jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Mohammad Ghaderi | Huichao Bi | Kim Dam‐Johansen
Source: ACS Applied Materials & Interfaces (article, 2025-03-05)
Field: Chemistry — Inorganic Chemistry

Solvent-Assisted Ligand Exchange of the 2D Zeolitic Imidazolate Framework (ZIF-L): Fine-Tuning the Facet Ligands for Anticorrosive Coatings The cohybridization of metal-organic frameworks (MOFs), particularly zeolitic imidazolate framework-8 (ZIF-8), with two-dimensional (2D) nanomaterials has emerged as a promising approach to enhance both the barrier properties and active corrosion protection of epoxy (EP)-based coatings. However, the widespread use of these hybrid systems is hindered by environmental concerns associated with toxic methanol used in ZIF-8 synthesis, the limited accessibility of active sites, and the high production costs of 2D nanomaterials. Therefore, there is growing interest in developing alternatives that integrate the beneficial properties of MOFs and 2D materials while offering lower costs, greater environmental compatibility, and increased active site accessibility. Herein, a 2D leaflike zeolitic imidazolate framework (ZIF-L) was utilized as a low-cost, environmentally friendly alternative to ZIF-8 with dual functionality for active and barrier protection properties. The hydrophilicity of ZIF-L was fine-tuned through a facet ligand exchange with benzotriazole (BTA), which acted as both a surface modifier and a corrosion inhibitor. This solvent-assisted ligand exchange was validated by X-ray photoelectron spectroscopy (XPS) analysis. The BTA loading in BTA@ZIF-L was determined to be 14.43 wt %. Incorporating 1 wt % BTA@ZIF-L pigment into the EP matrix resulted in a higher cross-linking density compared to both blank/EP and ZIF-L/EP coatings, yielding ultrahigh impedance values (∼10<sup>11</sup> Ω cm<sup>2</sup>) at the lowest frequency, even after 4.5 months of immersion in a 3.5 wt % NaCl solution. Additionally, the active corrosion inhibition capability of the BTA@ZIF-L/EP coating was demonstrated through electrochemical impedance spectroscopy (EIS) analysis of scratched coatings, showing a 130% increase in the total resistance relative to blank/EP, which was further validated by salt spray testing. Materials science ; Zeolitic imidazolate framework ; Ligand (biochemistry) ; Facet (psychology) ; Solvent ; Imidazolate ; Metal-organic framework ; Chemical engineering ; Nanotechnology ; Organic chemistry ; Adsorption ; Chemistry Metal-Organic Frameworks: Synthesis and Applications ; Corrosion Behavior and Inhibition ; Magnesium Oxide Properties and Applications
Authors: Dmitry Snetkov | Maksim Luginin | Tatiana Gerasimova | Aleksandra Paderina | Elena V. Grachova
Source: Inorganic Chemistry (article, 2025-04-21)
Field: Materials Science — Materials Chemistry

Bis-alkynylphosphine Oxide Pt(II) Complexes: Aggregation-Induced Phosphorescence Enhancement and Mechanochromic Luminescence Properties Four bis-alkynyl Pt(II) complexes [Pt(dtbpy)(C<sub>2</sub>-L-P(O)Ph<sub>2</sub>)<sub>2</sub>] with <b>dtbpy</b> = 4,4'-ditertbutyl-2,2'-bipyridine and alkynylphosphine oxide ligands (L = no linker, <b>Pt0</b>; phenyl, <b>Pt1</b>; biphenyl, <b>Pt2</b>; naphthyl, <b>Pt3</b>) have been synthesized and fully characterized by spectroscopic methods and single crystal XRD analysis. It has been found that the nature of the π-conjugated linker is a key factor in fine-tuning the emission energy of the complexes in solution and in achieving the aggregation-induced phosphorescence enhancement (AIPE) effect for complex <b>Pt0</b> with the most compact linker. Phosphine oxide fragment, which can be involved in weak intermolecular interactions, promotes the existence of two solid forms with different luminescence properties. These two forms can be switched from one to another upon grinding, thus featuring distinct mechanochromic luminescence properties. TDDFT calculations are consistent with the experimental results and assign mixed <sup>3</sup>MLCT and <sup>3</sup>LL'CT solution emission character and <sup>3</sup>MMLCT and <sup>3</sup>LL'CT emission nature in supramolecular dimeric structures. Chemistry ; Phosphorescence ; Luminescence ; Aggregation-induced emission ; Photochemistry ; Oxide ; Luminescent Measurements ; Organic chemistry ; Fluorescence ; Optoelectronics ; Optics Luminescence and Fluorescent Materials ; Organic Light-Emitting Diodes Research ; Lanthanide and Transition Metal Complexes
Authors: Tapashi Sarmah | Soumik Pal | Debasish Barman | Debika Barman | Bithiah Grace Jaganathan | Parameswar Krishnan Iyer
Source: Advanced Optical Materials (article, 2025-01-28)
Field: Materials Science — Materials Chemistry

Tailoring Chain‐Length in Through‐Space Charge‐Transfer Donor‐σ‐Acceptor Multifunctional Emitters for Efficient Long‐Term Bioimaging Abstract This work presents a simple strategy to develop a new series of through‐space charge‐transfer (TSCT) donor–acceptor luminogens with varying alkyl chain lengths as spacer groups (D‐σ‐A), CznDPy [5‐(4‐(9H‐carbazol‐9‐yl) alkyl)‐5H‐pyrazino[2,3‐b] indole‐2,3‐dicarbonitrile] ( n = 2, 3, 4, and 5) displaying rare multifunctional optical behaviors of aggregation‐induced emission (AIE), thermally activated delayed fluorescence (TADF), aggregation‐induced delayed fluorescence (AIDF), mechanoluminescence (ML), and mechanochromism (MCL) properties. Fine‐tuning the flexible chain lengths between donor and acceptor results in variable intermolecular interactions and charge transfer (CT) behavior, thereby modulating their respective optical properties in aggregated/solid states. The integrated emitters exhibit a maximum total quantum yield of 85% with a prolonged lifetime of 344 µs. Considering the challenges existing for developing AIDF molecules with longer lifetimes, enhanced fluorescence efficiency, and tunable emission characteristics, their utility is emphasized for efficient long‐term bioimaging of human breast cancer cells up to 7 days. These molecules constitute the first examples of multifunctional organic TSCT AIDF small molecules with such long lifetimes, tunable emission colors, and higher fluorescence efficiency used for the diagnostic imaging of cancer cells. This study also sheds light on the structure‐property relationships and offers valuable insights into the new class of tailored optical materials for various applications. Materials science ; Acceptor ; Charge (physics) ; Term (time) ; Nanotechnology ; Chain (unit) ; Space charge ; Condensed matter physics Luminescence and Fluorescent Materials ; Molecular Junctions and Nanostructures ; Photoreceptor and optogenetics research
Authors: Jing Li | Lingling He | Weimin Xia | ChaoLing Du | Li He | Xiao Li | Caiyin You | Di Zhou
Source: Carbon (article, 2025-08-30)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Constructing heterogeneous interfaces of Ti3C2Tx MXene magnetic nanocomposites for efficient low-frequency microwave absorption performance Nanocomposite ; Materials science ; Microwave ; Absorption (acoustics) ; Composite material ; Optoelectronics ; Computer science ; Telecommunications Electromagnetic wave absorption materials ; Advanced Antenna and Metasurface Technologies ; Metamaterials and Metasurfaces Applications
Authors: Chang Lv | Tao Wang | Yuanwei Ding | Haiyan Li | Yulong Ying | Lvlv Ji | Weihao Cui | Lei Liu | Sheng Wang
Source: Chemical Engineering Journal (article, 2025-01-06)
Field: Materials Science — Surfaces, Coatings and Films

Advanced micro-textural engineering for the fabrication of high-performance superomniphobic surfaces Fabrication ; Materials science ; Nanotechnology ; Engineering drawing ; Engineering Surface Modification and Superhydrophobicity ; Electrohydrodynamics and Fluid Dynamics ; Electrospun Nanofibers in Biomedical Applications
Authors: Mattia Benini | A. V. Shumilin | V. V. Kabanov | R. K. Rakshit | Antarjami Sahoo | Anita Halder | Andrea Droghetti | Francesco Cugini | M. Solzi | D. Bisero | Patrizio Graziosi | Alberto Riminucci | I. Bergenti | Manju Singh | Luca Gnoli | S. Sanna | Mirko Cinchetti | T. Mertelj | Stefano Sanvito | V. Dediu
Source: Nature Communications (article, 2025-07-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Collapse of the standard ferromagnetic domain structure in hybrid Co/Molecule bilayers The interplay between Hund's coupling, exchange interaction and magnetic anisotropy is responsible for a multitude of magnetic phases, ranging from conventional ferromagnetism to exotic spin textures. Yet, engineering and fine-tuning a magnetic state remains a major challenge in modern magnetism. We show that the chemisorption of organic molecules over Co thin films offers a tool to transform the films from ferromagnetic to a glassy-type state. This emerges when the correlation length of the random anisotropy field, induced by the π-d molecule/metal hybridization, is comparable to the characteristic exchange length. Such a state is characterized by the collapse of the standard domain structure and the emergence of blurred pseudo-domains intertwined by diffuse and irregular domain walls. The magnetization reversal then involves topological vortex-like structures, which are here predicted and successfully measured by magnetic-force microscopy. At the macroscopic level this new glassy-type state is defined by a giant magnetic hardening and the violation of the magnetization-reversal Rayleigh law. Our work thus shows that the electronic interaction of a standard thin-film magnet with readily available molecules can generate structures with remarkable new magnetic properties, and thus opens a new avenue for the design of tailored-on-demand magnetic composites. Condensed matter physics ; Ferromagnetism ; Magnetic domain ; Magnetism ; Magnetization ; Superparamagnetism ; Remanence ; Magnetic anisotropy ; Materials science ; Magnetic force microscope ; Exchange bias ; Anisotropy ; Magnetic field ; Physics ; Optics Magnetism in coordination complexes ; Magnetic properties of thin films ; Advanced Condensed Matter Physics
Authors: Jie Chen | Wen Zeng | Huiyao Huang | Xiaoyu Lou | Song Chen | Changshen Ye | Zhixian Huang | Ting Qiu
Source: Separation and Purification Technology (article, 2025-02-07)
Field: Materials Science — Materials Chemistry

Tunable porosity and Hg (II) adsorption performance in dual heteroatom functionalized conjugated micro-mesoporous poly(aniline)s Heteroatom ; Mesoporous material ; Aniline ; Porosity ; Adsorption ; Conjugated system ; Chemical engineering ; Materials science ; Dual (grammatical number) ; Polymer chemistry ; Chemistry ; Organic chemistry ; Polymer ; Composite material ; Catalysis Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques
Authors: Barikara Shivaraj | S. Hareeshanaik | G. Vishnu | M.C. Prabhakara | H. S. Bhojya Naik
Source: Materials Science and Engineering B (article, 2025-01-31)
Field: Materials Science — Materials Chemistry

“Fabrication of Ce-doped ZnO nanorods as efficient materials for photocatalytic, bio-sensing and antibacterial applications” Nanorod ; Photocatalysis ; Fabrication ; Materials science ; Doping ; Nanotechnology ; Optoelectronics ; Chemistry ; Catalysis ZnO doping and properties ; Gas Sensing Nanomaterials and Sensors ; Quantum Dots Synthesis And Properties
Authors: Lu-Ming Zheng | Zhi Long | Feng Hu | Jiangtao Chan | Wan-Qi Shi | Ben Zhang | Zhaohui Wang | Quan‐Ming Wang
Source: Angewandte Chemie International Edition (article, 2025-04-16)
Field: Materials Science — Materials Chemistry

Solvent Induced Transformation of Homoleptic Alkynyl‐Protected Large Silver Nanoclusters Structural transformation of high-nuclearity nanoclusters is of significant interest because of its relevance to the formation mechanisms and stability of metal clusters. Herein, we report three large homoleptic alkynyl-protected silver nanoclusters, [Ag<sub>98</sub>(2-CH<sub>3</sub>C<sub>6</sub>H<sub>4</sub>C≡C)<sub>52</sub>](BF<sub>4</sub>)<sub>2</sub>, [Ag<sub>86</sub>(2-CH<sub>3</sub>C<sub>6</sub>H<sub>4</sub>C≡C)<sub>50</sub>](BF<sub>4</sub>)<sub>4</sub>, and [Ag<sub>74</sub>(2-CH<sub>3</sub>C<sub>6</sub>H<sub>4</sub>C≡C)<sub>44</sub>](BF<sub>4</sub>)<sub>2</sub>, synthesized from the same precursor 2-CH<sub>3</sub>C<sub>6</sub>H<sub>4</sub>C≡CAg via fine-tuning the reduction rate. X-ray crystallography demonstrates that Ino decahedral Ag<sub>13</sub> units serve as building blocks in all three nanoclusters. Remarkably, Ag<sub>98</sub> undergoes an intercluster transformation in methanol. It initially converts into Ag<sub>74</sub>, then Ag<sub>74</sub> reacts with Ag<sub>98</sub> to form Ag<sub>86</sub>, which eventually is transformed into the thermodynamically stable Ag<sub>74</sub>. Time-dependent electrospray ionization mass spectrometry (ESI-MS) confirms such a multi-step reaction process during the transformation, identifying Ag<sub>86</sub> as the key intermediate. Our findings not only provide new insights into the structural transformation pathways of nanoclusters but also enhance the understanding of transformation mechanisms, contributing to the rational synthesis of high-nuclearity nanoclusters. Nanoclusters ; Homoleptic ; Electrospray ionization ; Chemistry ; Metal ; Crystallography ; Mass spectrometry ; Organic chemistry Nanocluster Synthesis and Applications ; Pharmacological Effects and Toxicity Studies ; Random Matrices and Applications
Authors: Zuhao Li | Zhiruo Zhou | Kun Yang | Yifan Yao | Yaxin Zhai | Dong Wang | Zebing Zeng
Source: Chemical Science (article, 2025-01-01)
Field: Materials Science — Materials Chemistry

Dual-channel deep-NIR-emissive N-embedded PAHs with hybridized local and charge-transfer excited-state Polycyclic aromatic hydrocarbon (PAH) molecules have been extensively investigated, and they showcase excellent optoelectronic properties, which are promising for optical applications, including deep-penetration bioimaging and NIR lasers. However, constructing PAHs with deep-NIR (800-1700 nm) photoluminescence is a long-standing challenge, owing to the limitation of the energy gap law. Herein, three N-atom-doped PAHs APAH-a-c with electronic acceptor-donor-acceptor (A-D-A) configuration were produced <i>via</i> a facile sandwich-like <i>peri</i>-fusion pathway. On the basis of these three model molecules, their electronic characters and physicochemical properties were comprehensively studied by X-ray crystallographic analyses, various spectroscopic analyses and theoretical calculations. Our outcomes revealed that core-twisted APAH-b and APAH-c displayed unique dual-emission with reasonable photoluminescence quantum yield (PLQY) in low-polarity solvents, which were further red-shifted to ∼975 nm with increasing solvent-polarity due to their hybridized local and charge-transfer (HLCT) character. In sharp contrast, compound APAH-a with a planar π-skeleton did not show any charge-transfer (CT) character or fluorescent solvatochromism effect, indicating a synergistic effect of skeletal nonplanarity and electron-withdrawing N-doping for formation of an HLCT excited-state. Additionally, varying the π-configuration also gives rise to other differentials, such as aromaticity, band gap and open-shell characteristics. In conclusion, our findings offer a valid strategy for the development of deep-NIR-emissive PAH-derivatives <i>via</i> fine-tuning the geometrical structure of the π-framework. Excited state ; Charge (physics) ; Polycyclic aromatic hydrocarbon ; Molecule ; Penetration (warfare) ; Photochemistry ; Optoelectronics ; Hydrocarbon ; Materials science ; Solid-state ; Chemistry ; Atomic physics ; Physical chemistry ; Environmental chemistry ; Organic chemistry ; Physics Luminescence and Fluorescent Materials ; Organic Electronics and Photovoltaics ; Organic Light-Emitting Diodes Research
Authors: Umberto Contaldo | Paolo Santucci | Alexandra Vergnes | Philippe Leone | Jérôme Becam | Frédéric Biaso | Marianne Ilbert | Benjamin Ezraty | Élisabeth Lojou | Ievgen Mazurenko
Source: JACS Au (article, 2025-04-10)
Field: Materials Science — Materials Chemistry

How the Larger Methionine-Rich Domain of CueO from <i>Hafnia alvei</i> Enhances Cuprous Oxidation CueOs, members of the multicopper oxidase family, play a crucial role in bacterial copper detoxification. These enzymes feature a unique methionine-rich (Met-rich) domain, which is essential for the oxidation of Cu<sup>+</sup> to Cu<sup>2+</sup>. Recent studies using CueO from <i><i>Escherichia coli</i></i> (<i>Ec</i>CueO) suggest that the Met-rich domain facilitates Cu<sup>+</sup> recruitment from highly chelated species. To further explore this hypothesis, we produced and characterized a novel CueO from the bacterium <i>Hafnia alvei</i> (<i>Ha</i>CueO). <i>Ha</i>CueO possesses a significantly larger Met-rich domain than <i>Ec</i>CueO, providing new insights into the role of this domain in cuprous oxidase activity. We first showed that <i>Ha</i>CueO was as efficient in copper detoxification as <i>Ec</i>CueO in vivo. The structures of both wild-type <i>Ha</i>CueO and a variant lacking the Met-rich domain were resolved by X-ray crystallography and simulated by molecular dynamics, offering a detailed structural basis for understanding their functions. Cuprous oxidase activity was then quantified either from free electrogenerated Cu<sup>+</sup> with CueO immobilized on an electrode or from different Cu<sup>+</sup>-complexes with CueO in solution. These methods enabled the fine-tuning of Cu<sup>+</sup> chelation strength. Consistent with findings for <i>Ec</i>CueO, it was confirmed that the Met-rich domain of <i>Ha</i>CueO is dispensable for Cu<sup>+</sup> oxidation when weakly chelated Cu<sup>+</sup> is used. However, its role becomes crucial as chelation strength increases. Comparative analyses of cuprous oxidase activity between <i>Ha</i>CueO and <i>Ec</i>CueO revealed that <i>Ha</i>CueO outperforms <i>Ec</i>CueO, demonstrating superior efficiency in oxidizing Cu<sup>+</sup> from chelated forms. This enhanced activity correlates with the higher methionine content in <i>Ha</i>CueO, which appears to play a pivotal role in facilitating Cu<sup>+</sup> oxidation under conditions of stronger chelation. Hafnia ; Domain (mathematical analysis) ; Methionine ; Chemistry ; Crystallography ; Materials science ; Biochemistry ; Metallurgy ; Amino acid ; Mathematics Copper-based nanomaterials and applications ; Catalytic Processes in Materials Science ; ZnO doping and properties
Authors: Miao Yan | Yifan Liu | Xiaoqing Pei | Lin Fan | Lina Liu | Chun Li | Hai Lin | Shasha Li | Weiling Yang | Fanming Zeng | Zhong‐Min Su
Source: Journal of Alloys and Compounds (article, 2025-03-01)
Field: Materials Science — Materials Chemistry

A novel Gd3+-doping-induced enhancement of Sr2YF7: Dy3+ phosphor photoluminescence and thermal stability for white light-emitting diodes Phosphor ; Photoluminescence ; White light ; Thermal stability ; Doping ; Diode ; Materials science ; Optoelectronics ; Light-emitting diode ; Chemistry Luminescence Properties of Advanced Materials ; Inorganic Fluorides and Related Compounds ; Perovskite Materials and Applications
Authors: Sarah L. Griffin | Emily G. Meekel | Johnathan M. Bulled | Stefano Canossa | Alexander Wahrhaftig‐Lewis | Ella Schmidt | Neil R. Champness
Source: Nature Communications (article, 2025-04-03)
Field: Chemistry — Inorganic Chemistry

A lanthanide MOF with nanostructured node disorder Structural disorder can be used to tune the properties of functional materials and is an important tool that can be employed for the development of complex framework materials, such as metal-organic frameworks. Here we show the synthesis and structural characterization of a metal-organic framework, UoB-100(Dy). Average structure refinements indicate that the node is disordered between two orientations of the nonanuclear secondary building unit (SBU). By performing 3D diffuse scattering (DS) analysis and Monte Carlo (MC) simulations, we confirm the presence of strong correlations between the metal clusters of UoB-100(Dy). These nodes assemble into a complex nanodomain structure. Quantum mechanical calculations identify linker strain as the driving force behind the nanodomain structure. The implications of such a nanodomain structure for the magnetic, gas storage, and mechanical properties of lanthanide MOFs are discussed. Metal-organic framework ; Lanthanide ; Materials science ; Linker ; Node (physics) ; Monte Carlo method ; Characterization (materials science) ; Quantum ; Metal ; Nanotechnology ; Chemical physics ; Crystallography ; Chemistry ; Physics ; Physical chemistry ; Computer science Metal-Organic Frameworks: Synthesis and Applications ; Magnetism in coordination complexes ; Lanthanide and Transition Metal Complexes
Authors: Md Shariful Islam | Shreyase Kundu | Mst Samsunnahar | Tasmina Khandaker | Ahmed B. M. Ibrahim | Md Al-Amin Mia Anik | Md. Kamrul Hasan | Muhammad Sarwar Hossain
Source: Materials Advances (article, 2025-01-01)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Carbon gel materials: synthesis, structural design, and emerging applications in energy and environmental technologies Carbon-based gel materials have become a flexible class of porous materials with great promise for sustainable material innovations, energy storage, and environmental remediation. Carbon fibers ; Nanotechnology ; Materials science ; Biochemical engineering ; Environmental science ; Engineering ; Composite material Supercapacitor Materials and Fabrication ; Aerogels and thermal insulation
Authors: Russell M. Main | Aaron B. Naden | Morven J. Duncan | Russell E. Morris | Romy Ettlinger
Source: Inorganic Chemistry (article, 2025-02-05)
Field: Chemistry — Inorganic Chemistry

Dual-Action NO Delivery from One Mixed Metal Metal–Organic Framework Owing to their varied and controllable reticular chemistry, metal-organic frameworks (MOFs) represent excellent, structurally precise material platforms for creating multifunctional devices. This flexibility allows the design of MOFs to feature two different delivery mechanisms for the medicinal gas nitric oxide (NO) within one structure: a rapid, kinetic release of preadsorbed NO and subsequent continuous, catalytic generation of NO on exposure to a suitable substrate. In our approach, this was realized by preparing mixed metal MOF-74 analogues (also known as CPO-27) combining two metals, namely, nickel and copper. The introduction of 10 atom % nickel into Cu-MOF-74 provides a material platform with a number of excellent properties: (i) a high capacity of NO can be released with a moisture-triggered mechanism; (ii) the available copper sites allow the (potentially indefinite) catalytic generation of NO in the presence of S-nitrosoglutathione (GSNO), a store of NO in the human body; and (iii) it features prolonged material stability on exposure to phosphates. This material therefore shows great promise as part of the next generation of multifunctional MOF-based medicinal devices. Chemistry ; Dual (grammatical number) ; Metal ; Action (physics) ; Metal-organic framework ; Nanotechnology ; Environmental chemistry ; Organic chemistry ; Adsorption Metal-Organic Frameworks: Synthesis and Applications ; Catalytic Processes in Materials Science ; Gas Sensing Nanomaterials and Sensors