jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Yufeng Sun | Fei Qu | Rui Geng | Wanyue Xiao | Duohang Bi | Bijin Xiong | Yijing Liu | Jintao Zhu | Xiaoyuan Chen
Source: ACS Nano (article, 2024-11-04)
Field: Materials Science — Materials Chemistry

Electrostatic Assembly of Gold Nanoclusters in Reverse Emulsion Enabling Nanoassemblies with Tunable Structure and Size for Enhanced NIR-II Fluorescence Imaging The precise control of the assembly structure and size of gold nanoclusters (AuNCs) can potentially amplify their near-infrared II (NIR-II) fluorescence imaging and targeting properties. However, the conventional electrostatic assembly of AuNCs and charged molecules faces challenges in balancing the inherent electrostatic repulsions among charged units and regulating the diffusion of assembly units. These difficulties limit precise control over assembly size and structure, along with limited options for coassembled molecules, thereby restricting imaging properties and targeting capability. To circumvent this challenge, we developed a reverse emulsion-confined electrostatic assembly method. This technique efficiently constructs AuNC nanoassemblies with diverse coassembled molecules, allowing for the fine-tuning of assembly size and structure, including both core-satellite and homogeneous AuNC nanoassemblies. The development of two distinct nanoassemblies can be partially attributed to the varying diffusive rates of AuNCs or the AuNCs/polymer complex within the fused emulsion droplets. This variance arises from steric hindrances encountered during the emulsion fusion process. Interestingly, core-satellite nanoassemblies exhibit the strongest NIR-II fluorescence enhancement. Finally, the introduction of a hyaluronic acid coating on the surfaces of nanoassemblies with varying sizes enables the nanoprobes to achieve enhanced lymph node imaging through size modulation and macrophage targeting, which are used for surgical navigation to remove lymph node metastases. We envision that this self-assembly strategy can be extended to a wide range of electrostatic assembly systems for the development of multicomponent functional materials. Nanoclusters ; Fluorescence ; Materials science ; Nanotechnology ; Emulsion ; Chemical engineering ; Optics ; Physics Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Pickering emulsions and particle stabilization
Authors: Mengxia Song | Xiaojuan Jin | Lecheng Tian | Lei Liu | Huimin Feng | Juan Ding | Maryum Ali | Zhicai Xing | Han Shi-yu
Source: Materials Chemistry and Physics (article, 2024-05-24)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Electrochemical deposition of NiO/NiCo2O4 nanostructures for high-performance supercapacitors Non-blocking I/O ; Supercapacitor ; Electrochemistry ; Materials science ; Deposition (geology) ; Nanostructure ; Nanotechnology ; Chemical engineering ; Chemistry ; Electrode ; Engineering ; Catalysis ; Geology Supercapacitor Materials and Fabrication ; Advancements in Battery Materials ; Catalytic Processes in Materials Science
Authors: Ayesha Afrin | Chinna Ayya Swamy P
Source: Chemistry - A European Journal (article, 2024-11-26)
Field: Materials Science — Materials Chemistry

π‐Spacer Engineering: Driving Near‐infrared Aggregation Induced‐emission and Mechanofluorochromism in Carbazole‐biscyanostilbenes In this study, we report the design and synthesis of two novel carbazole-based bis-cyanostilbenes incorporating phenyl and thiophene π-spacer units to investigate their distinct impacts on photophysical properties. Notably, the thiophene-based derivative exhibits remarkable far-red/near-infrared (NIR) solid-state emission, with an emission peak at 732 nm, which shifts to 750 nm upon mechanical grinding, demonstrating pronounced mechanochromic fluorescence in the NIR region. Although its quantum yield is moderate, the ability to modulate its emission through mechanical stimuli opens exciting opportunities for stimuli-responsive NIR applications. Conversely, the phenyl-based analogue shows excellent solid-state emission at 596 nm, achieving significantly higher quantum yields, due to suppressing π-π interactions. Both compounds also exhibit strong AIE, with the thiophene system emitting at 730 nm and the phenyl-based analogue at 580 nm in the aggregate state. In addition to their optical properties, both derivatives demonstrate remarkable thermal stability and reversible MFC. These intriguing behaviors highlight the critical role of π-spacer engineering in fine-tuning solid-state emission, enhancing stimuli-responsive capabilities, and ensuring robust thermal performance. Overall, our findings provide valuable insights into the design of next-generation NIR-emissive materials, with promising potential for advancing applications in optoelectronics, bioimaging, and smart sensing technologies. Carbazole ; Materials science ; Thiophene ; Quantum yield ; Aggregation-induced emission ; Fluorescence ; Photochemistry ; Thermal stability ; Optoelectronics ; Nanotechnology ; Near-infrared spectroscopy ; Infrared ; Solid-state ; Chemistry ; Organic chemistry ; Physical chemistry ; Optics Luminescence and Fluorescent Materials ; Nanoplatforms for cancer theranostics ; Nonlinear Optical Materials Studies
Authors: Qianhong Wang | Keng Sang | Changwei Liu | Zhihua Zhang | Wenyao Chen | Te Ji | Lina Li | Cheng Lian | Gang Qian | Jing Zhang | Xinggui Zhou | Weikang Yuan | Xuezhi Duan
Source: Nature Communications (article, 2024-04-16)
Field: Materials Science — Materials Chemistry

Nanoparticles as an antidote for poisoned gold single-atom catalysts in sustainable propylene epoxidation The development of sustainable and anti-poisoning single-atom catalysts (SACs) is essential for advancing their research from laboratory to industry. Here, we present a proof-of-concept study on the poisoning of Au SACs, and the antidote of Au nanoparticles (NPs), with trace addition shown to reinforce and sustain propylene epoxidation. Multiple characterizations, kinetics investigations, and multiscale simulations reveal that Au SACs display remarkable epoxidation activity at a low propylene coverage, but become poisoned at higher coverages. Interestingly, Au NPs can synergistically cooperate with Au SACs by providing distinct active sites required for H<sub>2</sub>/O<sub>2</sub> and C<sub>3</sub>H<sub>6</sub> activations, as well as hydroperoxyl radical to restore poisoned SACs. The difference in reaction order between C<sub>3</sub>H<sub>6</sub> and H<sub>2</sub> (n<sub>C3H6</sub>-n<sub>H2</sub>) is identified as the descriptor for establishing the volcano curves, which can be fine-tuned by the intimacy and composition of SACs and NPs to achieve a rate-matching scenario for the formation, transfer, and consumption of hydroperoxyl. Consequently, only trace addition of Au NPs antidote (0.3% ratio of SACs) stimulates significant improvements in propylene oxide formation rate, selectivity, and H<sub>2</sub> efficiency compared to SACs alone, offering a 56-fold, 3-fold, and 22-fold increase, respectively, whose performances can be maintained for 150 h. Hydroperoxyl ; Catalysis ; Antidote ; Propylene oxide ; Selectivity ; Nanoparticle ; Chemistry ; Nanotechnology ; Nanoclusters ; Materials science ; Organic chemistry ; Toxicity ; Radical Catalytic Processes in Materials Science ; Catalysis and Oxidation Reactions ; Electrocatalysts for Energy Conversion
Authors: Li Liu | Rongyi Gao | E. Li | Chenggen Li | Yuan Dong | Ming Yang | Ting Zhu
Source: Journal of Catalysis (article, 2024-03-06)
Field: Chemistry — Organic Chemistry

Modulating metal-carrier interaction of high-loading Co-Al2O3-SiO2 catalysts for boosted N-propylcarbazole hydrogenation Catalysis ; Chemistry ; Adsorption ; Dispersion (optics) ; X-ray photoelectron spectroscopy ; Metal ; Nanoparticle ; Hydrogen ; Transition metal ; Inorganic chemistry ; Chemical engineering ; Physical chemistry ; Organic chemistry Nanomaterials for catalytic reactions ; Catalysis and Hydrodesulfurization Studies ; Asymmetric Hydrogenation and Catalysis
Authors: Yu Wang | Paul Paciok | Lukas Pielsticker | Wei Wang | Alexander Spriewald Luciano | Min Ding | Lorena Glatthaar | Walid Hetaba | Yanglong Guo | Jaime Gallego | Bernd Smarsly | Herbert Over
Source: Chemistry of Materials (article, 2024-06-11)
Field: Materials Science — Materials Chemistry

Microscopic Insight into Ruthenium Exsolution from LaFe<sub>0.9</sub>Ru<sub>0.1</sub>O<sub>3</sub> Perovskite Metal exsolution is a smart strategy that allows modification and enrichment of a material’s surface with highly active catalytic phases, thus offering the possibility to fine-tune the surface chemical composition. We study the exsolution of Ru from a perovskite solid solution LaFe0.9Ru0.1O3 (LFRO) to form Ru nanoparticles and their passivation by a conforming LaOx layer by applying a variety of in situ techniques, including TEM and XPS, in combination with ex situ infrared and Raman spectroscopy, but most notably by utilizing the catalytic propane combustion to probe the formation of the passivating LaOx layer. During the Ru exsolution process, Ru3+ in LFRO is reduced first to the Ruβ species and subsequently into a Ru0 species, evidencing the exsolution of Ru particle. The transformation of Ru3+ → Ruβ proceeds already below 300 °C and is correlated with the formation of oxygen vacancies under a reductive atmosphere. The subsequent transformation of Ruβ toward Ru0 needs at least a reduction temperature of 400 °C that is likely to be determined by the diffusion of Ru3+ from the near-surface region of LFRO toward the surface. Only above 600 °C ruthenium cations from the bulk of LFRO are exsolved, leading to the further growth of Ru particles. Around 600 °C, the exsolution of Ru particles is accompanied by the formation of a covering LaOx layer. We propose that La segregation and precipitation as surface LaOx are driven by the overstoichiometry of La in LFRO after Ru exsolution. Ruthenium ; Perovskite (structure) ; Materials science ; Crystallography ; Chemistry ; Catalysis Electronic and Structural Properties of Oxides ; Magnetic and transport properties of perovskites and related materials ; Advancements in Solid Oxide Fuel Cells
Authors: Kaili Shi | Honghao Su | Keke Liu | Yatao Zhang | Junyong Zhu
Source: Separation and Purification Technology (article, 2024-10-19)
Field: Chemistry — Inorganic Chemistry

Green room-temperature fabrication of phosphotungstic acid functionalized MOF-808 for efficient removal of cationic antibiotics Phosphotungstic acid ; Cationic polymerization ; Fabrication ; Chemistry ; Antibiotics ; Chemical engineering ; Organic chemistry ; Nanotechnology ; Materials science ; Catalysis ; Medicine ; Biochemistry ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Advanced Photocatalysis Techniques ; Chemical Synthesis and Reactions
Authors: Jingyuan Zhao | Wenzheng Yan | Zhaoxi Liu | Xiaobin Liu | Yapeng Tian | Xinwei Cui
Source: Nano Research (article, 2024-05-28)
Field: Materials Science — Materials Chemistry

Optimizing electronic structure of Mo2TiC2Tx MXene through Nb doping for enhanced electrochemical performance MXene is a promising electrode material for both high volumetric capacitance and high-rate performance in supercapacitors. However, the current study has mainly focused on the monometallic element Ti3C2Tx MXene until now, while the bimetallic and multimetallic MXene have received comparatively less attention. In this work, we demonstrate that the electronic structure of the Mo2TiC2Tx MXene could be regulated by fine-tuning the content of doped Nb atoms. The enhanced electron cloud density of surface–O termination and the electron spin of the Mo atoms in the Mo2TiC2Tx MXene, leads to the boost of electric double-layer capacitor (EDLC) and improvement of pseudocapacitance. As a consequence, the electrochemical performance of Nb-doped Mo2TiC2Tx MXene (Nb-0.3-MXene) demonstrates a capacitance of 398 F·cm−3, roughly doubling that of the pristine Mo2TiC2Tx MXene electrode at 197 F·cm−3 in the 3 M H2SO4 electrolyte. At the same time, the Nb-0.3-MXene could even maintain a capacitance of 82.75% at 200 mV·s−1, with high cyclic stability for 19,000 cycles at 10 A·g−1. Additionally, Nb-0.3-MXene-based hybrid supercapacitors deliver a remarkable volumetric energy density of 48.1 W·h·L−1 at 230.7 W·L−1, and 34.4 W·h·L−1 at a high power density of 82.6 kW·L−1. There exists a balance between the volumetric capacitance and rate performance with different ratios of Nb atoms in the Nb-doped MXene due to the strong interaction between the Nb-doped MXene and the intercalated protons. Therefore, optimizing the electronic structure of MXene through heteroatom doping is of great potential for enhanced supercapacitor performance. Doping ; Electrochemistry ; Materials science ; Nanotechnology ; Chemical engineering ; Optoelectronics ; Engineering physics ; Chemistry ; Physical chemistry ; Physics ; Electrode ; Engineering MXene and MAX Phase Materials ; Advanced Memory and Neural Computing ; Ferroelectric and Negative Capacitance Devices
Authors: Shuo Liu | Liang Zhang | Boyang Ma | Xiangyu Zeng | Yang Liu | Ma Zhi | Zongyin Yang | Xiaozhi Wang
Source: ACS Applied Materials & Interfaces (article, 2024-09-02)
Field: Materials Science — Materials Chemistry

High-Performance Ultraviolet to Near-Infrared Antiambipolar Photodetectors Based on 1D CdS<sub><i>x</i></sub>Se<sub>1–<i>x</i></sub>/2D Te Heterojunction Antiambipolar heterojunctions are regarded as a revolutionary technology in the fields of electronics and optoelectronics, enabling the switch between positive and negative transconductance within a single device, which is crucial for diverse logic circuit applications. This study pioneers a mixed-dimensional photodetector featuring antiambipolar properties, facilitated by the van der Waals integration of one-dimensional CdS<sub><i>x</i></sub>Se<sub>1-<i>x</i></sub> nanowires and two-dimensional Te nanosheets. This antiambipolar device enables flexible control over carrier transport via gate voltage, thus paving new paths for future optoelectronic devices. Furthermore, by precisely managing the stoichiometry of the ternary alloy CdS<sub><i>x</i></sub>Se<sub>1-<i>x</i></sub> nanowires, fine-tuning of the nanowire band structure is achieved. This allows for customizable heterojunction band alignment (Type I and Type II), enabling adjustable band alignment. Through sophisticated band engineering, optimal Type II band alignment is achieved at the CdS<sub><i>x</i></sub>Se<sub>1-<i>x</i></sub>/Te interface, significantly enhancing the device's photoelectric conversion efficiency through the synergistic effect of different dimensional materials. Exhibiting outstanding photoresponse across a broad spectral range from ultraviolet to near-infrared, especially under 450 nm illumination, the CdS<sub><i>x</i></sub>Se<sub>1-<i>x</i></sub>/Te heterojunction photodetector demonstrates superior performance, including an impressive responsivity of 284 A W<sup>-</sup><sup>1</sup>, a high detectivity of 1.07 × 10<sup>17</sup> Jones, an elevated external quantum efficiency of 7.83 × 10<sup>4</sup> %, and a swift response time of 11 μs. Ultimately, this customizable antiambipolar photodetector lays a solid foundation for the advancement of next-generation optoelectronic technologies. Photodetector ; Heterojunction ; Materials science ; Optoelectronics ; Responsivity ; Nanowire ; Ultraviolet ; Infrared ; Photoelectric effect ; Specific detectivity ; Quantum efficiency ; Band diagram ; Semiconductor ; Optics ; Physics 2D Materials and Applications ; Nanowire Synthesis and Applications ; MXene and MAX Phase Materials
Authors: Hao Ren | Jian Yuan | Yiming Li | Wenjing Li | Yihang Guo | Yibo Zhang | Binghao Wang | Kaili Ma | Peng Lü | Guping Hu | Wenqi Wang | Hailong He | Lien‐Yang Chou | Ming‐Hua Zeng | Yue‐Biao Zhang | Lin Cheng
Source: ACS Central Science (article, 2024-01-18)
Field: Chemistry — Inorganic Chemistry

Highly Enantioselective Catalysis by Enzyme Encapsulated in Metal Azolate Frameworks with Micelle-Controlled Pore Sizes Encapsulating enzymes within metal-organic frameworks has enhanced their structural stability and interface tunability for catalysis. However, the small apertures of the frameworks restrict their effectiveness to small organic molecules. Herein, we present a green strategy directed by visible linker micelles for the aqueous synthesis of MAF-6 that enables enzymes for the catalytic asymmetric synthesis of chiral molecules. Due to the large pore aperture (7.6 Å), double the aperture size of benchmark ZIF-8 (3.4 Å), MAF-6 allows encapsulated enzyme BCL to access larger substrates and do so faster. Through the optimization of surfactants' effect during synthesis, BCL@MAF-6-SDS (SDS = sodium dodecyl sulfate) displayed a catalytic efficiency (<i>K</i><sub>cat</sub>/<i>K</i><sub>m</sub>) that was 420 times greater than that of BCL@ZIF-8. This biocomposite efficiently catalyzed the synthesis of drug precursor molecules with 94-99% enantioselectivity and nearly quantitative yields. These findings represent a deeper understanding of de novo synthetic encapsulation of enzyme in MOFs, thereby unfolding the great potential of enzyme@MAF catalysts for asymmetric synthesis of organics and pharmaceuticals. Enantioselective synthesis ; Micelle ; Catalysis ; Chemistry ; Materials science ; Metal ; Chemical engineering ; Combinatorial chemistry ; Nanotechnology ; Organic chemistry ; Engineering Metal-Organic Frameworks: Synthesis and Applications ; Supramolecular Self-Assembly in Materials ; Surface Chemistry and Catalysis
Authors: Eike B. Bauer
Source: Molecules (review, 2024-11-23)
Field: Chemistry — Organic Chemistry

Recent Catalytic Applications of Ferrocene and Ferrocenium Cations in the Syntheses of Organic Compounds Ferrocene and its oxidized counterpart, the ferrocenium cation, represent a fascinating class of organometallic compounds with broad utility across various fields, including organic synthesis, pharmaceuticals, and materials science. Over the years, ferrocene, ferrocenium cations, and their derivatives have also gained prominence for their versatility in catalytic processes. This review article offers an overview of the research of the last decade into ferrocene- and ferrocenium-based catalysis. Key developments are highlighted in catalytic oxidation, cross-coupling, polymerization reactions, and redox-switchable catalysis, as well as the application of ferrocenium cations as Lewis acid catalysts. Ferrocene ; Chemistry ; Catalysis ; Metallocene ; Polymerization ; Lewis acids and bases ; Combinatorial chemistry ; Organic chemistry ; Lewis acid catalysis ; Redox ; Polymer chemistry ; Electrochemistry ; Polymer Catalytic Cross-Coupling Reactions ; Chemical Synthesis and Analysis ; Chemical Synthesis and Reactions
Authors: David Boucher | Sidonie Laviéville | Vincent Ladmiral | Claire Négrell | E. Leclerc
Source: Macromolecules (article, 2024-01-20)
Field: Chemistry — Organic Chemistry

Hemiacetal Esters: Synthesis, Properties, and Applications of a Versatile Functional Group The present perspective provides an overview of the hemiacetal ester (HAE) chemical functionality and its use in organic synthesis and polymer science. The objective is to expose the high potential of the HAE functionality in both molecular and macromolecular chemistry through highlighting its rich and peculiar reactivity and describing the achievements in polymer chemistry involving this group. We present a summary of the different synthetic routes described so far to produce HAEs, whether this led to linear or cyclic compounds. We also outline the very rich and complex reactivity of the HAE functional group through a thorough description of its dissociation under a thermal or ionic stimulus, its hydrolysis/alcoholysis susceptibility, and its ability to undergo exchange reactions. Finally, the successful use of HAEs for various applications in organic and polymer chemistry is also described, including, but not limited to, their use as protecting groups, initiators of polymerization, building blocks in polymer synthesis, or exchangeable linkages in covalent adaptable networks. Chemistry ; Reactivity (psychology) ; Polymer ; Macromolecule ; Dynamic covalent chemistry ; Organic synthesis ; Organic chemistry ; Polymerization ; Combinatorial chemistry ; Dissociation (chemistry) ; Hemiacetal ; Hydrolysis ; Covalent bond ; Polymer chemistry ; Molecule ; Supramolecular chemistry ; Catalysis Synthetic Organic Chemistry Methods ; Advanced Polymer Synthesis and Characterization ; Innovative Microfluidic and Catalytic Techniques Innovation
Authors: Arunachalam Sagadevan | Kathiravan Murugesan | Osman M. Bakr | Magnus Rueping
Source: Chemical Communications (review, 2024-01-01)
Field: Materials Science — Materials Chemistry

Copper nanoclusters: emerging photoredox catalysts for organic bond formations Advancements in fine chemical synthesis and drug discovery continuously demand the development of new and more efficient catalytic systems. In this regard, numerous transition metal-based catalysts have been developed and successfully applied in industrial processes. However, the need for innovative catalyst systems to further enhance the efficiency of chemical transformations and industrial applications persists. Metal nanoclusters (NCs) represent a distinct class of ultra-small nanoparticles (<3 nm) characterized by a precise number of metal atoms coordinated with a defined number of ligands. This structure confers abundant unsaturated active sites and unique electronic and optical properties, setting them apart from conventional nanoparticles or bulk metals. The well-defined structure and monodisperse nature of NCs make them particularly attractive for catalytic applications. Among these, copper-based nanoclusters have emerged as versatile and sustainable catalysts for challenging organic bond-forming reactions. Their unique properties, including natural abundance, accessible oxidation states, diverse ligand architectures, and strong photophysical characteristics, contribute to their growing prominence in this field. In this review, we discuss the photocatalytic activities of Cu-based nanoclusters, focusing on their applications in cross-coupling reactions (C-C and C-N), click reactions, multicomponent couplings, and oxidation reactions. Nanoclusters ; Copper ; Catalysis ; Photocatalysis ; Bond ; Feature (linguistics) ; Nanotechnology ; Materials science ; Photochemistry ; Chemical engineering ; Chemistry ; Metallurgy ; Organic chemistry ; Business ; Engineering Nanocluster Synthesis and Applications ; Gold and Silver Nanoparticles Synthesis and Applications ; Advanced Nanomaterials in Catalysis