jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Ke Xu | Robert Oestreich | Takin Haj Hassani Sohi | Mailis Lounasvuori | Jean G. A. Ruthes | Yunus Zorlu | Philipp Seiffert | Till Strothmann | Patrik Tholen | Markus Suta | Volker Presser | Tristan Petit | Christoph Janiak | Jens Beckmann | Jörn Schmedt auf der Günne | Gündoğ Yücesan
Source: ChemRxiv (preprint, 2024-02-11)
Field: Materials Science — Materials Chemistry

Pyrophosphonate Covalent Organic Frameworks Herein, we report a new family of covalent organic frameworks (COFs), namely pyrophosphonate-COFs, constructed via pyrophosphonate linkages. Pyrophosphonate-COFs can be synthesized via a single-step condensation reaction of the charge-assisted hydrogen-bonded organic framework (HOF) GTUB5, which is constructed from phenylphosphonic acid and 5,10,15,20‐tetrakis[p‐phenylphosphonic acid] porphyrin. The reported pyrophosphonate-COF, which we call GTUB5-COF was synthesized by simply heating its two-linker HOF precursor GTUB5 without using chemical reagents. GTUB5-COF exhibits good water and water vapor stability during the gas sorption measurements. Furthermore, GTUB5-COF exhibits exceptional electrochemical stability in 0.5 M Na2SO4 electrolyte in water. The formation of pyrophosphonate bonds upon heating was confirmed by magic angle spinning nuclear magnetic resonance spectroscopy, Fourier-transform infrared spectroscopy, and mass spectrometry coupled with thermal analysis. The condensed product pyrophosphonate-COF can efficiently adsorb CO2. It has a more favorable heat of adsorption value for CO2 capture at lower pressures than water vapor, making it a suitable candidate for selective CO2 capture in the presence of water vapor. The absorption and emission of GTUB5-COF are governed by localized transitions (Soret and Q bands) within the porphyrin unit, which results in broad-banded fluorescence in the near-infrared range at around 800 nm. Covalent organic framework ; Thermal stability ; Covalent bond ; Magic angle spinning ; Infrared spectroscopy ; Sorption ; Fourier transform infrared spectroscopy ; Adsorption ; Chemistry ; Materials science ; Chemical engineering ; Physical chemistry ; Organic chemistry ; Nuclear magnetic resonance spectroscopy Covalent Organic Framework Applications ; Metal-Organic Frameworks: Synthesis and Applications ; Porphyrin and Phthalocyanine Chemistry
Authors: Niloofar Tavakoli | Hamid Arvinnezhad | Shiva Majidian | Mahsa Mahramasrar | Khosrow Jadidi | Saadi Samadi
Source: Heliyon (article, 2024-10-30)
Field: Materials Science — Materials Chemistry

Chiral amido-oxazoline functionalized MCM-41: A sustainable heterogeneous catalyst for enantioselective Kharasch–Sosnovsky and Henry reactions In this study, a series of chiral amido-oxazoline ligands was synthesized with a primary focus on immobilizing the most effective ligands on MCM-41 mesoporous material. Following several attempts, the <i>para</i>-nitro group of the chiral amido-oxazoline ligands was successfully reduced to amino group, enabling their immobilization on MCM-41. The resulting chiral heterogeneous amido-oxazoline ligands were characterized using various techniques, including FT-IR, XRD, TGA, SEM, TEM, EDX, and BET-BJH, confirming the successful immobilization of the amido-oxazoline ligands. A comparison of the efficiency of the homogeneous and heterogeneous amido-oxazoline-based ligands in the Kharasch-Sosnovsky and Henry reactions revealed better performance of the heterogeneous ligand. The immobilized amido-oxazoline-copper complexes exhibited remarkable catalytic activity, achieving excellent yields and enantioselectivities (up to 88 % <i>ee</i>) in the Kharasch-Sosnovsky reaction, and delivering excellent yields with moderate enantioselectivities in the Henry reaction. Notably, the Henry reaction proceeded with moderate diastereoselectivity, favoring the <i>syn</i> diastereomer, under solvent-free conditions, highlighting the sustainability of the process. The heterogeneous nature of the catalysts facilitated effortless recovery and efficient reusability. Enantioselective synthesis ; Oxazoline ; Catalysis ; Chemistry ; Organic chemistry ; Organocatalysis ; Combinatorial chemistry Mesoporous Materials and Catalysis ; Chemical Synthesis and Reactions ; Chemical Synthesis and Analysis
Authors: Yen-An Young | Huong T. H. Nguyen | Hieu D. Nguyen | Tuhin Ganguly | Yennie H. Nguyen | Loi H.
Source: Dalton Transactions (article, 2024-01-01)
Field: Chemistry — Inorganic Chemistry

A ratiometric substrate for rapid evaluation of transfer hydrogenation efficiency in solution A cyclometalated iridium(III) complex bearing a self-immolative quinolinium moiety was developed as a ratiometric substrate for transfer hydrogenation studies. This photoluminescent probe allowed the rapid screening of a variety of Ir catalysts using a microplate reader, offering a convenient method to assess activity using a minimum amount of catalyst sample. Iridium ; Transfer hydrogenation ; Moiety ; Substrate (aquarium) ; Catalysis ; Chemistry ; Combinatorial chemistry ; Nanotechnology ; Photochemistry ; Materials science ; Organic chemistry ; Ruthenium Asymmetric Hydrogenation and Catalysis ; Nanomaterials for catalytic reactions ; Chemical Synthesis and Analysis
Authors: Jorge Hernández-Fernández | N. Tiempos-Flores | Mario Ordóñez | Verónica M. Rivas-Galindo | Susana López-Cortina | Katia Guadalupe García-Alvarez | Eugenio Hernandez‐Fernandez
Source: ACS Omega (article, 2024-09-17)
Field: Chemistry — Organic Chemistry

Microwave-Assisted Hydrolysis of Ethyl Azolylacetates and Cinnamates with K<sub>2</sub>CO<sub>3</sub>: Synthesis of Potassium Carboxylates In this study, the hydrolysis of ethyl azolylacetates and ethyl cinnamates using K<sub>2</sub>CO<sub>3</sub>/ethanol under microwave irradiation was developed. For this purpose, ethyl azolylacetates were first synthesized by nucleophilic substitution between the corresponding azole and ethyl bromoacetate under sonication at 50 °C for 3 h, yielding derivatives with 10-92% chemical yields, while ethyl cinnamates were obtained by a microwave-assisted Horner-Wadsworth-Emmons (HWE) reaction of triethyl phosphonoacetate with a variety of aryl aldehydes at 140 °C for 20 min, yielding derivatives with moderate to high yields (67-98%). Initially, the optimization of the hydrolysis reaction was performed using ethyl pyrazolylacetate as a model starting material while varying the temperature, time, and base equivalents; the best results were achieved by carrying out the reaction at 180 °C for 20 min with 3.0 eq of K<sub>2</sub>CO<sub>3</sub>. This simple and greener method facilitated the synthesis of potassium carboxylates in moderate to high yields, 80-98% for azolyl derivatives and 73-98% for cinnamate derivatives. The structures of all potassium carboxylates were confirmed by FTIR, <sup>1</sup>H, <sup>13</sup>C NMR, and HRMS. Cinnamates ; Potassium ; Hydrolysis ; Chemistry ; Microwave ; Nuclear chemistry ; Organic chemistry ; Inorganic chemistry Microwave-Assisted Synthesis and Applications ; Chemical Synthesis and Analysis ; Multicomponent Synthesis of Heterocycles
Authors: Seung Hyun Kim | Nanasaheb M. Shinde | Young-Eun Yun | Jeom-Soo Kim
Source: Batteries (article, 2024-12-22)
Field: Materials Science — Materials Chemistry

A Novel Bifunctional Surface Coating Method to Effectively Eliminate Residual Li on NCM811 by Using Uniformly Dispersed Metal Oxide Solution A uniformly coating transition metal oxide solution (TS-M) was developed to simultaneously remove residual Li compounds (RLCs) and stabilize the surface of NCM811 material. XRD analysis revealed that the synthesized cathode samples (TS-M, where M = Ti, Ge, Sn) exhibited hexagonal α-NaFeO2 structures without impurity phases. FE-SEM and EDX results confirmed the formation of a uniform metal oxide coating (TS-Ti, TS-Ge: and TS-Sn) on the surface of NCM811, demonstrating its potential as a high-performance cathode material for lithium-ion batteries (LIBs). Among the treated samples, the TS-Sn sample delivered an excellent discharge capacity of 172.4 mAh g−1 with a retention of 90.4% after 50 cycles at a 1.0 C rate, outperforming the TS-Ge and TS-Ti samples. Electrochemical impedance spectroscopy (EIS) further validated the improved impedance of NCM samples after Ti, Ge, and Sn coatings. Based on these findings, the application of Ti, Ge, and Sn metal oxide coatings to NCM811 is considered a reliable surface modification strategy for enhancing electrochemical performance by eliminating RLCs and stabilizing the surface. Bifunctional ; Coating ; Materials science ; Oxide ; Metal ; Chemical engineering ; Residual ; Composite material ; Metallurgy ; Chemistry ; Computer science ; Organic chemistry ; Catalysis Fusion materials and technologies ; Nuclear Materials and Properties ; Muon and positron interactions and applications
Authors: Emre Yılmazoğlu
Source: Journal of the Turkish Chemical Society Section A Chemistry (article, 2024-08-04)
Field: Materials Science — Materials Chemistry

Digital Image Colorimetric Detection of H2O2 Utilizing PEG/Ag/AgO Nanoparticles Derived from Tangerine Leaf Extract Recent developments in biosensors based on digital platforms have primarily focused on enhancing rapid detection, flexibility, and selectivity through the utilization of nanomaterials. Despite these advances, the complexity of image colorimetric measurements continues to be a subject of interest. This study focused on the development of a new digital image colorimetric biosensor for real-time quantification of hydrogen peroxide (H2O2). The designed nanostructure-based sensor showed excellent selectivity and sensitivity, utilizing polyethylene glycol/Silver/Silver(II) oxide nanoparticles obtained from tangerine leaf extract (TLE/PEG/Ag/AgO NPs). The sensor's performance was validated using Ag/AgO NPs derived from tangerine leaf extract (TLE), demonstrating remarkable selectivity and sensitivity using a Red-Green-Blue (RGB)--based approach. Based on digital image colorimetric measurements of TLE/PEG/Ag/AgO NPs, a system for determining H2O2 was established in a linear range of 2.0–100.0 μmol/L with a low limit of detection (LOD) of 1.82 μmol/L. This study not only presented a facile strategy for the design of the digital image colorimetric TLE/PEG/Ag/AgO NPs-based biosensor but also shed light on the remarkable potential of smartphone sensing devices based on nanosensor technology. These sensors offer fresh perspectives and multidisciplinary approaches to visually sensitive sensing in a range of applications, such as biomedical diagnostics, security screening, and environmental monitoring. Chemistry ; Detection limit ; Nanotechnology ; Nanomaterials ; Colorimetry ; Linear range ; Nanosensor ; Polyethylene glycol ; Silver nanoparticle ; RGB color model ; Biosensor ; PEG ratio ; Nanoparticle ; Selectivity ; Chromatography ; Materials science ; Computer science ; Organic chemistry ; Biochemistry ; Artificial intelligence Advanced Nanomaterials in Catalysis ; Biosensors and Analytical Detection ; Electrochemical sensors and biosensors
Authors: Liang Zhao | Jichao Fan | Chenchi Gong | Alexis Dyke | Weilu Gao | Bo Li
Source: arXiv (Cornell University) (review, 2024-01-17)
Field: Materials Science — Materials Chemistry

A critical review on recent progress of solution-processed monolayer assembly of nanomaterials and applications The rapid development in nanotechnology has necessitated accurate and efficient assembly strategies for nanomaterials. Monolayer assembly of nanomaterials (MAN) represents an extreme challenge in manufacturing and is critical in understanding interactions among nanomaterials, solvents, and substrates. MAN enables highly tunable performance in electronic and photonic devices. This review summarizes the recent progress on the methods to achieve MAN and discusses important control factors. Moreover, the importance of MAN is elaborated by a broad range of applications in electronics and photonics. In the end, we outlook the opportunities as well as challenges in manufacturing and new applications. Nanotechnology ; Nanomaterials ; Electronics ; Photonics ; Monolayer ; Materials science ; Computer science ; Engineering ; Electrical engineering Quantum Dots Synthesis And Properties ; Photonic Crystals and Applications ; Gold and Silver Nanoparticles Synthesis and Applications
Authors: Rolando Efraín Ramírez Garza | S.L.R. De Luna | Idalia Gómez
Source: Heliyon (article, 2024-05-23)
Field: Materials Science — Materials Chemistry

Photoluminescence research of the graphene quantum dots (GQD) interaction on the zinc oxide (ZnO) surface for application as H2O2 photosensor Photoluminescence (PL) spectroscopy is one of the best methods to detect molecules due to its easiness, fast time of analysis and high sensitivity. In addition, zinc oxide (ZnO) possesses good optical properties and particularly PL emission in these materials have been exploited for their potential use as photocatalyst, light harvesting and photosensor. These PL properties enhance when graphene quantum dots (GQD) are added to ZnO. For these reasons, we investigated the PL performance of ZnO-GQD nanocomposites. In one experiment we evaluated the PL emission of solid samples ZnO and ZnO-GQD. In a second experiment, these samples were also evaluated in aqueous phase to investigate the H<sub>2</sub>O<sub>2</sub> effect during an experiment lasting 170 minutes. Both experiments displayed six peaks and they were related to the same PL emission source. The PL emission peak around 415 nm was found to be principal source where GQD are interacting. By varying the GQD amount to low, medium, and high concentration, the effect of H<sub>2</sub>O<sub>2</sub> acted consequently, altering the PL emission during experiment in aqueous phase. An oxygen rich environment (ORE) occurred due to H<sub>2</sub>O<sub>2</sub> which oxides the ZnO surface. Low GQD concentration resulted affected by an ORE weakening the GQD-ZnO contact, decreasing PL emission. In high GQD concentration, H<sub>2</sub>O<sub>2</sub> induced GQD to reach the ZnO surface, increasing the PL emission. Only medium GQD concentration prevented oxidation of ZnO and maintained the PL emission intensity constant. When H<sub>2</sub>O<sub>2</sub> concentration increased, for the medium GQD concentration, an excess of charge by peroxides inhibited the charge transfer from GQD to ZnO. This inhibition produces a quenching of the PL emission. Graphene ; Photoluminescence ; Zinc ; Photodetector ; Materials science ; Quantum dot ; Optoelectronics ; Oxide ; Nanotechnology ; Wide-bandgap semiconductor ; Metallurgy Carbon and Quantum Dots Applications ; Quantum Dots Synthesis And Properties ; ZnO doping and properties
Authors: Mingtao Zhang | Yu Li | Guangmeng Ma | Fawei Guo | Haixin Wu | Han Wu | Qingxin Jin | Xin Luo | Chunyi Luo | Jiaqi Li | Yu Long
Source: Materials Futures (article, 2024-07-31)
Field: Materials Science — Materials Chemistry

Recent advances in 3D-printable aggregation-induced emission materials Abstract Aggregation-induced emission (AIE) materials exhibit remarkable emission properties in the aggregated or solid states, offering numerous advantages such as high quantum yield, excellent photostability, and low background signals. These characteristics have led to their widespread application in optoelectronic devices, bio-detection markers, chemical sensing, and stimuli-responsive applications among others. In contrast to traditional manufacturing processes, 3D printing (3DP) enables rapid prototyping and large-scale customization with excellent flexibility in manufacturing techniques and material selection. The combination of AIE materials with 3DP can provide new strategies for fabricating materials and devices with complex structures. Therefore, 3DP is an ideal choice for processing AIE organic luminescent materials. However, 3DP of AIE materials is still in the early stages of development and is facing many challenges including limited printable AIE materials, poor printing functionalities and limited application range. This review aims to summarize the significant achievements in the field of 3DP of AIE materials. Firstly, different types of AIE materials for 3DP are studied, and the factors that affect the printing effect and the luminescence mechanism are discussed. Then, the latest advancements made in various application domains using 3D printed AIE materials are summarized. Finally, the existing challenges of this emerging field are discussed while the future prospects are prospected. Aggregation-induced emission ; Nanotechnology ; Materials science ; Environmental science ; Physics ; Optics Catalytic Processes in Materials Science
Authors: Miriam Leffler | Jared Fee | Seth March | Yang Wu | Steven L. Suib
Source: RSC Advances (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Part II: superconductivity observed in magnetically separated nanoscale anatase titania at ambient temperature and pressure in an aqueous environment at its point of zero charge This is the first work to investigate if and/or how changes in the surface structure/properties affect the charge transfer resistance (<i>R</i> <sub>CT</sub>) of anatase titania with decreasing particle size. It was accomplished by measuring the <i>R</i> <sub>CT</sub> (Ω) of same weight anatase titania pellets, with particle sizes ranging from 5.31 nm to 142.61 nm. Measurements were made using Electrochemical Impedance Spectroscopy (EIS) at each material's point of zero charge (PZC). Results demonstrated two regions of <i>R</i> <sub>CT</sub>. Above an average primary particle diameter of 23.54 nm, <i>R</i> <sub>CT</sub> remained essentially constant. Below, this diameter the <i>R</i> <sub>CT</sub> value first increased significantly, then decreased almost linearly toward zero. The projected average primary particle diameter where the materials <i>R</i> <sub>CT</sub> was projected to reach zero resistance is at a diameter of approximately 4.39 nm. A simple test was then developed to determine if at a small enough particle size the material would be affected by an external magnetic field. It was found that a sample with an average particle diameter of 12.689 nm, formed fine needles/threads of particles in deionized water, perpendicular to the settled powder at the base of the potash tube. This led to the development of a simple magnetic separation method to obtain strongly diamagnetic material from a parent population with an average primary particle diameter of 5.31 nm. A pellet consisting of these magnetically separated particles was then pressed at the same weight and pressure as the prior samples. The pellet's <i>R</i> <sub>CT</sub> was then measured using EIS under the identical conditions as the prior samples. EIS results of the magnetically separated particles in pellet form, under multiple conditions, resulted in Nyquist plots indicating the material exhibited no detectable <i>R</i> <sub>CT</sub> (<i>i.e.</i>, superconductivity). Correlation of the shift in the materials <i>R</i> <sub>CT</sub> with known structure/property changes for each sample with decreasing particle size allowed the development of a model explaining: (1) the significant increase in diamagnetic strength of the magnetically separated particles and (2) the mechanism controlling the material's <i>R</i> <sub>CT</sub>. Anatase ; Nanoscopic scale ; Superconductivity ; Charge (physics) ; Aqueous solution ; Point of zero charge ; Materials science ; Ambient pressure ; Condensed matter physics ; Particle (ecology) ; Particle size ; Chemical physics ; Chemical engineering ; Thermodynamics ; Chemistry ; Nanotechnology ; Physical chemistry ; Physics ; Organic chemistry ; Quantum mechanics Electronic and Structural Properties of Oxides ; TiO2 Photocatalysis and Solar Cells ; Electrochemical Analysis and Applications
Authors: Santi Febri Arianti
Source: Global International Journal of Innovative Research (article, 2024-10-04)
Field: Chemistry — Inorganic Chemistry

Advancements in Green Chemical Engineering: Developing Sustainable Catalysts for Carbon Capture and Utilization The development of sustainable catalysts for carbon capture and utilization (CCU) represents a pivotal advancement in green chemical engineering, addressing both climate change and resource scarcity. This study utilizes a qualitative approach, specifically employing literature review and library research methods, to analyze recent advancements in catalyst development for CCU technologies. The analysis highlights the growing emphasis on designing catalysts that are not only efficient but also eco-friendly, with a focus on minimizing environmental impact. By examining various catalytic processes, including chemical absorption, photocatalysis, and electrochemical reduction, this research identifies key strategies for enhancing the effectiveness and sustainability of CCU systems. The findings reveal that while significant progress has been made in improving catalyst performance, challenges remain in scaling up these technologies for industrial applications. Moreover, this study underscores the role of green chemical engineering in fostering a circular economy by converting captured carbon dioxide into valuable products such as fuels and chemicals. Future research should focus on overcoming existing limitations, including catalyst stability and cost-effectiveness, to ensure broader adoption of sustainable CCU technologies. This review contributes to the growing body of knowledge on sustainable chemical processes and offers a roadmap for advancing green engineering practices. Carbon fibers ; Catalysis ; Environmental science ; Business ; Nanotechnology ; Biochemical engineering ; Materials science ; Engineering ; Chemistry ; Organic chemistry Zeolite Catalysis and Synthesis ; Catalytic Processes in Materials Science ; Inorganic and Organometallic Chemistry
Authors: Nicolás Amigo
Source: Computers, materials & continua/Computers, materials & continua (Print) (article, 2024-01-01)
Field: Materials Science — Materials Chemistry

Mechanical Properties of Copper with Dendritic Silver Inclusions: Insights from Molecular Dynamics Simulations This study explores the mechanical behavior of single-crystal copper with silver inclusions, focusing on the effects of dendritic and spherical geometries using molecular dynamics simulations. Uniaxial tensile tests reveal th... | Find, read and cite all the research you need on Tech Science Press Molecular dynamics ; Copper ; Dynamics (music) ; Materials science ; Nanotechnology ; Chemical physics ; Chemistry ; Metallurgy ; Physics ; Computational chemistry Microstructure and mechanical properties ; Copper Interconnects and Reliability ; Aluminum Alloys Composites Properties
Authors: Qin Chen | Xingxing Jiang | Zheshuai Lin
Source: Inorganic Chemistry Frontiers (article, 2024-12-09)
Field: Materials Science — Materials Chemistry

Flexibility index: a general descriptor of polarization ability in crystalline materials The flexibility index, previously proposed to clarify the structural origin of second-order nonlinear optical responses, is demonstrated to be a general descriptor to characterize polarizability-relevant properties. Polarization (electrochemistry) ; Flexibility (engineering) ; Index (typography) ; Materials science ; Crystallography ; Computer science ; Mathematics ; Chemistry ; Physical chemistry ; Statistics ; World Wide Web Solid-state spectroscopy and crystallography