jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Xiaopeng Cheng | Yiming Xu | Xiao‐Liang Ye | Zhipeng Luo | Shipeng Zhu | Kefeng Li | Jiangfeng Lu | Guan‐E Wang | Gang Xu
Source: Nature Communications (article, 2025-07-18)
Field: Chemistry — Inorganic Chemistry

Strategic energy-level modulation in porous heterojunctions: advancing gas sensing through Type-I to Type-II transitions To significantly enhance reaction efficiency of porous heterojunctions in various applications, precise engineering of customization heterostructures through energy-level modulation is indispensable. Herein, the preparation of a core-shell porous heterojunction, UiO-66@TDCOF, is reported. Taking advantage of adjustable structure of metal-organic frameworks (MOFs), the energy-level of UiO-66 core is tailored to precisely align with that of porphyrin-based covalent organic framework (denoted as TDCOF) shell. As a results, the heterojunction transitions flexibly from a type-I to a type-II configuration, which remarkably enhances the efficiency of charge separation under light irradiation, resulting in exceptional performances in chemiresistive gas sensing. Notably, the sensitivity of (NH<sub>2</sub>)<sub>1.24</sub>-UiO-66@TDCOF towards NO<sub>2</sub> is at a high level among all reported heterojunctions under visible-light condition, surpassing the majority of previously reported MOF and COF materials. This research not only presents a strategy for the design of heterojunctions but also gives an approach to material design tailored for chemical applications. Heterojunction ; Materials science ; Porosity ; Covalent organic framework ; Optoelectronics ; Nanotechnology ; Composite material Metal-Organic Frameworks: Synthesis and Applications ; Covalent Organic Framework Applications ; Advanced Photocatalysis Techniques
Authors: Abeer Al Bawab | Muna Abu‐Dalo | Hussein Kanaan | Nathir A. F. Al‐Rawashdeh | Fadwa Odeh
Source: Water Science & Technology (article, 2025-01-15)
Field: Chemistry — Organic Chemistry

Removal of phenolic compounds from olive mill wastewater (OMW) by tailoring the surface of activated carbon under acidic and basic conditions Olive mill wastewater (OMW), a by-product of olive oil production, poses significant environmental risks due to its acidity and high polyphenol content, particularly in water-scarce regions like Jordan. This study developed a cost-effective approach to reduce the phenolic content in OMW using modified granular-activated carbon (GAC). Commercial GAC, chosen for its high surface area and adsorption capacity, was modified via oxidative treatment with concentrated nitric acid and reductive treatment using 10 wt.% ammonia solution. The modified GAC samples were tested for phenolic compound (PC) adsorption from OMW under varying surfactant types, concentrations, and pH levels using a batch method. The optimized conditions revealed that reduced GAC at pH 9 achieved the highest removal efficiency, reducing the phenolic content by 88% after 48 h. Surfactants had no significant effect on the performance of reduced GAC. Desorption tests after 7 and 32 days indicated a minimal release of PCs, confirming strong binding to the GAC surface. These findings demonstrate the potential of reduced GAC as a sustainable and cost-efficient solution for treating OMW, addressing the critical challenges in water resource management and environmental pollution in regions like Jordan. Chemistry ; Adsorption ; Wastewater ; Activated carbon ; Pulmonary surfactant ; Pulp and paper industry ; Phenols ; Nitric acid ; Activated charcoal ; Desorption ; Environmental engineering ; Inorganic chemistry ; Environmental science ; Organic chemistry ; Biochemistry Edible Oils Quality and Analysis ; Date Palm Research Studies ; Cultural Heritage Materials Analysis
Authors: Jinjun Chen | Zonglin Gu | Jose Manuel Perez‐Aguilar | Yanbo Luo | Kuifeng Tian | Yuqi Luo
Source: Scientific Reports (article, 2025-01-02)
Field: Chemistry — Inorganic Chemistry

Molecular dynamics simulations reveal efficient heavy metal ion removal by two-dimensional Cu-THQ metal-organic framework membrane Two-dimensional (2D) metal-organic frameworks (MOFs) have been extensively utilized across various research areas. However, the application of 2D MOF-based membranes for the removal of heavy metal ions remains largely unexplored, despite their potential as suitable candidates due to their inherent porosity. In this study, we employed molecular dynamics (MD) simulations to investigate the capacity of a typical 2D MOF, Cu-THQ, for the separation of heavy metal ions, including Cd²⁺, Cu²⁺, Hg²⁺, and Pb²⁺. Our MD results demonstrate that single-layered Cu-THQ MOF membranes exhibit excellent performance in heavy metal ion removal, with nearly 100% ion rejection while also allowing high water permeability. Free energy calculations confirm that water transport through the Cu-THQ membrane is energetically more favorable compared to the transport of heavy metal ions. Further simulations of multilayered Cu-THQ membranes indicate that increasing the number of Cu-THQ MOF layers hinders water molecule transport, resulting in a reduction in water permeability due to a more widespread adsorption, that is primarily driven by electrostatic interactions within the membrane pores. Therefore, our simulations not only identify a promising MOF membrane candidate for efficient heavy metal ion removal but also suggest an optimal MOF construction scheme, which provide beneficial information for future applications in the sieving field. Metal ; Membrane ; Molecular dynamics ; Dynamics (music) ; Metal ions in aqueous solution ; Copper ; Biological system ; Materials science ; Chemistry ; Environmental chemistry ; Metallurgy ; Biology ; Computational chemistry ; Biochemistry ; Physics Metal-Organic Frameworks: Synthesis and Applications ; Advancements in Battery Materials ; Extraction and Separation Processes
Authors: Jarrod R. Thomas | Scott A. Sulway
Source: CrystEngComm (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Advancements in mononuclear dysprosium-based single-molecule magnets <i>via</i> synthetic and molecular engineering Recent advancements of mononuclear dysprosium-based single-molecule magnets, and the strategies to said advancements, are highlighted within this article. Dysprosium ; Magnet ; Materials science ; Molecule ; Molecular magnets ; Molecular engineering ; Combinatorial chemistry ; Nanotechnology ; Chemistry ; Engineering ; Organic chemistry ; Mechanical engineering ; Inorganic chemistry ; Physics ; Magnetic field ; Magnetization Magnetism in coordination complexes ; Magnetic properties of thin films
Authors: M. Rakshita | Aachal A. Sharma | Payal P. Pradhan | K. A. K. Durga Prasad | M. Srinivas | D. Haranath
Source: Materials Advances (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Fabrication and characterization of rare earth-free nanophosphor based devices for solid-state lighting applications A luminescent Zn 3 V 2 O 8 nanophosphor material for advanced white light-emitting diodes with high quantum yield. Rare earth ; Characterization (materials science) ; Solid-state lighting ; Fabrication ; Solid-state ; Materials science ; Nanotechnology ; Engineering physics ; Optoelectronics ; Light-emitting diode ; Engineering ; Metallurgy Quantum Dots Synthesis And Properties ; Luminescence Properties of Advanced Materials ; Perovskite Materials and Applications
Authors: Ashanie Herath | Mason McAnally | Andrew M. Turner | Jia Wang | Joshua H. Marks | Ryan C. Fortenberry | Jorge C. Garcia-Alvarez | Samer Gozem | Ralf I. Kaiser
Source: Nature Communications (article, 2025-07-01)
Field: Chemistry — Organic Chemistry

Missing interstellar sulfur in inventories of polysulfanes and molecular octasulfur crowns The disparity between predicted sulfur abundances and identified reservoirs of sulfur in cold molecular clouds, also known as the sulfur depletion problem, has remained an ongoing debate over decades. Here, we show in laboratory simulation experiments that hydrogen sulfide (H<sub>2</sub>S) can be converted on ice-coated interstellar grains in cold molecular clouds through galactic cosmic rays processing at 5 K to sulfanes (H<sub>2</sub>S<sub>n</sub>; n = 2-11) and octasulfur (S<sub>8</sub>). This locks the processed hydrogen sulfide as high-molecular weight sulfur-containing molecules thus providing a plausible rationale for the fate of the missing interstellar sulfur. These sulfuretted molecules may undergo fractionated sublimation once the molecular cloud transforms into star forming regions. The isomeric identification of octasulfur rings (S<sub>8</sub>) coincides with the recent identification of elementary sulfur in the carbonaceous asteroid (162173) Ryugu, thus providing compelling evidence on the link between sulfur in cold molecular clouds and in our Solar System with, e.g., the Taurus Molecular Cloud (TMC) potentially accumulating an equivalent of 350 Earth masses of octasulfur. Astrobiology ; Sulfur ; Environmental science ; Physics ; Materials science ; Metallurgy Organic Chemistry Cycloaddition Reactions ; Advanced Chemical Physics Studies ; Molecular Junctions and Nanostructures
Authors: Subhasis Paul | Adam Richardson | Leslie T. Buck | Giovanni Centonze | Roberta Coccia | Francesca Sardelli | Mattia Silvi
Source: Angewandte Chemie Novit (article, 2025-06-01)
Field: Chemistry — Organic Chemistry

Thianthrenium Salt‐Mediated Homologative 1,3‐Dielectrophilic Activation Strategy for Alkene Difunctionalization Abstract The chemical introduction of heteroatoms via alkene difunctionalization (e.g., dihydroxylation, diamination, dihalogenation) is a traditional route to convert abundant olefins into highly functionalized building blocks. While the transformation of unactivated alkenes to difunctionalized products bearing the newly installed heteroatom handles in 1,2‐relationship is well established, access to the corresponding 1,3‐pattern remains elusive. Herein, we disclose a thianthrenium salt–mediated homologative dielectrophilic activation method for unactivated alkenes with wide functional group tolerance. The strategy opens access to 1,3‐diazides, diamines, diols, dihalides, dithiols as well as to the full matrix of their heterodifunctionalized products from abundant olefins. At the core of our strategy is the design of a novel sulfonium atom‐transfer reagent, which undergoes selective bond cleavage to reveal a methyl thianthrenium radical, a versatile electrophilic homologative synthon which is unprecedented in synthesis. Alkene ; Chemistry ; Salt (chemistry) ; Combinatorial chemistry ; Organic chemistry ; Catalysis Radical Photochemical Reactions ; Sulfur-Based Synthesis Techniques ; Catalytic C–H Functionalization Methods
Authors: Y. F. Zhang | Di Lan | Zihan Wang | Guodong Xu | Ziwen Gao | Guixian Bu | Xiaozhong Zhong | Pengfei Yin
Source: Advanced Composites and Hybrid Materials (article, 2025-10-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Modulation of magnetodielectric equilibrium in porous biochar embedded with MOF-derived CeO2/Fe3O4 for excellent electromagnetic absorption and anti-microbial properties The design of electromagnetic wave absorbing composites is an important approach for achieving radar stealth and anti-electromagnetic interference. However, the bacterial metabolic byproducts can corrode the components and micro-structures of absorbers as employed in a bacteria-rich environment, thereby progressively reducing their absorption properties. To address this problem, herein the biomass-derived porous carbon decorated with magnetic Fe3O4 and dielectric CeO2 deriving from Ce-UIO-66 was obtained via co-solvothermal and calcination route. The thin-walled porous biological carbon can not only dissipate incident microwave by scattering effect, but also act as carrier to provide sufficient dielectric properties. The co-modification of CeO2 and Fe3O4 with varied doping of Fe3+ promotes the magnetodielectric equilibrium for better impedance matching, which can couple multi-ply mechanisms of dielectric polarization, conduction dissipation, eddy-current and natural resonance loss to achieve outstanding microwave absorption. The maximum RL value reaches -60.60 dB at 15.69 GHz for 2.00 mm thickness and the widest EAB is 6.41 GHz for only 2.19 mm thickness, the simulation proves the reduction of radar cross section within wide range of incident angles as well. Moreover, the ROS generated from abundant oxygen vacancies in absorber can realize high anti-bacterial efficiencies of 82.70% and 91.60% against S. aureus and E. coli, respectively. Hence, the work proposes a novel insight to design antibacterial electromagnetic absorbers for application in complex bacterial environment. Microwave ; Dielectric ; Absorption (acoustics) ; Radar cross-section ; Scattering ; Electromagnetic radiation ; Porosity ; Dielectric loss ; Aerogel Electromagnetic wave absorption materials ; Multiferroics and related materials ; Dielectric materials and actuators
Authors: Meng Qiu | Jing Du | Nai‐Te Yao | Xin-Yue Wang | Han‐Yuan Gong
Source: Beilstein Journal of Organic Chemistry (review, 2025-07-11)
Field: Chemistry — Organic Chemistry

Advances in nitrogen-containing helicenes: synthesis, chiroptical properties, and optoelectronic applications Helicenes, a class of non-planar polycyclic aromatic hydrocarbons composed of <i>ortho</i>-fused aromatic rings forming helical architectures, have attracted considerable attention due to their intrinsic chirality and tunable optoelectronic properties. Among them, nitrogen-doped helicenes (azahelicenes) and their heteroatom-co-doped counterparts - such as B/N-, O/N-, S/N-, and Se/N-doped helicenes - have emerged as highly versatile scaffolds for chiral optoelectronic applications. The incorporation of nitrogen enables precise modulation of electronic structures, redox characteristics, and intermolecular interactions, thereby enhancing performance in circularly polarized luminescence (CPL), thermally activated delayed fluorescence (TADF), and chiral sensing. Notably, recent developments have yielded π-extended, structurally robust, and stimuli-responsive azahelicenes exhibiting record-high dissymmetry factors (|<i>g</i> <sub>abs</sub>| and |<i>g</i> <sub>lum</sub>|), elevated CPL brightness (<i>B</i> <sub>CPL</sub>), and efficient integration into CPL-OLEDs and redox-switchable emitters. Boron-nitrogen co-doping strategies, in particular, have facilitated the development of materials with ultra-narrowband emissions, near-unity photoluminescence quantum yields, and electroluminescence dissymmetry factors (|<i>g</i> <sub>EL</sub>|) exceeding 10<sup>-3</sup>. Likewise, heteroatom co-doping with oxygen, sulfur, or selenium enables spectral tuning across the visible to near-infrared range, improved photostability, and dual-state emissive behavior. In parallel, significant progress in synthetic methodologies - including enantioselective catalysis, electrochemical cyclizations, and multicomponent reaction systems - has granted access to increasingly complex helicene frameworks with well-defined chirality. This review systematically summarizes recent advancements in the synthesis, structural engineering, and chiroptical performance of nitrogen-doped helicenes and their heteroatom-doped derivatives, emphasizing their potential as next-generation chiral optoelectronic materials and outlining future directions toward multifunctional integration and quantum technological applications. Heteroatom ; Chirality (physics) ; Chemistry ; Helicene ; Enantioselective synthesis ; Luminescence ; Photochemistry ; Doping ; Photoluminescence ; OLED ; Nanotechnology ; Combinatorial chemistry ; Optoelectronics ; Materials science ; Organic chemistry ; Catalysis ; Molecule Synthesis and Properties of Aromatic Compounds ; Axial and Atropisomeric Chirality Synthesis ; Photochromic and Fluorescence Chemistry
Authors: Léna Godec | Richard C. Knighton | Nadège Hamon | Waygen Thor | Ka‐Leung Wong | Raphaël Tripier | Loı̈c J. Charbonnière
Source: Journal of the American Chemical Society (article, 2025-08-13)
Field: Materials Science — Materials Chemistry

Heteropolynuclear Lanthanide(III) Complexes for Cooperative Sensitization Upconversion in Water We report the synthesis of a tritopic ligand, <b>L</b><sup><b>2</b></sup>, composed of two strongly binding lanthanide (Ln) sites using tris-functionalized triazacyclononane (tacn) scaffolds bridged by a weaker Ln binding triethylene glycol chain. Coordination chemistry of Ln<sup>3+</sup> (Ln = Eu, Tb, Yb, Lu) was investigated by using NMR and photoluminescent spectroscopies. The first two Ln<sup>3+</sup> ions are coordinated by the tacn scaffolds to form [Ln<b>L</b><sup><b>2</b></sup>] and [Ln<sub>2</sub><b>L</b><sup><b>2</b></sup>] species, followed by tri- and tetranuclear complexes, [Ln(Ln<sub>2</sub><b>L</b><sup><b>2</b></sup>)] and [Ln<sub>2</sub>(Ln<sub>2</sub><b>L</b><sup><b>2</b></sup>)]. The third and fourth exomacrocyclic binding events occur at the polyethylene glycol binding site, buttressed by a synergistic interaction of the phosphonate arms, confirmed by DFT modeling. [Ln<sub>2</sub><b>L</b><sup><b>2</b></sup>] (Ln = Tb, Eu, Yb, and Lu) homobimetallic complexes were prepared, and characterized and their spectroscopic properties determined in H<sub>2</sub>O and D<sub>2</sub>O. Titration of the [Yb<sub>2</sub><b>L</b><sup><b>2</b></sup>] dinuclear complex by Tb salts in D<sub>2</sub>O confirmed the formation of the tri- and tetranuclear species. Upon excitation into the <sup>2</sup>F<sub>5/2</sub> ← <sup>2</sup>F<sub>7/2</sub> absorption band of Yb at 980 nm, a cooperative sensitization upconversion process is evidenced, displaying visible Tb emission bands. Heating resulted in Ln scrambling in the tacn coordination sites, increasing the UC efficiency by ca. 10<sup>3</sup>. The most efficient emitter for UC is the tetranuclear [TbYb(TbYb<b>L</b><sup><b>2</b></sup>)], with one of each Ln<sup>3+</sup> species in the tacn scaffolds and one of each Ln<sup>3+</sup> species coordinated by the polyethylene glycol chain. Optimization on the pD led to an overall 9.0 × 10<sup>-7</sup> UC quantum yield (λ<sub>exc</sub> = 980 nm, <i>P</i> = 10.8 W·cm<sup>-2</sup>). The same experiment was repeated in water, affording UC at the molecular level. Chemistry ; Lanthanide ; Ligand (biochemistry) ; Phosphonate ; Polyethylene glycol ; Photon upconversion ; Crystallography ; Triethylene glycol ; Ion ; Polymer chemistry ; Organic chemistry Lanthanide and Transition Metal Complexes ; Luminescence Properties of Advanced Materials ; Luminescence and Fluorescent Materials
Authors: Qian He | Ruijiao Li | Jiawen Liu | Zewen Wu | Lin Liu | Bin Xu | Liyun Zhang
Source: Advanced Healthcare Materials (article, 2025-05-19)
Field: Materials Science — Materials Chemistry

Bioinspired Carbon Dots with Multi‐Enzyme Activity, Single‐Atom Catalytic, High Efficiency ROS Scavenging and Antioxidant Therapy for Rheumatoid Arthritis Carbon dots (CDs) with enzyme-like activity have garnered significant attention due to their ability to mimic the catalytic functions of natural enzymes, making them suitable for specific biochemical reactions in biological environments. However, the development of CDs with multi-enzyme activities remains a challenge due to the inherent complexity of incorporating multiple catalytic functions into a single nanostructure. Here, the synthesis of multi-enzyme active CDs are successfully demonstrated via a hydrothermal process utilizing hemin chloride and urea as precursors. Detailed structural and theoretical investigations reveal that the CDs possess a highly graphitized π-electron system and single-atom iron centers arranged in a monodisperse, four-coordinate configuration with nitrogen atoms. This distinctive structural configuration imparts CDs with multiple enzyme-like activities, including superoxide dismutase and catalase, which contribute to the efficient scavenging of reactive oxygen species. Furthermore, encapsulating these CDs within macrophage membranes enables selective targeting of inflammatory sites and circumvention of immune clearance in a collagen-induced arthritis rat model, offering a targeted and effective antioxidant therapy for rheumatoid arthritis. Antioxidant ; Reactive oxygen species ; Superoxide dismutase ; Catalysis ; Enzyme ; Catalase ; Chemistry ; Materials science ; Combinatorial chemistry ; Biochemistry Carbon and Quantum Dots Applications ; Advanced Nanomaterials in Catalysis ; Nanocluster Synthesis and Applications
Authors: Cristiane P. G. Calixto
Source: The Plant Journal (review, 2025-03-01)
Field: Chemistry — Physical and Theoretical Chemistry

Molecular aspects of heat stress sensing in land plants Heat stress impacts all aspects of life, from evolution to global food security. Therefore, it becomes essential to understand how plants respond to heat stress, especially in the context of climate change. The heat stress response (HSR) involves three main components: sensing, signal transduction, and cellular reprogramming. Here, I focus on the heat stress sensing component. How can cells detect heat stress if it is not a signalling particle? To answer this question, I have looked at the molecular definition of heat stress. It can be defined as any particular rise in the optimum growth temperature that leads to higher-than-normal levels of reactive molecular species and macromolecular damage to biological membranes, proteins, and nucleic acid polymers (DNA and RNA). It is precisely these stress-specific alterations that are detected by heat stress sensors, upon which they would immediately trigger the appropriate level of the HSR. In addition, the work towards thermotolerance is complemented by a second type of response, here called the cellular homeostasis response (CHR). Upon mild and extreme temperature changes, the CHR is triggered by plant thermosensors, which are responsible for monitoring temperature information. Heat stress sensors and thermosensors are distinct types of molecules, each with unique modes of activation and functions. While many recent reviews provide a comprehensive overview of plant thermosensors, there remains a notable gap in the review literature regarding an in-depth analysis of plant heat stress sensors. Here, I attempt to summarise our current knowledge of the cellular sensors involved in triggering the plant HSR. Heat stress ; Context (archaeology) ; Fight-or-flight response ; Reprogramming ; Stress (linguistics) ; Biology ; Cell biology ; Biochemical engineering ; Genetics ; Engineering ; Gene thermodynamics and calorimetric analyses ; Plant Stress Responses and Tolerance ; Photosynthetic Processes and Mechanisms