jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Débora de Souza Collares Maia Castelo‐Branco | Zahra Hosseinpur Yektaei | Sureka Chandrabose | Filipe Alexandre Almeida Paz | Meenakshisundaram Kandhavelu | Nuno R. Candeias
Source: RSC Medicinal Chemistry (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Glioblastoma antitumoral activity of tetrahydroquinoline-derived triarylmethanes Glioblastoma multiforme (GBM) is an aggressive and treatment-resistant brain tumor. The expansion of a phenolic Mannich base library <i>via</i> the Petasis reaction unexpectedly led to the unsymmetrical tetrahydroquinoline-derived triarylmethanes, confirmed by single-crystal X-ray diffraction. Optimization of reaction conditions revealed the influence of solvent, temperature, and substituent patterns on product yield and regioselectivity. Several of the newly synthesized triarylmethanes demonstrated potent cytotoxicity against human GBM cell lines LN229 and SNB19, with compound 8a' exhibiting IC<sub>50</sub> values (35.3 μM and 23.5 μM, respectively) significantly lower than those of the standard chemotherapeutic agent temozolomide (309.7 μM and 344.4 μM, respectively). In addition to inhibiting cell proliferation, 8a' disrupted GBM cell migration in scratch assays, suggesting a strong link between cytotoxicity and impaired motility. The SiRNA experiment confirmed that the specific interaction of 8a' with EGFR modulates intracellular calcium levels in GBM. These findings highlight the therapeutic potential of triarylmethane scaffolds in GBM treatment <i>via</i> EGFR interaction and underscore the importance of fine-tuning multicomponent reactions to discover biologically active chemotypes. Temozolomide ; Cytotoxicity ; Glioblastoma ; Cell culture ; Intracellular ; U87 ; Yield (engineering) ; Cell ; Cell growth Synthesis of Indole Derivatives
Authors: Qing Hong | Yuanjie Ma | Caixia Zhu | Kaiyuan Wang | Hong Yang | Kaiqing Wu | Yanfei Shen | Songqin Liu | Xuejiao J. Gao | Yuanjian Zhang
Source: Angewandte Chemie (article, 2025-11-10)
Field: Materials Science — Materials Chemistry

Graphitic C <sub>6</sub> N <sub>6</sub> ‐Supported Dual Cu/Zn Single‐Atom Nanozyme Mimicking Allosteric Regulation for Intelligent Switching Biosensing Abstract Self‐adaptability is highly envisioned for artificial devices such as robots with chemical noses. To this end, seeking catalysts with reversibly switchable functions is promising but generally hampered by mismatched specific valence state of active centers for a certain type of catalytic activity. Herein, we report a graphitic C 6 N 6 ‐supported dual Cu/Zn single‐atom nanozyme (Cu/Zn‐C 6 N 6 ) with switchable functions triggered by light irradiation. Cu/Zn‐C 6 N 6 exhibited highly efficient distinctive superoxide dismutase (SOD)‐ and peroxidase‐like (POD) activity under dark and light, respectively. Moreover, such switch between SOD‐ and POD‐like activities were reversible by alternating dark and light irradiation with an efficiency more than 90%. The comprehensive experimental and TD‐DFT calculations disclosed that both illumination and the Cu/Zn doping ratio modulate the reduction potential (φ red ) by altering the potential energy surface and frontier orbital energies, thereby fine‐tuning the SOD activity, making distinctive SOD‐ and POD‐like activities originated from the same active center (Cu‐N x ) but with different valence states, triggered by photoreduction. As a proof‐of‐concept application, Cu/Zn‐C 6 N 6 was further confined to a microfluidic chip and applied to an intelligent single‐interface biosensor with reversibly switched ability in detecting xanthine and glucose in vitro. Biosensor ; Valence (chemistry) ; Catalysis ; Allosteric regulation ; Irradiation ; Amperometry ; Dual role ; Cleave Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications
Authors: Muhammad Irfan | Fatma A. Ibrahim | Mohamed S. Hamdy | Shams A.M. Issa | Emad M. Ahmed | Hesham M.H. Zakaly
Source: Polyhedron (article, 2025-04-28)
Field: Materials Science — Materials Chemistry

Comprehensive DFT analysis of structural, optoelectronic, elastic and thermophysical properties of calcium-based hydrides for hydrogen storage and energy applications Chemistry ; Hydrogen storage ; Energy storage ; Calcium ; Hydrogen ; Thermodynamics ; Organic chemistry Hydrogen Storage and Materials ; Thermodynamic and Structural Properties of Metals and Alloys ; Boron and Carbon Nanomaterials Research
Authors: Hong Qing | Yuanjie Ma | Caixia Zhu | Kaiyuan Wang | Yang Hong | Kaiqing Wu | Yanfei Shen | Songqin Liu | Xuejiao J. Gao | Yuanjian Zhang
Source: Angewandte Chemie International Edition (article, 2025-11-10)
Field: Materials Science — Materials Chemistry

Graphitic C <sub>6</sub> N <sub>6</sub> ‐Supported Dual Cu/Zn Single‐Atom Nanozyme Mimicking Allosteric Regulation for Intelligent Switching Biosensing Self-adaptability is highly envisioned for artificial devices such as robots with chemical noses. To this end, seeking catalysts with reversibly switchable functions is promising but generally hampered by mismatched specific valence state of active centers for a certain type of catalytic activity. Herein, we report a graphitic C<sub>6</sub>N<sub>6</sub>-supported dual Cu/Zn single-atom nanozyme (Cu/Zn-C<sub>6</sub>N<sub>6</sub>) with switchable functions triggered by light irradiation. Cu/Zn-C<sub>6</sub>N<sub>6</sub> exhibited highly efficient distinctive superoxide dismutase (SOD)- and peroxidase-like (POD) activity under dark and light, respectively. Moreover, such switch between SOD- and POD-like activities were reversible by alternating dark and light irradiation with an efficiency more than 90%. The comprehensive experimental and TD-DFT calculations disclosed that both illumination and the Cu/Zn doping ratio modulate the reduction potential (φ<sub>red</sub>) by altering the potential energy surface and frontier orbital energies, thereby fine-tuning the SOD activity, making distinctive SOD- and POD-like activities originated from the same active center (Cu-N<sub>x</sub>) but with different valence states, triggered by photoreduction. As a proof-of-concept application, Cu/Zn-C<sub>6</sub>N<sub>6</sub> was further confined to a microfluidic chip and applied to an intelligent single-interface biosensor with reversibly switched ability in detecting xanthine and glucose in vitro. Biosensor ; Valence (chemistry) ; Allosteric regulation ; Catalysis ; Cleave ; Dual role ; Dual (grammatical number) Advanced Nanomaterials in Catalysis ; Advanced biosensing and bioanalysis techniques ; Nanoplatforms for cancer theranostics
Authors: Zhengyu Zhang | Yujie Yang | Hao Li | Zhihao Geng | Hongyu Ding
Source: Journal of Materials Science (article, 2025-08-19)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Ga-doped NiZnCu ferrite@polyaniline/carbon nanotube ternary composites operating in the C-band and Ku-band exhibit tunable microwave absorption performance Materials science ; Carbon nanotube ; Polyaniline ; Ternary operation ; Microwave ; Ferrite (magnet) ; Composite material ; Doping ; Band gap ; Polymer ; Optoelectronics Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Metamaterials and Metasurfaces Applications
Authors: S. Pandey | Aparna J Nadgawda | Chitra S. Khade
Source: Oriental Journal Of Chemistry (article, 2025-04-28)
Field: Materials Science — Materials Chemistry

Tailoring Eu2+ Doped Ba₅Al₂O₈ Phosphors for Solid-State Lighting Rare earth Eu2+ doped Ba5Al2O8 phosphors with different concentrations of dopant were synthesized using a microwave assisted Solid state metathesis (SSM) process. Along with the structure, surface morphology its photoluminescence (PL) characteristics were studied. Eu2+ emission in Ba5Al2O8 lattice was observed at 496 nm which lies in Bluish green color wavelength range of the spectrum, when it is excited at 354 nm. The emission of bluish green color is because of the Eu2+ ions moves from 4f6 5d to 4f7.The presented phosphor has band gap energy Eg = 2.50eV . The maximum peak for PL intensity was obtained for a 1 mol% concentration of Eu2+ in Ba5Al2O8 host lattice. The results indicated that the material could be a strong contender as a bluish green-emitting phosphor it could be promising phosphor materials can be used for solid state lighting and in the modern display systems. As it is known that the w-LEDs (white light-emitting diodes) uses Red, Green, and Blue emitting phosphors and they are the next generations lighting system and this can also be used for PDP (plasma display panel) application. The described phosphor can serve as a source for bluish-green light-emitting LEDs, enabling the fine-tuning of light spectra to optimize plant growth in controlled environment agriculture. Phosphor ; Material chemistry ; Elsevier Biobase ; Industrial chemistry ; Doping ; Solid-state lighting ; Solid-state ; Chemistry ; Theoretical chemistry ; Green chemistry ; Chemical engineering ; Engineering physics ; Nanotechnology ; Materials science ; Physical chemistry ; Crystal structure ; Supramolecular chemistry ; Crystallography ; Optoelectronics ; Light-emitting diode ; Biochemical engineering ; Physics ; Engineering Luminescence Properties of Advanced Materials ; Radiation Detection and Scintillator Technologies ; Gas Sensing Nanomaterials and Sensors
Authors: Henrique de Araujo Chagas | Tertius L. Fonseca | Guilherme Colherinhas
Source: Journal of Power Sources (article, 2025-08-13)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Modeling supercapacitors with integrated conductors via molecular dynamics: Optimization and impacts on energy efficiency Supercapacitor ; Electrical conductor ; Molecular dynamics ; Dynamics (music) ; Materials science ; Nanotechnology ; Physics ; Chemistry ; Capacitance ; Computational chemistry ; Composite material Supercapacitor Materials and Fabrication ; Fuel Cells and Related Materials ; Advanced battery technologies research
Authors: Yiliang Zhang | Weilong Wu | Wenlei Xu | Yuqin Fu | Hui Guo | Zhiqiang Lu
Source: Acta Chimica Sinica (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Click-Inspired Functionalization of Glycans: Rational Design and Efficient Synthesis of C3-OH Specific Derivatives As pivotal functional biomolecules, carbohydrates acquire diverse biological recognition capabilities through structural modifications that fine-tune their interactions with biological systems.Glycan derivatives bearing C3-position modifications have emerged as a focal point in glycochemistry research due to their distinctive physiological and pharmacological activities.This study implemented a modular design strategy to construct multifunctional C3-glycoside scaffolds by synergistically integrating biologically oriented bonding patterns.Three complementary functional motifs-ester linkages (for controlled degradation), perfluoroaryl groups (for hydrophobicity enhancement), and site-specific nucleophilic aromatic substitution (SNAr)-were strategically incorporated to confer multi-responsive potential.For the synthesis process, we established a highly efficient reaction protocol.Under standard reaction conditions, cesium carbonate was employed as the base, and a tetrahydrofuran (THF)/dimethyl sulfoxide (DMSO) (V/V, 51) mixed solvent system was utilized.Remarkably, the reactions could be completed within as little as 20 s at room temperature, achieving yields exceeding 90%.This rapid and efficient reaction exhibits remarkable versatility and broad substrate tolerance.Taking this reaction as the standard condition, we successfully constructed the efficient synthesis of over 30 related C3-glycan derivatives, demonstrating the robustness and scalability of our developed method.This green synthesis protocol, characterized by mild reaction conditions and a rapid process, represents a significant advancement in achieving efficient C3-site derivatization.Furthermore, we pioneered preliminary investigations on the luminescent signal responses mediated by carbohydrate-lectin recognition interactions using the synthesized C3-modified glycoconjugates, laying groundwork for advanced glycan-based biosensing platforms. Chemistry ; Surface modification ; Rational design ; Glycan ; Combinatorial chemistry ; Click chemistry ; Nanotechnology ; Biochemistry Carbohydrate Chemistry and Synthesis ; Glycosylation and Glycoproteins Research ; Click Chemistry and Applications
Authors: Sherzod Kurbanbekov | Tulkinzhon Gaipov | Pulat Saidakhmetov | A. Tazhibayev | Sherzod Ramankulov | Sattarbek Bekbayev | A. N. Abdimutalip | Dilnoza Baltabayeva
Source: Lubricants (article, 2025-07-06)
Field: Materials Science — Materials Chemistry

Microstructure, Phase Components, and Tribological Properties of Al65Cu20Fe15 Quasicrystal Coatings Deposited by HVOF Quasicrystalline coatings based on Al65Cu20Fe15 are of increasing interest as potential alternatives to conventional wear-resistant materials due to their unique structural and tribological properties. This study explores the influence of air pressure during high-velocity oxy-fuel (HVOF) spraying on the phase composition, morphology, and wear behavior of Al65Cu20Fe15 coatings deposited on U8G tool steel. Coatings were applied at a fixed spraying distance of 350 mm using three air pressures (1.9, 2.1, and 2.3 bar), with constant propane (2.0 bar) and oxygen (2.1 bar) supply. X-ray diffraction analysis identified the formation of Al78Cu48Fe14 and Al0.5Fe1.5 phases, while scanning electron microscopy revealed a dense, uniform microstructure with low porosity and homogeneous element distribution across all samples. Tribological testing using the ball-on-disk method showed wear track widths ranging from 853.47 to 952.50 µm, depending on the air pressure applied. These findings demonstrate that fine-tuning the air pressure during HVOF spraying significantly influences the structural characteristics and wear resistance of the resulting quasicrystalline coatings, highlighting their promise for advanced surface engineering applications. Tribology ; Quasicrystal ; Microstructure ; Thermal spraying ; Materials science ; Phase (matter) ; Metallurgy ; Composite material ; Nanotechnology ; Coating ; Crystallography ; Chemistry Quasicrystal Structures and Properties ; Metallic Glasses and Amorphous Alloys ; Solidification and crystal growth phenomena
Authors: A. Naifar | C.A. Duque | K. Hasanirokh
Source: Physica B Condensed Matter (article, 2025-06-09)
Field: Materials Science — Materials Chemistry

Optical conductance and polarization of the monolayer graphene in the presence of Rashba spin orbit interaction and electromagnetic wave Condensed matter physics ; Conductance ; Polarization (electrochemistry) ; Spin–orbit interaction ; Graphene ; Physics ; Spin polarization ; Rashba effect ; Monolayer ; Materials science ; Spintronics ; Quantum mechanics ; Electron ; Ferromagnetism ; Nanotechnology Graphene research and applications ; Quantum and electron transport phenomena ; Topological Materials and Phenomena
Authors: Zhen Ge | Pengxin Pu | Haisong Feng | Mengjie Yu | Guanyi Zhang | Tianyong Liu | Xin Song | Shiquan Zhao | Lei Wang | Yusen Yang | Yibo Dou | Min Wei | Xin Zhang
Source: Chemical Engineering Journal (article, 2025-10-01)
Field: Materials Science — Materials Chemistry

Cracking the code of CO2 Photoreduction: Band engineering in BN for methane selectivity Band gap ; Doping ; Semiconductor ; Methane ; Photocatalysis ; Electronic band structure ; Yield (engineering) ; Catalysis ; Density functional theory 2D Materials and Applications ; Advanced Photocatalysis Techniques ; Graphene research and applications
Authors: Li Zhang | Lulin Zhang | Jingyuan Xu | Yunfei Luo | Jinghan Liu | Tianci Wu | Bo Hao
Source: ACS Applied Materials & Interfaces (article, 2025-03-24)
Field: Materials Science — Surfaces, Coatings and Films

Shape Memory Polymer Microtransfer Printing Stamp with Macro-Micro Adjustable Adhesion Superhydrophobic Surface Obtained by Laser Texturing The application of microtransfer technology to the manipulation process of microdevices is an area of current research. In the context of temperature-controlled microtransfer technology, the shape memory polymer (SMP) stamp plays a crucial role in microdevice manipulation, particularly surface adhesion. Aiming at the current problems such as the complexity and high cost of the SMP surface microstructure preparation process and the difficulty of surface adhesion adjustment leading to the inflexibility of microdevices pick and release, this study investigated the nanosecond ultraviolet (UV) laser ablation of superhydrophobic structures on the surface of SMP stamps and the adjustment of the surface macro-micro adhesion. The surface of the SMP stamp was ablated by laser direct writing to form a microgrid structure, which was then chemically modified to realize the superhydrophobic property of the originally hydrophilic stamp. It was found that when the surface microstructure of the SMP stamp was subjected to vertical thermal pressure, the surface microstructure of the stamp was deformed. The hydrophobicity of the whole stamp surface was weakened, and the surface adhesion was changed. Due to the shape memory property of the SMP stamp, the original microstructure state can be restored by simple heating, and the surface is still superhydrophobic after many cycles of vertical thermal pressure recovery. In this study, the superhydrophobic preparation process of the stamp surface is greatly simplified. The fine-tuning of the adhesion and wettability of the stamp surface is accomplished by changing the temperature. The macro-tuning of the stamp surface is accomplished by the regionalized design. Finally, in-plane programmable microtransfer printing was realized according to the established graphic layout of the microdevice. The macro-micro tunable adhesion superhydrophobic SMP microtransfer stamp surface has many applications in microdevice manipulation, microelectronic device assembly, and microelectromechanical system construction (MEMS). Materials science ; Microstructure ; Adhesion ; Wetting ; Nanotechnology ; Composite material ; Polymer ; Context (archaeology) ; Shape-memory polymer Surface Modification and Superhydrophobicity ; Laser Material Processing Techniques ; Nanofabrication and Lithography Techniques
Authors: Jinguo Long | Mingdong Jiao | Ting Wang | Xianjie Fang
Source: Angewandte Chemie (article, 2025-05-06)
Field: Chemistry — Inorganic Chemistry

Enantioselective Divergent Cyclization of Amide‐Type 1,6‐Enynes Enabled by H–[Pd]–CN Catalysis Abstract Enantioselective cyclization of 1,6‐enynes has been extensively developed as it offers an effective way to obtain chiral cyclic compounds. Herein, we report a divergent palladium‐catalyzed enantioselective cyclization of N ‐allyl‐substituted propiolamides, which allows for the efficient synthesis of chiral γ ‐lactams bearing a quaternary stereogenic center. Three distinctive cyclization strategies, namely, hydrocyanative cyclization, cyclization/Heck reaction, and cyclization/Heck/hydrocyanation, were successfully developed. The product can be selected by using different initial substrates under the same catalytic conditions or by fine‐tuning the reaction conditions for the same initial substrate. This catalytic system boasts broad substrate scope and wide functional‐group compatibility, where a diverse range of substituents on the aryl group and amide nitrogen atom were tolerated. The combination of experimental studies and theoretical calculations revealed the fundamental role of the ligand in regioselectivity and the role of H 2 O in the sequential cyclization/Heck/hydrocyanation reactions. H 2 O can lower the energy barrier of the reductive elimination step, thus promoting the reaction toward the target product formation. Enantioselective synthesis ; Catalysis ; Amide ; Chemistry ; Combinatorial chemistry ; Stereochemistry ; Organic chemistry Asymmetric Hydrogenation and Catalysis ; Catalytic C–H Functionalization Methods ; Catalytic Alkyne Reactions
Authors: Runlin Zhu | Zhaoqi Gu | Tianci Shen | Yifei Liu | Zhangxing Shi | Shuangyi Linghu | Fuxing Gu
Source: Laser & Photonics Review (article, 2025-06-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

In Situ Dynamic Spatial Reconfiguration of Nanoplasmonics Using Photothermal‐Shock Tweezers Abstract Dynamic reconfiguration is crucial for nanoplasmonic structures to achieve diversified functions and optimize performances; however, the dynamic reconfiguration of spatial arrangements remains a formidable technological challenge. Here, in situ dynamic spatial reconfiguration of plasmonic nanowire devices and circuits on dry solid substrates is demonstrated, by harnessing a photothermal‐shock tweezers platform. Owing to its versatility, nanoscale precision, real‐time operation, and large external output force, the multimodal platform enables dexterous fine‐tuning of positions, overlap lengths, and coupling distances and orientations of discrete components in situ. Spatial position‐dependent optical properties that are reported before or are challenging to achieve through traditional micro/nanomanipulation are easily tuned and observed, such as the intensity evolution of axial photon‐plasmon coupling from near field to far field, and the resonant mode evolution of photonic cavity‐plasmonic cavity coupling from weak to strong. The nanorobotic probe‐based operation mode is also employed to optimize the side‐mode suppression ratios of single‐mode lasers and the intensity splitting ratios of 3‐dB couplers. The results are general and applicable to materials of almost any size, structure, and material type, as well as other narrow or curved micro/nano‐waveguide surfaces, which opens new avenues for reconfigurable nanoplasmonic structures with dynamically tunable spatial features. Photothermal therapy ; Control reconfiguration ; In situ ; Tweezers ; Optical tweezers ; Nanotechnology ; Materials science ; Photothermal effect ; Chemistry ; Computer science ; Physics ; Optics ; Embedded system Gold and Silver Nanoparticles Synthesis and Applications ; Orbital Angular Momentum in Optics ; Plasmonic and Surface Plasmon Research
Authors: Kehao Fan | Sheng Wang | Lily Huang | Xinyue Cui | Qing Lin | Ningjing Sun | Zhiyong Qin
Source: International Journal of Biological Macromolecules (article, 2025-09-22)
Field: Materials Science — Biomaterials

Programmable gradient-crosslinked chitosan films with dialdehyde cellulose nanocrystals and vanillic acid for extending blueberry shelf life Chitosan ; Biopolymer ; Vanillic acid ; Cellulose ; Shelf life ; Antioxidant ; Ultimate tensile strength Nanocomposite Films for Food Packaging ; Postharvest Quality and Shelf Life Management ; Lignin and Wood Chemistry
Authors: Xiaoyu Fan | Ergui Luo | Wenjuan Wang | Zhi Du | Yi Deng | Di Huang
Source: Chinese Chemical Letters (article, 2025-11-01)
Field: Materials Science — Materials Chemistry

Nanozyme-armed probiotics: Mastering redox modulation for synergistic therapy Biosafety ; Catalysis ; Nanomaterials ; Reactive oxygen species ; Clinical Practice Advanced Nanomaterials in Catalysis ; Nanoplatforms for cancer theranostics ; Nanocluster Synthesis and Applications