were successfully synthesized using a vapor-induced phase separation (VIPS) method. The formation of Pd nanorods was controlled by tuning key parameters, such as the Pd precursor concentration, choice of solvents, and spin coating speed. Notably, the resulting nanorods exhibited high reproducibility and ultrasensitivity as a surface-enhanced Raman scattering (SERS) platform, achieving an enhancement factor of approximately 1.8 × 105, despite the relatively weak plasmonic properties of Pd. This work represents a novel, facile strategy for Pd nanorod synthesis, offering new potential for the design of Pd-based nanosensors for chemical sensing applications. Nanorod ; Palladium ; Materials science ; Nanomaterials ; Nanotechnology ; Surface modification ; Raman scattering ; Plasmon ; Raman spectroscopy ; Chemical engineering ; Catalysis ; Optoelectronics ; Organic chemistry ; Chemistry ; Optics Gold and Silver Nanoparticles Synthesis and Applications ; Nanocluster Synthesis and Applications ; Quantum Dots Synthesis And Properties
Authors: Anja Ramström | Daisy R. S. Pooler | Huseynagha Abasov | Monika Tomar | Stefano Crespi | Fredrik Schaufelberger
Source: Angewandte Chemie International Edition (article, 2025-06-04)
Field: Materials Science — Materials Chemistry

Modulation of Lanthanide Luminescence with the Mechanical Bond: Antenna‐Emitter Confinement in a Compact [2]Rotaxane Luminescent emitters based on lanthanide ions are of ubiquitous importance in the biological sciences, but typically need sensitization from a covalently attached adjacent chromophore - an "antenna" - to have suitable emission intensities. Here we show that the mechanical bond can be used to connect the antenna to the emitter, providing dynamic features and stimuli-responsiveness to the resulting assemblies. We outline a strategy to synthesize [2]rotaxanes capped with strong chelating groups, and establish that post-functionalization of the interlocked scaffold by lanthanide ion insertion is modular, high-yielding and straightforward. Photophysical studies revealed effective antenna-emitter energy transfer within the [2]rotaxane, and the sensitization mechanism as well as ring-thread dynamics were studied with spectroscopic and computational methods. The rotaxane was shown to have high selectivity toward Cu(II) ions, acting as an efficient turn-off sensor. This study validates the mechanical bond as a conjugation method between antennas and emitters, yielding otherwise hard-to-access and beneficial features to the resulting molecular systems. Luminescence ; Common emitter ; Rotaxane ; Lanthanide ; Materials science ; Modulation (music) ; Antenna (radio) ; Optoelectronics ; Nanotechnology ; Chemistry ; Telecommunications ; Physics ; Crystallography ; Engineering ; Supramolecular chemistry ; Organic chemistry Lanthanide and Transition Metal Complexes ; Supramolecular Chemistry and Complexes ; Luminescence and Fluorescent Materials
Authors: Mengdi Yu | Jianjiang He | Xiuli Hu | Bowen Liu | Wei Zhao | Jingjiang Sun | Qingfu Wang
Source: Advanced Composites and Hybrid Materials (article, 2025-10-01)
Field: Materials Science — Materials Chemistry

Graphdiyne and its derivatives: a stabilizer for metastable particles Graphdiyne (GDY), as an emerging carbon material, is a novel two-dimensional allotrope of carbon that possesses superior structural and performance characteristics. It not only exhibits both sp-sp2 hybridized orbitals with a high degree of π-conjugation but also features a uniformly distributed porous structure guaranteeing GDY excellent electron transfer and ion diffusion properties. Most importantly, GDY exhibits a high density of acetylene bonds, which bestow it with the ability to adsorb metallic atoms, load metal particles, and diminish the surface energy of metal particles. The strong interaction between GDY’s unique 2D scaffold and the high activity of the loaded metal species generates significant synergistic, confinement, and quantum size effects. These outstanding composite effects draw forth superior performance in various fields, including catalysis, energy storage and conversion, and biochemical. In this review, we provide a systematic overview of GDY-based composites by categorizing the metal loadings into three scales: single atoms, nanoclusters, and nanoparticles. For each category, the discussion will cover their distinct structural features, synthesis methods, material properties, and fields of application. TOC: This review provides a thorough overview of GDY-based composite, highlighting its categories, synthetic principle, applications, advantages, challenges, and opportunities. Carbon fibers ; Metal ; Acetylene ; Metastability ; Composite number ; Adsorption ; Diffusion Graphene research and applications ; Carbon Nanotubes in Composites ; Molecular Junctions and Nanostructures