jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Thi Bui | Nguyen Quang Liem | Van Cuong Nguyen | Trong Tang Nguyen | Huu Phuc Dang
Source: BULLETIN OF CHEMICAL REACTION ENGINEERING AND CATALYSIS (article, 2025-04-24)
Field: Materials Science — Materials Chemistry

Tunable Optical and Photoluminescence Properties of Metal X (Ni, Co, Mn, Ag)-Doped ZnSe Quantum Dots: Structural, Spectroscopic, and Colorimetric Analysis This study explores the impact of Ni, Co, Mn, and Ag doping on the optical and photoluminescence properties of ZnSe quantum dots (QDs). Structural analysis confirms successful dopant incorporation, with XRD revealing lattice strain-induced shifts. Optical studies show that Ni²⁺ and Co²⁺ induce blue shifts, while Mn²⁺ and Ag⁺ create redshifted emissions. Photoluminescence analysis demonstrates that Mn²⁺ doping enhances quantum efficiency to 49.52% via the 4T1 → 6A1 transition. Ag+-doped ZnSe exhibits blue-shifted emissions but suffers from defect-related non-radiative losses. CIE color coordinates validate tunable emissions, confirming potential applications in LEDs, displays, and bioimaging. These findings provide insights into dopant-induced band structure modifications, advancing the design of high-performance luminescent materials for optoelectronics. Copyright © 2025 by Authors, Published by BCREC Publishing Group. This is an open access article under the CC BY-SA License (https://creativecommons.org/licenses/by-sa/4.0). Photoluminescence ; Quantum dot ; Doping ; Materials science ; Metal ; Optoelectronics ; Metallurgy Quantum Dots Synthesis And Properties ; Chalcogenide Semiconductor Thin Films ; Nanocluster Synthesis and Applications
Authors: Wenjing Li | Fan Ma | Bruno M. Aramburu-Trošelj | Jia‐Wei Wang | Gangfeng Ouyang
Source: Chemistry - A European Journal (review, 2025-04-17)
Field: Materials Science — Materials Chemistry

Molecular Hybrid Photocatalysts for CO<sub>2</sub> Photoreduction by Hybridization of Molecular Catalysts and Photoactive Covalent Organic Frameworks – A Review Photocatalytic reduction of CO<sub>2</sub> to obtain storable fuels is an effective way to fix and utilize greenhouse gas CO<sub>2</sub>, ultimately achieving a carbon-free energy cycle. The core of this goal lies the development of efficient, sustainable, and economically practical catalysts and light absorbers. Currently, hybrid photocatalytic systems that immobilize molecular catalysts on covalent organic frameworks (COFs) are of intensified interest, as this strategy enables the simultaneous exploitation of the catalytic properties of high-performance molecular catalysts, together with the durability of heterogeneous semiconductors, based on the readily available synthetic tunability of both components. This review focuses on the significant progress and challenges that have been overcome for the photocatalytic CO<sub>2</sub> reduction reaction, mediated by COFs hybridized with molecular catalysts, aiming to provide strong guidance for innovative utilization towards sustainable photocatalytic CO<sub>2</sub> reduction in the future. Photocatalysis ; Catalysis ; Materials science ; Nanotechnology ; Covalent bond ; Hybrid material ; Durability ; Chemistry ; Organic chemistry Covalent Organic Framework Applications ; CO2 Reduction Techniques and Catalysts ; Advanced Photocatalysis Techniques
Authors: Alicja Wzorek | Taizo Ono | Daniel Baecker | W Zhang | Vadim Soloshonok
Source: Ukrainian Chemistry Journal (article, 2025-12-25)
Field: Chemistry — Organic Chemistry

ELECTROCHEMICAL SYNTHESIS OF FLUORINATED HETEROCYCLIC COMPOUNDS Fluorine-containing heterocycles play a crucial role in the pharmaceutical, agrochemical, and materials industries. The pursuit of effective and sustainable synthesis methods has dri­ven the development of electrochemistry as a compelling alternative to conventional chemical transformations. Among these approaches, electrochemistry has emerged as a particularly promising technique for orchestrating multibond-forming processes under mild, environmentally benign conditions. This review highlights key advances over the past decade in the electrochemical synthesis of fluorinated heterocyclic compounds, encompassing bimolecular, trimolecular, and tetramolecular reactions. Emphasis is placed on multicomponent cascade strategies, radical-mediated couplings, and oxidant-free cyclizations that afford broad functional group tolerance and fluorine incorporation flexibility. Collectively, this work serves as a resource for researchers developing next-generation sustainable synthetic platforms tailored to fluorinated heterocycles with diverse structural and biological profiles. Electrochemistry ; Fluorine ; Chemical synthesis ; Work (physics) ; Cascade ; Resource (disambiguation) Radical Photochemical Reactions ; Fluorine in Organic Chemistry ; Sulfur-Based Synthesis Techniques
Authors: Jian Li | Feng Tian | Kun Wang | Min Ji | Zihao Ge | Yinshan Xie | Ming Xie | Liangliang Dong
Source: Energy & environment materials (article, 2025-08-25)
Field: Materials Science — Materials Chemistry

Bimetal Enhanced Covalent Organic Frameworks Catalytic Membranes for Concurrent Conversion and Separation Traditional nanofiltration membranes face challenges such as membrane fouling and difficulties in achieving precise separation of small organic molecules. A promising solution to these issues is the preparation of thin‐film nanocomposite membranes. In this study, Cu and Ag bimetals were incorporated into covalent organic frameworks to fabricate thin‐film nanocomposite membranes. The hydrophilic monomer 1,3,5‐tris(4‐aminophenyl) benzene of covalent organic frameworks was introduced as a water phase monomer during interfacial polymerization to enhance the organic–inorganic compatibility. The incorporated covalent organic frameworks within the thin‐film nanocomposite membrane loosened the selective layer, resulting in an enhanced permeability of 24.6 LMH bar −1 . The membrane exhibited a rejection rate over 99.0% for Congo Red, Xylene Brilliant Cyanine G, and Reactive Blue, while exhibiting relatively low rejection rates of MgCl 2 and NaCl. Moreover, the outstanding catalytic capability of the incorporated bimetals led to a 4‐nitrophenol conversion rate of 84.38%, enabling simultaneous conversion and separation. The integration of covalent organic frameworks and bimetals also imparted robust antibacterial properties, significantly enhancing operational stability. In conclusion, the covalent organic framework‐Cu/Ag‐based thin‐film nanocomposite membrane demonstrated superior catalytic and separation capabilities, presenting a promising alternative for advanced filtration applications. Bimetal ; Membrane ; Covalent bond ; Catalysis ; Separation (statistics) ; Covalent organic framework ; Metal-organic framework ; Chemistry ; Chemical engineering ; Materials science ; Organic chemistry ; Computer science ; Engineering ; Biochemistry ; Composite material Covalent Organic Framework Applications ; Membrane Separation and Gas Transport ; Metal-Organic Frameworks: Synthesis and Applications
Authors: Qinhua Rao | Hebo Ye | Peng He | Lei You
Source: Organic Chemistry Frontiers (article, 2025-10-08)
Field: Chemistry — Spectroscopy

Photoswitchable anion recognition <i>via</i> synergy between chalcogen bonding and hydrogen bonding This study presents a reversible photochemical strategy with synergistic noncovalent interactions for controllable anion recognition, offering an effective approach for the development of photo-responsive supramolecular systems. Chalcogen ; Supramolecular chemistry ; Hydrogen bond ; Non-covalent interactions ; Ion ; Photochromism Molecular Sensors and Ion Detection ; Analytical Chemistry and Sensors ; Advanced Chemical Sensor Technologies
Authors: Xinxin Li | Jiawu Huang | Cuiting Yang | Xingjie Wang | Xuan Wei | Xiaoying Zhou | Hao Tang | Jing Xiao
Source: AIChE Journal (article, 2025-06-10)
Field: Chemistry — Inorganic Chemistry

Probing bimodal sub‐nanopores in carbon for ideal fast sieving separation of propylene/propane Abstract Rigid molecular sieve is highly desirable in industrial gas separation, but persistently challenged by sluggish adsorption within inherent rigidity‐confined narrow sieving pores. Herein, we report a rigid carbon‐based molecular sieve featuring ink‐bottle bimodal sub‐nanopores for the ideal fast sieving separation of propylene/propane mixture. The tailor‐made narrow pore entrance, centered at 5.0 Å, affords precise sieving capacity for propylene over propane with a high selectivity exceeding 200. Concurrently, the larger cavity located at 6.4 Å allows the exceptional fast adsorption kinetics of propylene. The measured diffusion coefficient of propylene (4.2 × 10–3 s −1 ) is one to two orders of magnitude higher than state‐of‐the‐art rigid molecular sieves and comparable to the non‐steric diffusion observed in mesoporous zeolite. High‐purity C 3 H 6 production (&gt;99.2%) is achieved in breakthrough experiments through a single adsorption–desorption cycle. This study paves an avenue to unlock rigid molecular sieves toward advanced separation of challenging gas analogues. Propane ; Ideal (ethics) ; Chemical engineering ; Nanopore ; Carbon fibers ; Materials science ; Nanotechnology ; Chemistry ; Polymer science ; Organic chemistry ; Composite material ; Engineering Zeolite Catalysis and Synthesis ; Nanopore and Nanochannel Transport Studies ; Mesoporous Materials and Catalysis
Authors: Fáinché Murphy | Madeleine Bell | E.A. Aitken | Brian G. McMillan | Catherine Weetman
Source: Dalton Transactions (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Probing the redox chemistry of β-diketiminate supported aluminium complexes A combined electrochemical and synthetic investigation was undertaken to probe aluminium's redox capabilities. Reduction from Al(III) to Al(I) occurs in a stepwise manner <i>via</i> Al(II). The highly reactive Al(I) species induces a catalytic electrochemical-chemical (EC') reaction, however, reversible redox processes are observed in the individual steps [Al(III)↔Al(II) and Al(II)↔Al(I)]. Redox ; Chemistry ; Aluminium ; Inorganic chemistry ; Polymer chemistry ; Organic chemistry Organometallic Complex Synthesis and Catalysis ; Chemical Synthesis and Analysis ; Chemistry and Chemical Engineering
Authors: Jorge Labella | Kobra Azizi | Dirk M. Guldi | Tomás Torres⊗
Source: Advanced Materials (article, 2025-10-21)
Field: Materials Science — Materials Chemistry

Azaporphyrinoid‐Based Photo‐ and Electroactive Architectures for Advanced Functional Materials Over the past two decades, a productive collaboration between the Torres and Guldi groups-at the Department of Organic Chemistry and the IAdChem Institute at Universidad Autónoma de Madrid, in collaboration with IMDEA Nanoscience, and the Interdisciplinary Center for Molecular Materials (ICMM) and FAU Profile Center Solar at Friedrich-Alexander-Universität Erlangen-Nürnberg, respectively-has led to the development of a rich portfolio of azaporphyrinoid-based photo- and electroactive architectures. These efforts have focused on the design and study of nanomaterials-including graphene and related 2D systems, smart stimuli-responsive platforms, and nanostructured hybrids-with promising applications in energy, sustainability, electronics, and biomedicine. By combining expertise in synthetic chemistry and excited-state dynamics, this partnership has enabled the construction of diverse donor-acceptor systems featuring phthalocyanines, subphthalocyanines, and related chromophores, covalently or supramolecularly integrated with fullerenes, carbon nanotubes, and graphene derivatives. In this conspectus, a focused overview of these contributions is presented, illustrating how such molecular ensembles have served as powerful platforms to unravel fundamental processes in light and charge management, including charge separation, energy funneling, transport, and recombination. Systematic structure-function studies have revealed key relationships that underpin photophysical behavior and support the rational design of high-performance light-harvesting systems. Beyond discrete molecules, significant advances have also been made in their integration into nanostructured devices and stimuli-responsive materials for optoelectronic, photovoltaic, and biomedical applications. Graphene ; General partnership ; Rational design ; Solar energy conversion ; Fullerene ; Design elements and principles Porphyrin and Phthalocyanine Chemistry ; Fullerene Chemistry and Applications ; Graphene research and applications
Authors: Fulvio Varamo | Anna Katharina Beine
Source: Advanced Synthesis & Catalysis (article, 2025-09-27)
Field: Chemistry — Organic Chemistry

N‐Containing Carbon Materials in Metal‐Free and Non‐Noble Metal Liquid Phase Heterogenous Catalysis Non‐noble metal and metal‐free catalysts can be of great benefit for the development of economically and environmentally sustainable chemical processes. In this context, N‐containing carbon materials serve both as effective catalyst supports and standalone catalysts, offering enhanced stability by mitigating deactivation mechanisms such as metal leaching and sintering. The review is primarily organized by non‐noble metal, systematically covering each case in which their use as an active phase on N‐containing carbon materials has been reported in literature. In parallel, cross‐cutting aspects are examined throughout, including the role of different N‐functionalities (graphitic, pyridinic, pyrrolic, and pyridinic‐N‐oxide) in active‐phase stabilization mechanisms. Structurally diverse carbon materials—such as amorphous carbon, carbon nanotubes, carbon spheres, carbon nanofibers, and graphene—are also considered. Furthermore, the influence of preparation methods, including template‐free, hard‐templating and soft‐templating techniques, is analyzed with emphasis on their role in tuning textural properties. Despite significant progress, uncertainties remain regarding the precise stabilization mechanisms and the relative contributions of different N‐functionalities to catalytic activity and surface acid–base properties. Addressing these knowledge gaps will be essential for optimization of N‐containing carbon materials and to drive the transition towards greener and more sustainable catalytic technologies. Catalysis ; Carbon fibers ; Leaching (pedology) ; Liquid phase ; Metal ; Transition metal ; Phase (matter) Nanomaterials for catalytic reactions ; Catalytic Processes in Materials Science ; Asymmetric Hydrogenation and Catalysis
Authors: Titus de Haas | Kaijian Zhu | Joannes M. van der Sterre | Yusen Luo | Guido Mul | Francesco Buda | Annemarie Huijser
Source: The Journal of Physical Chemistry C (article, 2025-03-27)
Field: Materials Science — Polymers and Plastics

Effects of Nuclear Motion on the Photoinduced Interfacial Charge Transfer Dynamics at a NiO/P1 Photocathode The performance of dye-sensitized photoelectrochemical cells is presently limited by the photocathode component. Here, we investigate the impact of nuclear dynamics on the photoinduced charge separation of the benchmark NiO/P1 system (P1 = 4-(bis-4-(5-(2,2-dicyano-vinyl)-thiophene-2-yl)-phenyl-amino)-benzoic acid). Transient absorption (TA) studies in aqueous environments with different viscosities show that photoinduced hole injection either proceeds ultrafast (<100 fs) or in a sub-ps time window. We assign the fastest component to a surface species strongly coupled to the NiO. Interestingly, the slower injection component and charge recombination are slowed down considerably in more viscous media. Quantum-classical dynamics simulations of a system with the dye standing perpendicular to the surface yield an injection lifetime remarkably close to the slow component from kinetic modeling of the TA results. Simulations including nuclear thermal motion yield a 2-fold increase in hole transfer rate compared to simulations on fixed nuclei, highlighting the role of nuclear motion and providing new design principles for dye-sensitized photocathodes. Photocathode ; Dynamics (music) ; Charge (physics) ; Non-blocking I/O ; Motion (physics) ; Materials science ; Physics ; Chemistry ; Nuclear physics ; Classical mechanics ; Particle physics ; Electron Transition Metal Oxide Nanomaterials ; Photocathodes and Microchannel Plates ; TiO2 Photocatalysis and Solar Cells
Authors: Arvind Umarkar | Sandip Sapkal | Hemantkumar J Dhongade | Mangesh Ajabrao Mapari
Source: Current Trends in Pharmacy and Pharmaceutical Chemistry (article, 2025-05-05)
Field: Chemistry — Organic Chemistry

Review article on heterocyclic compounds with antimalarial activity Review article on heterocyclic compounds with antimalarial activity - CTPPC- Print ISSN No: - Online ISSN No:- 2582-5062 Article DOI No:- 10.18231/j.ctppc.2025.004, Current Trends in Pharmacy and Pharmaceutical Chemistry-Curr Trends Pharm Pharm Chem Chemistry ; Pharmacology ; Combinatorial chemistry ; Computational biology ; Traditional medicine ; Medicine ; Biology Synthesis and biological activity ; Synthesis and Characterization of Heterocyclic Compounds ; Chemical synthesis and pharmacological studies
Authors: M.A. Munawar | Fritjof Nilsson | Dirk W. Schubert
Source: Macromolecular Bioscience (article, 2025-08-17)
Field: Materials Science — Biomaterials

Size‐Dependent Elastic Modulus and Core–Shell Structural Characteristics of Electrospun Nanofibers This study investigates the size-dependent mechanical properties of electrospun polycaprolactone (PCL) nanofibers by analyzing the relationship between fiber diameter and Young's modulus. Experimental data reveal a clear inverse trend: as fiber diameter decreases, stiffness increases significantly, indicating strong surface and confinement effects at the nanoscale. Two theoretical models were employed to interpret the observed behavior: a simplified core-shell model (Model 1) and an extended model (Model 2) incorporating surface tension and curvature elasticity. Both models accurately fit the experimental data across a diameter range of 450-850 nm, with Model 2 providing slightly better agreement at intermediate diameters (∼600-750 nm), where surface mechanics become more prominent. The enhanced stiffness in thinner fibers is attributed to increased surface-to-volume ratio and tighter molecular packing, while larger fibers exhibit bulk-dominated mechanical responses. These findings highlight the importance of nanoscale geometry and surface effects in determining mechanical properties and suggest that fiber stiffness can be systematically tuned via diameter control during electrospinning. Materials science ; Electrospinning ; Composite material ; Stiffness ; Nanofiber ; Modulus ; Surface tension ; Nanoscopic scale ; Fiber ; Elasticity (physics) ; Polycaprolactone ; Elastic modulus ; Young's modulus ; Surface-area-to-volume ratio ; Core (optical fiber) ; Nanotechnology ; Polymer ; Thermodynamics Electrospun Nanofibers in Biomedical Applications ; Advanced Sensor and Energy Harvesting Materials ; Conducting polymers and applications
Authors: Shuo Liu | Yue Zhang | Zi-Song Zhao | Jiaqi Chu | Chen-Ning Li | Daqiang Yuan | Lin Liu | Zheng‐Bo Han
Source: ChemSusChem (article, 2025-04-12)
Field: Chemistry — Inorganic Chemistry

Tuning the Pore Microenvironment of Metal–Organic Frameworks for Boosting CO<sub>2</sub> Fixation The pore microenvironment plays an important role in catalytic systems, as it can regulate substrate transport, reactant molecule enrichment, and the strength of active centers, thereby affecting catalytic performance. However, the effect of pore sizes/functionality/Lewis acid strength on catalytic performance has still not been adequately and systematically investigated and summarized. Herein, a series of isostructural fcu-type metal-organic frameworks (MOFs) are used through a novel strategy to study the effect of subtle changes in pore microenvironment on the catalysis of carbon dioxide (CO<sub>2</sub>) cycloaddition at ambient temperature and pressure. The results of systematic experiments indicate that the enlargement of the pore size of MOFs, the access of pore wall functional groups, and the increase of Lewis acid strength of metal nodes can significantly improve the performance of the CO<sub>2</sub> cycloaddition reaction. The reaction mechanism catalyzed by fcu-type MOFs is investigated in detail, based on the experimental inferences and periodic calculations of density functional theory. This study provides a reference for designing of high-performance catalysts for CO<sub>2</sub> fixation. Boosting (machine learning) ; Metal-organic framework ; Carbon fixation ; Chemistry ; Nanotechnology ; Materials science ; Environmental science ; Carbon dioxide ; Computer science ; Organic chemistry ; Adsorption ; Artificial intelligence Metal-Organic Frameworks: Synthesis and Applications ; Enhanced Oil Recovery Techniques ; Medical Imaging Techniques and Applications
Authors: Carina Santos | Guillaume Bastien | Doroteja Lončarić | Martin Dračínský | Ivana Cı́sařová | Eric Masson | Jiřı́ Kaleta
Source: Chemical Science (article, 2025-01-01)
Field: Chemistry — Organic Chemistry

Surface inclusion and dynamics of cucurbit[7]uril-based supramolecular complexes A supramolecular complex acting as a molecular rotor was assembled from cucurbit[7]uril and a rigid, rod-shaped molecular anchor. This rotor was then anchored to the facets of a hexagonal tris(<i>o</i>-phenylenedioxy)cyclotriphosphazene matrix, forming a regular 2D array. Semi-empirical calculations revealed very low rotational barriers for the macrocyclic units within this array, suggesting smooth rotational motion and promising potential for future applications in dynamic molecular systems. Supramolecular chemistry ; Inclusion (mineral) ; Cucurbituril ; Surface (topology) ; Dynamics (music) ; Chemistry ; Chemical physics ; Crystallography ; Nanotechnology ; Materials science ; Physics ; Mathematics ; Mineralogy ; Geometry ; Crystal structure Supramolecular Chemistry and Complexes ; Mass Spectrometry Techniques and Applications ; Advanced NMR Techniques and Applications
Authors: Stephan Reuter | Tianhao Xue | Andreas Weis | Laura Spies | Sebastian Häringer | Andreas C. Jakowetz | Markus Döblinger | Dana D. Medina | Thomas Bein
Source: ChemRxiv (preprint, 2025-07-09)
Field: Materials Science — Materials Chemistry

Combinatorial Design of Benzodithiophene-Benzothiadiazole Building Blocks for Ultralarge Pore Optoelectronically Tunable Covalent Organic Frameworks While covalent organic frameworks (COFs) have attracted enormous attention in diverse fields due to their large molecular design space, tuning their optoelectronic properties is challenging due to complex synthetic pathways. Herein we establish a combinatorial synthetic strategy employing reactive donor and acceptor modules for the generation of extended linear COF building blocks, which already encode the key optoelectronic features of corresponding COFs. As a great diversity of COFs can be generated from linear building blocks and easily accessible multifunctional nodes, this strategy offers a novel entry into the synthesis of numerous COFs with tunable optoelectronic properties, and enabled us to construct highly crystalline and porous photoactive COFs and oriented COF films with ultralarge pores ranging from 5.5 to 7 nm. These pore systems allowed for inclusion of fullerene acceptor phases and construction of periodic bulk heterojunctions, offering a blueprint for generating novel COFs with emerging optoelectronic features and device architectures. Covalent bond ; Materials science ; Chemistry ; Organic chemistry Covalent Organic Framework Applications ; Conducting polymers and applications ; Advanced Computing and Algorithms